Escolar Documentos
Profissional Documentos
Cultura Documentos
DETAILED LOW T AND HIGH T MECHANISM FOR SPECIES UP TO C12 + Xylenes (XYLENE)
!
!5/20/2012
!Version:Xylene+C12_v1.mech
!Authors:M. Mehl, M. Sarathy, C. Westbrook, W. Pitz
!LLNL
ELEMENTS
C H N O AR HE
END
SPECIES
H H2 O O2 OH
H2O N2 HO2 H2O2 AR
CO CO2 CH2O HCO HO2CHO
O2CHO HOCHO OCHO HOCH2O2H HOCH2O2
OCH2O2H HOCH2O CH3OH CH2OH CH3O
CH3O2H CH3O2 CH4 CH3 CH2
CH2(S) C CH C2H6 C2H5
C2H4 C2H3 C2H2 C2H CH3CHO
CH3CO CH2CHO CH2CO HCCO HCCOH
CH3CO3H CH3CO3 CH3CO2 C2H5OH C2H5O
PC2H4OH SC2H4OH O2C2H4OH C2H5O2H C2H5O2
C2H4O2H C2H4O1-2 C2H3O1-2 CH3COCH3 CH3COCH2
CH3COCH2O2 CH3COCH2O2H CH3COCH2O C2H3CHO C2H3CO
C2H5CHO C2H5CO CH3OCH3 CH3OCH2 CH3OCH2O2
CH2OCH2O2H CH3OCH2O2H CH3OCH2O O2CH2OCH2O2H HO2CH2OCHO
OCH2OCHO HOCH2OCO CH3OCHO CH3OCO CH2OCHO
HE C3H8 IC3H7 NC3H7 C3H6
C3H5-A C3H5-S C3H5-T C3H4-P C3H4-A
C3H3 C3H2 C3H5O C3H6OOH1-2 C3H6OOH1-3
C3H6OOH2-1 C3H6OOH1-2O2 C3H6OOH1-3O2 C3H6OOH2-1O2 C3H6OOH2-2
NC3H7O2H IC3H7O2H NC3H7O2 IC3H7O2 NC3H7O
IC3H7O C3H6O1-2 C3H6O1-3 C3KET12 C3KET13
C3KET21 C3H51-2,3OOH C3H52-1,3OOH C3H6OH HOC3H6O2
CH3CHCO AC3H5OOH C2H3OOH C4H10 C4H8-1
C4H8-2 PC4H9 SC4H9 C4H71-1 C4H71-2
C4H71-3 C4H71-4 C4H72-2 C4H6 PC4H9O2H
SC4H9O2H PC4H9O2 SC4H9O2 PC4H9O SC4H9O
C4H7O C4H8O1-2 C4H8O1-3 C4H8O1-4 C4H8O2-3
PC4H8OH SC4H8OH C4H8OH-1O2 C4H8OH-2O2 C4H8OOH1-1
C4H8OOH1-2 C4H8OOH1-3 C4H8OOH1-4 C4H8OOH2-1 C4H8OOH2-2
C4H8OOH2-3 C4H8OOH2-4 C4H8OOH1-2O2 C4H8OOH1-3O2 C4H8OOH1-4O2
C4H8OOH2-1O2 C4H8OOH2-3O2 C4H8OOH2-4O2 NC4KET12 NC4KET13
NC4KET14 NC4KET21 NC4KET23 NC4KET24 C2H5COCH3
C2H5COCH2 CH2CH2COCH3 CH3CHCOCH3 C2H3COCH3 CH3CHOOCOCH3
CH2CHOOHCOCH3 NC3H7CHO NC3H7CO C3H6CHO-1 C3H6CHO-2
C3H6CHO-3 C2H5CHCO SC3H5CHO SC3H5CO CH2CH2CHO
IC4H10 IC4H9 TC4H9 IC4H8 IC4H7
TC4H9O2 IC4H9O2 TC4H8O2H-I IC4H8O2H-I IC4H8O2H-T
IC4H8O CC4H8O IC4H9O TC4H9O IC4H9O2H
TC4H9O2H IC4H7O IC4H8OH IO2C4H8OH IC3H7CHO
TC3H6CHO IC3H7CO IC3H6CHO TC4H8OOH-IO2 IC4H8OOH-IO2
IC4H8OOH-TO2 IC4KETII IC4KETIT IC4H7OH IC4H6OH
IC3H5CHO IC3H5CO TC3H6OCHO IC3H6CO IC4H7OOH
TC3H6OHCHO TC3H6OH IC3H5OH TC3H6O2CHO TC3H6O2HCO
IC3H5O2HCHO CH2CCH2OH TC4H8CHO O2C4H8CHO O2HC4H8CO
C3H5OH TIC4H7Q2-I IIC4H7Q2-T IIC4H7Q2-I CH2O2H
NC5H12 C5H11-1 C5H11-2 C5H11-3 C5H10-1
C5H10-2 C5H81-3 C5H91-3 C5H91-4 C5H91-5
C5H92-4 C5H92-5 C5H9O1-3 C5H9O2-4 C5H11O2H-1
C5H11O2H-2 C5H11O2H-3 C5H11O2-1 C5H11O2-2 C5H11O2-3
C5H11O-1 C5H11O-2 C5H11O-3 C5H10OOH1-2 C5H10OOH1-3
C5H10OOH1-4 C5H10OOH1-5 C5H10OOH2-1 C5H10OOH2-3 C5H10OOH2-4
C5H10OOH2-5 C5H10OOH3-2 C5H10OOH3-1 C5H10O1-2 C5H10O1-3
C5H10O1-4 C5H10O1-5 C5H10O2-3 C5H10O2-4 C5H10OOH1-2O2
C5H10OOH1-3O2 C5H10OOH1-4O2 C5H10OOH1-5O2 C5H10OOH2-1O2 C5H10OOH2-3O2
C5H10OOH2-4O2 C5H10OOH2-5O2 C5H10OOH3-1O2 C5H10OOH3-2O2 NC5KET12
NC5KET13 NC5KET14 NC5KET15 NC5KET21 NC5KET23
NC5KET24 NC5KET25 NC5KET31 NC5KET32 C5H10OH-1
C5H10OH-2 O2C5H10OH-1 O2C5H10OH-2
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!
NC6H14
C6H13-1 C6H13-2 C6H13-3 C6H12-1 C6H12-2
C6H12-3 C6H111-3 C6H111-4 C6H111-5 C6H111-6
C6H112-4 C6H112-5 C6H112-6 C6H113-1 C6H11O1-3
C6H11O2-4 C6H12O1-2 C6H12O1-3 C6H12O1-4 C6H12O1-5
C6H12O2-3 C6H12O2-4 C6H12O2-5 C6H12O3-4 C6H13O2H-1
C6H13O2H-2 C6H13O2H-3 C6H13O2-1 C6H13O2-2 C6H13O2-3
C6H12OOH1-2 C6H12OOH1-3 C6H12OOH1-4 C6H12OOH1-5 C6H12OOH2-1
C6H12OOH2-3 C6H12OOH2-4 C6H12OOH2-5 C6H12OOH2-6 C6H12OOH3-1
C6H12OOH3-2 C6H12OOH3-4 C6H12OOH3-5 C6H12OOH3-6 C6H12OOH1-2O2
C6H12OOH1-3O2 C6H12OOH1-4O2 C6H12OOH1-5O2 C6H12OOH2-1O2 C6H12OOH2-3O2
C6H12OOH2-4O2 C6H12OOH2-5O2 C6H12OOH2-6O2 C6H12OOH3-1O2 C6H12OOH3-2O2
C6H12OOH3-4O2 C6H12OOH3-5O2 C6H12OOH3-6O2 NC6KET12 NC6KET13
NC6KET14 NC6KET15 NC6KET21 NC6KET23 NC6KET24
NC6KET25 NC6KET26 NC6KET31 NC6KET32 NC6KET34
NC6KET35 NC6KET36 C6H13O-1 C6H13O-2 C6H13O-3
C6H12OH-1 C6H12OH-2 C6H12OH-3 O2C6H12OH-1 O2C6H12OH-2
O2C6H12OH-3 NC4H9CHO NC4H9CO C4H8CHO-1 C4H8CHO-2
C4H8CHO-3 C4H8CHO-4 AC3H5CHO AC3H5CO C2H3CHCHO
NC3H7COCH3 NC3H7COCH2 C3H6COCH3-1 C3H6COCH3-2 C3H6COCH3-3
C2H5COC2H5 C2H5COC2H4P C2H5COC2H4S C2H5COC2H3 PC2H4COC2H3
SC2H4COC2H3 NC7H16 C7H15-1 C7H15-2 C7H15-3
C7H15-4 C7H14-1 C7H14-2 C7H14-3 C7H131-3
C7H131-4 C7H131-5 C7H131-6 C7H131-7 C7H132-4
C7H132-5 C7H132-6 C7H132-7 C7H133-1 C7H133-5
C7H133-6 C7H133-7 C7H13O1-3 C7H13O2-4 C7H13O3-5
C7H15O2-1 C7H15O2-2 C7H15O2-3 C7H15O2-4 C7H15O2H-1
C7H15O2H-2 C7H15O2H-3 C7H15O2H-4 C7H15O-1 C7H15O-2
C7H15O-3 C7H15O-4 C7H14OOH1-2 C7H14OOH1-3 C7H14OOH1-4
C7H14OOH1-5 C7H14OOH2-1 C7H14OOH2-3 C7H14OOH2-4 C7H14OOH2-5
C7H14OOH2-6 C7H14OOH3-1 C7H14OOH3-2 C7H14OOH3-4 C7H14OOH3-5
C7H14OOH3-6 C7H14OOH3-7 C7H14OOH4-1 C7H14OOH4-2 C7H14OOH4-3
C7H14OOH1-2O2 C7H14OOH1-3O2 C7H14OOH1-4O2 C7H14OOH1-5O2 C7H14OOH2-1O2
C7H14OOH2-3O2 C7H14OOH2-4O2 C7H14OOH2-5O2 C7H14OOH2-6O2 C7H14OOH3-1O2
C7H14OOH3-2O2 C7H14OOH3-4O2 C7H14OOH3-5O2 C7H14OOH3-6O2 C7H14OOH3-7O2
C7H14OOH4-1O2 C7H14OOH4-2O2 C7H14OOH4-3O2 C7H14O1-2 C7H14O1-3
C7H14O1-4 C7H14O1-5 C7H14O2-3 C7H14O2-4 C7H14O2-5
C7H14O2-6 C7H14O3-4 C7H14O3-5 NC7KET12 NC7KET13
NC7KET14 NC7KET15 NC7KET21 NC7KET23 NC7KET24
NC7KET25 NC7KET26 NC7KET31 NC7KET32 NC7KET34
NC7KET35 NC7KET36 NC7KET37 NC7KET41 NC7KET42
NC7KET43 C7H14OH-1 C7H14OH-2 C7H14OH-3 O2C7H14OH-1
O2C7H14OH-2 O2C7H14OH-3 NC5H11CHO NC5H11CO C5H10CHO-1
C5H10CHO-2 C5H10CHO-3 C5H10CHO-4 C5H10CHO-5 C4H7CHO1-4
C4H7CO1-4 C4H6CHO1-43 C4H6CHO1-44 NC4H9COCH3 NC4H9COCH2
C4H8COCH3-1 C4H8COCH3-2 C4H8COCH3-3 C4H8COCH3-4 C4H7OOH1-4
C4H7O1-4 C5H9OOH1-4 C5H9O1-4 C5H9OOH1-5 C5H9O1-5
C6H11OOH1-4 C6H11O1-4 C6H11OOH1-5 C6H11O1-5 C5H91-1
C4H7CHO1-1 C4H7CO1-1 C4H6CHO1-14 C4H6CHO1-13 NC3H7COC2H5
C3H6COC2H5-1 C3H6COC2H5-2 C3H6COC2H5-3 NC3H7COC2H4P NC3H7COC2H4S
CHCHCHO
C6H101-3 C6H101-4 C6H101-5 C6H102-4 ETES1
MVOX VTHF EDHF ETC6 KES1
C6H111O2H-3 C6H111O2H-4 C6H111O2H-5 C6H111O2H-6 C6H112O2H-4
C6H112O2H-5 C6H112O2H-6 C6H113O2H-2
C6H113O2H-1 NC6D1KET34 NC6D1KET35 NC6D1KET36 NC6D1KET43
NC6D1KET45 NC6D1KET46 NC6D1KET53 NC6D1KET54 NC6D1KET56
NC6D1KET63 NC6D1KET64 NC6D1KET65 NC6D2KET45 NC6D2KET46
NC6D2KET54 NC6D2KET56 NC6D2KET64 NC6D2KET65 NC6D3KET12
NC6D3KET21 C6H112O2-1 C6H111O2-3 C6H111O2-4 C6H111O2-5
C6H111O2-6 C6H112O2-4 C6H112O2-5 C6H112O2-6 C6H113O2-1
C6H113O2-2 C6H101OOH3-4 C6H101OOH3-5 C6H101OOH3-6 C6H101OOH4-3
C6H101OOH4-5 C6H101OOH4-6 C6H101OOH5-3 C6H101OOH5-4 C6H101OOH5-6
C6H101OOH6-3 C6H101OOH6-4 C6H101OOH6-5 C6H101OOH3-4O2 C6H101OOH3-5O2
C6H101OOH3-6O2 C6H101OOH4-3O2 C6H101OOH4-5O2 C6H101OOH4-6O2 C6H101OOH5-3O2
C6H101OOH5-4O2 C6H101OOH5-6O2 C6H101OOH6-3O2 C6H101OOH6-4O2 C6H101OOH6-5O2
C6H102OOH5-4 C6H103OOH1-2 C6H102OOH4-5 C6H102OOH4-6 C6H102OOH5-6
C6H102OOH6-4 C6H102OOH6-5 C6H103OOH2-1 C6H102OOH4-5O2
C6H102OOH4-6O2 C6H102OOH5-4O2 C6H102OOH5-6O2 C6H102OOH6-4O2 C6H102OOH6-5O2
C6H103OOH2-1O2 C6H103OOH1-2O2 C2H3COC3H7 C5H81-4
C5H91O2-3 C5H91O2-4 C5H91O2-5 C5H81OOH3-4 C5H81OOH3-5
C5H81OOH4-3 C5H81OOH4-5 C5H81OOH5-4 C5H81OOH5-3 C5H92O2-1
C5H81OOH3-4O2 C5H81OOH3-5O2 C5H81OOH4-3O2 C5H81OOH4-5O2 C5H81OOH5-3O2
C5H81OOH5-4O2 NC5D1KET34 NC5D1KET35 NC5D1KET43 NC5D1KET45
NC5D1KET53 NC5D1KET54 CY3C5H8O
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IC6KETEB IC5KETDB
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! N-ALKANE AND ALKYL RADICAL SPECIES
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NC12H26 C12H25-1 C12H25-2 C12H25-3 C12H25-4 C12H25-5 C12H25-6
NC11H24 C11H23-1 C11H23-2 C11H23-3 C11H23-4 C11H23-5 C11H23-6
NC10H22 C10H21-1 C10H21-2 C10H21-3 C10H21-4 C10H21-5
NC9H20 C9H19-1 C9H19-2 C9H19-3 C9H19-4 C9H19-5
NC8H18 C8H17-1 C8H17-2 C8H17-3 C8H17-4
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!
! OLEFIN SPECIES
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C12H24-1 C12H24-2 C12H24-3 C12H24-4 C12H24-5 C12H24-6
C11H22-1 C11H22-2 C11H22-3 C11H22-4 C11H22-5
C10H20-1 C10H20-2 C10H20-3 C10H20-4 C10H20-5
C9H18-1 C9H18-2 C9H18-3 C9H18-4
C8H16-1 C8H16-2 C8H16-3 C8H16-4
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!! RO SPECIES
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C12H25O-1 C12H25O-2 C12H25O-3 C12H25O-4
C12H25O-5 C12H25O-6
C11H23O-1 C11H23O-2 C11H23O-3 C11H23O-4
C11H23O-5 C11H23O-6
C10H21O-1 C10H21O-2 C10H21O-3 C10H21O-4
C10H21O-5
C9H19O-1 C9H19O-2 C9H19O-3 C9H19O-4
C9H19O-5
C8H17O-1 C8H17O-2 C8H17O-3 C8H17O-4
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! RO2 SPECIES
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C12H25O2-1 C12H25O2-2 C12H25O2-3 C12H25O2-4
C12H25O2-5 C12H25O2-6
C11H23O2-1 C11H23O2-2 C11H23O2-3 C11H23O2-4
C11H23O2-5 C11H23O2-6
C10H21O2-1 C10H21O2-2 C10H21O2-3 C10H21O2-4
C10H21O2-5
C9H19O2-1 C9H19O2-2 C9H19O2-3 C9H19O2-4
C9H19O2-5
C8H17O2-1 C8H17O2-2 C8H17O2-3 C8H17O2-4
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! ROOH SPECIES
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C12H25O2H-1 C12H25O2H-2 C12H25O2H-3 C12H25O2H-4
C12H25O2H-5 C12H25O2H-6
C11H23O2H-1 C11H23O2H-2 C11H23O2H-3 C11H23O2H-4
C11H23O2H-5 C11H23O2H-6
C10H21O2H-1 C10H21O2H-2 C10H21O2H-3 C10H21O2H-4
C10H21O2H-5
C9H19O2H-1 C9H19O2H-2 C9H19O2H-3 C9H19O2H-4
C9H19O2H-5
C8H17O2H-1 C8H17O2H-2 C8H17O2H-3 C8H17O2H-4
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! QOOH SPECIES
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C12OOH1-2 C12OOH1-3 C12OOH1-4 C12OOH1-5
C12OOH2-1 C12OOH2-3 C12OOH2-4 C12OOH2-5
C12OOH2-6
C12OOH3-1 C12OOH3-2 C12OOH3-4 C12OOH3-5
C12OOH3-6 C12OOH3-7
C12OOH4-1 C12OOH4-2 C12OOH4-3 C12OOH4-5
C12OOH4-6 C12OOH4-7 C12OOH4-8
C12OOH5-1 C12OOH5-2 C12OOH5-3 C12OOH5-4
C12OOH5-6 C12OOH5-7 C12OOH5-8 C12OOH5-9
C12OOH6-2 C12OOH6-3 C12OOH6-4 C12OOH6-5
C12OOH6-7 C12OOH6-8 C12OOH6-9 C12OOH6-10
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C11OOH1-2 C11OOH1-3 C11OOH1-4 C11OOH1-5
C11OOH2-1 C11OOH2-3 C11OOH2-4 C11OOH2-5
C11OOH2-6
C11OOH3-1 C11OOH3-2 C11OOH3-4 C11OOH3-5
C11OOH3-6 C11OOH3-7
C11OOH4-1 C11OOH4-2 C11OOH4-3 C11OOH4-5
C11OOH4-6 C11OOH4-7 C11OOH4-8
C11OOH5-1 C11OOH5-2 C11OOH5-3 C11OOH5-4
C11OOH5-6 C11OOH5-7 C11OOH5-8 C11OOH5-9
C11OOH6-2 C11OOH6-3 C11OOH6-4 C11OOH6-5
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C10OOH1-2 C10OOH1-3 C10OOH1-4 C10OOH1-5
C10OOH2-1 C10OOH2-3 C10OOH2-4 C10OOH2-5
C10OOH2-6
C10OOH3-1 C10OOH3-2 C10OOH3-4 C10OOH3-5
C10OOH3-6 C10OOH3-7
C10OOH4-1 C10OOH4-2 C10OOH4-3 C10OOH4-5
C10OOH4-6 C10OOH4-7 C10OOH4-8
C10OOH5-1 C10OOH5-2 C10OOH5-3 C10OOH5-4
C10OOH5-6 C10OOH5-7 C10OOH5-8 C10OOH5-9
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C9OOH1-2 C9OOH1-3 C9OOH1-4 C9OOH1-5
C9OOH2-1 C9OOH2-3 C9OOH2-4 C9OOH2-5
C9OOH2-6
C9OOH3-1 C9OOH3-2 C9OOH3-4 C9OOH3-5
C9OOH3-6 C9OOH3-7
C9OOH4-1 C9OOH4-2 C9OOH4-3 C9OOH4-5
C9OOH4-6 C9OOH4-7 C9OOH4-8
C9OOH5-1 C9OOH5-2 C9OOH5-3 C9OOH5-4
!
C8OOH1-2 C8OOH1-3 C8OOH1-4 C8OOH1-5
C8OOH2-1 C8OOH2-3 C8OOH2-4 C8OOH2-5
C8OOH2-6
C8OOH3-1 C8OOH3-2 C8OOH3-4 C8OOH3-5
C8OOH3-6 C8OOH3-7
C8OOH4-1 C8OOH4-2 C8OOH4-3 C8OOH4-5
C8OOH4-6 C8OOH4-7 C8OOH4-8
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! O2QOOH SPECIES
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!
C12OOH1-2O2 C12OOH1-3O2 C12OOH1-4O2 C12OOH1-5O2
C12OOH2-1O2 C12OOH2-3O2 C12OOH2-4O2 C12OOH2-5O2 C12OOH2-6O2
C12OOH3-1O2 C12OOH3-2O2 C12OOH3-4O2 C12OOH3-5O2 C12OOH3-6O2
C12OOH3-7O2
C12OOH4-1O2 C12OOH4-2O2 C12OOH4-3O2 C12OOH4-5O2 C12OOH4-6O2
C12OOH4-7O2 C12OOH4-8O2
C12OOH5-1O2 C12OOH5-2O2 C12OOH5-3O2 C12OOH5-4O2 C12OOH5-6O2
C12OOH5-7O2 C12OOH5-8O2 C12OOH5-9O2
C12OOH6-2O2 C12OOH6-3O2 C12OOH6-4O2 C12OOH6-5O2
C12OOH6-7O2 C12OOH6-8O2 C12OOH6-9O2 C12OOH6-10O2
!
C11OOH1-2O2 C11OOH1-3O2 C11OOH1-4O2 C11OOH1-5O2
C11OOH2-1O2 C11OOH2-3O2 C11OOH2-4O2 C11OOH2-5O2 C11OOH2-6O2
C11OOH3-1O2 C11OOH3-2O2 C11OOH3-4O2 C11OOH3-5O2 C11OOH3-6O2
C11OOH3-7O2
C11OOH4-1O2 C11OOH4-2O2 C11OOH4-3O2 C11OOH4-5O2 C11OOH4-6O2
C11OOH4-7O2 C11OOH4-8O2
C11OOH5-1O2 C11OOH5-2O2 C11OOH5-3O2 C11OOH5-4O2 C11OOH5-6O2
C11OOH5-7O2 C11OOH5-8O2 C11OOH5-9O2
C11OOH6-2O2 C11OOH6-3O2 C11OOH6-4O2 C11OOH6-5O2
!
C10OOH1-2O2 C10OOH1-3O2 C10OOH1-4O2 C10OOH1-5O2
C10OOH2-1O2 C10OOH2-3O2 C10OOH2-4O2 C10OOH2-5O2 C10OOH2-6O2
C10OOH3-1O2 C10OOH3-2O2 C10OOH3-4O2 C10OOH3-5O2 C10OOH3-6O2
C10OOH3-7O2
C10OOH4-1O2 C10OOH4-2O2 C10OOH4-3O2 C10OOH4-5O2 C10OOH4-6O2
C10OOH4-7O2 C10OOH4-8O2
C10OOH5-1O2 C10OOH5-2O2 C10OOH5-3O2 C10OOH5-4O2 C10OOH5-6O2
C10OOH5-7O2 C10OOH5-8O2 C10OOH5-9O2
!
C9OOH1-2O2 C9OOH1-3O2 C9OOH1-4O2 C9OOH1-5O2
C9OOH2-1O2 C9OOH2-3O2 C9OOH2-4O2 C9OOH2-5O2 C9OOH2-6O2
C9OOH3-1O2 C9OOH3-2O2 C9OOH3-4O2 C9OOH3-5O2 C9OOH3-6O2
C9OOH3-7O2
C9OOH4-1O2 C9OOH4-2O2 C9OOH4-3O2 C9OOH4-5O2 C9OOH4-6O2
C9OOH4-7O2 C9OOH4-8O2
C9OOH5-1O2 C9OOH5-2O2 C9OOH5-3O2 C9OOH5-4O2
!
C8OOH1-2O2 C8OOH1-3O2 C8OOH1-4O2 C8OOH1-5O2
C8OOH2-1O2 C8OOH2-3O2 C8OOH2-4O2 C8OOH2-5O2 C8OOH2-6O2
C8OOH3-1O2 C8OOH3-2O2 C8OOH3-4O2 C8OOH3-5O2 C8OOH3-6O2
C8OOH3-7O2
C8OOH4-1O2 C8OOH4-2O2 C8OOH4-3O2 C8OOH4-5O2 C8OOH4-6O2
C8OOH4-7O2 C8OOH4-8O2
!
!
! CYCLIC ETHER SPECIES
!
!
C12O1-2 C12O1-3 C12O1-4 C12O1-5
C12O2-3 C12O2-4 C12O2-5 C12O2-6
C12O3-4 C12O3-5 C12O3-6 C12O3-7
C12O4-5 C12O4-6 C12O4-7 C12O4-8
C12O5-6 C12O5-7 C12O5-8
C12O6-7
!
C11O1-2 C11O1-3 C11O1-4 C11O1-5
C11O2-3 C11O2-4 C11O2-5 C11O2-6
C11O3-4 C11O3-5 C11O3-6 C11O3-7
C11O4-5 C11O4-6 C11O4-7 C11O4-8
C11O5-6 C11O5-7
!
C10O1-2 C10O1-3 C10O1-4 C10O1-5
C10O2-3 C10O2-4 C10O2-5 C10O2-6
C10O3-4 C10O3-5 C10O3-6 C10O3-7
C10O4-5 C10O4-6 C10O4-7
C10O5-6
!
C9O1-2 C9O1-3 C9O1-4 C9O1-5
C9O2-3 C9O2-4 C9O2-5 C9O2-6
C9O3-4 C9O3-5 C9O3-6 C9O3-7
C9O4-5 C9O4-6
!
C8O1-2 C8O1-3 C8O1-4 C8O1-5
C8O2-3 C8O2-4 C8O2-5 C8O2-6
C8O3-4 C8O3-5 C8O3-6
C8O4-5
!
!
! KETOHYDROPEROXIDE SPECIES
!
!
C12KET1-2 C12KET1-3 C12KET1-4 C12KET1-5
C12KET2-1 C12KET2-3 C12KET2-4 C12KET2-5
C12KET2-6
C12KET3-1 C12KET3-2 C12KET3-4 C12KET3-5
C12KET3-6 C12KET3-7
C12KET4-1 C12KET4-2 C12KET4-3 C12KET4-5
C12KET4-6 C12KET4-7 C12KET4-8
C12KET5-1 C12KET5-2 C12KET5-3 C12KET5-4
C12KET5-6 C12KET5-7 C12KET5-8 C12KET5-9
C12KET6-2 C12KET6-3 C12KET6-4 C12KET6-5
C12KET6-7 C12KET6-8 C12KET6-9 C12KET6-10
!
C11KET1-2 C11KET1-3 C11KET1-4 C11KET1-5
C11KET2-1 C11KET2-3 C11KET2-4 C11KET2-5
C11KET2-6
C11KET3-1 C11KET3-2 C11KET3-4 C11KET3-5
C11KET3-6 C11KET3-7
C11KET4-1 C11KET4-2 C11KET4-3 C11KET4-5
C11KET4-6 C11KET4-7 C11KET4-8
C11KET5-1 C11KET5-2 C11KET5-3 C11KET5-4
C11KET5-6 C11KET5-7 C11KET5-8 C11KET5-9
C11KET6-2 C11KET6-3 C11KET6-4 C11KET6-5
!
C10KET1-2 C10KET1-3 C10KET1-4 C10KET1-5
C10KET2-1 C10KET2-3 C10KET2-4 C10KET2-5
C10KET2-6
C10KET3-1 C10KET3-2 C10KET3-4 C10KET3-5
C10KET3-6 C10KET3-7
C10KET4-1 C10KET4-2 C10KET4-3 C10KET4-5
C10KET4-6 C10KET4-7 C10KET4-8
C10KET5-1 C10KET5-2 C10KET5-3 C10KET5-4
C10KET5-6 C10KET5-7 C10KET5-8 C10KET5-9
!
C9KET1-2 C9KET1-3 C9KET1-4 C9KET1-5
C9KET2-1 C9KET2-3 C9KET2-4 C9KET2-5
C9KET2-6
C9KET3-1 C9KET3-2 C9KET3-4 C9KET3-5
C9KET3-6 C9KET3-7
C9KET4-1 C9KET4-2 C9KET4-3 C9KET4-5
C9KET4-6 C9KET4-7 C9KET4-8
C9KET5-1 C9KET5-2 C9KET5-3 C9KET5-4
!
C8KET1-2 C8KET1-3 C8KET1-4 C8KET1-5
C8KET2-1 C8KET2-3 C8KET2-4 C8KET2-5
C8KET2-6
C8KET3-1 C8KET3-2 C8KET3-4 C8KET3-5
C8KET3-6 C8KET3-7
C8KET4-1 C8KET4-2 C8KET4-3 C8KET4-5
C8KET4-6 C8KET4-7 C8KET4-8
!
!
C12H25COCH2 C11H23COCH2 C10H21COCH2 C9H19COCH2 C8H17COCH2
C7H15COCH2 C6H13COCH2 C5H11COCH2
C12COC2H4P C11COC2H4P
C10COC2H4P C9COC2H4P C8COC2H4P
C7COC2H4P C6COC2H4P C5COC2H4P C4COC2H4P
!
!
C11COC3H6P C10COC3H6P
C9COC3H6P C8COC3H6P C7COC3H6P
C6COC3H6P C5COC3H6P C4COC3H6P C3COC3H6P
!
!
NC3H7COC2H3 NC4H9COC2H3 C5H11COC2H3 C6H13COC2H3
!
NC3H7CHCO NC4H9CHCO C5H11CHCO C6H13CHCO C7H15CHCO
!
! LARGE ALDEHYDES
!
!
NC12H25CHO NC11H23CHO
NC10H21CHO NC9H19CHO NC8H17CHO
NC7H15CHO NC6H13CHO
NC16H33CO NC15H31CO NC14H29CO NC12H25CO NC11H23CO NC10H21CO
NC9H19CO NC8H17CO NC7H15CO NC6H13CO
C4H8CHO4-2
!
!
IC12H25CHO IC11H23CHO
IC10H21CHO IC9H19CHO IC8H17CHO
IC7H15CHO IC6H13CHO IC5H11CHO IC4H9CHO
IC18H37CO IC17H35CO IC16H33CO IC15H31CO IC14H29CO IC12H25CO IC11H23CO IC10H21CO
IC9H19CO IC8H17CO IC7H15CO IC6H13CO IC5H11CO IC4H9CO
!
!
!
!
NC12H25COCH2 NC11H23COCH2 NC10H21COCH2 NC9H19COCH2 NC8H17COCH2
NC7H15COCH2 NC6H13COCH2 NC5H11COCH2
!
!
IC12H25COCH2 IC11H23COCH2 IC10H21COCH2 IC9H19COCH2 IC8H17COCH2
IC7H15COCH2 IC6H13COCH2 IC5H11COCH2 IC4H9COCH2 IC3H7COCH2
!
!
NC12H25COC2H4P NC11H23COC2H4P
NC10H21COC2H4P NC9H19COC2H4P NC8H17COC2H4P
NC7H15COC2H4P NC6H13COC2H4P NC5H11COC2H4P NC4H9COC2H4P
!
!
IC12H25COC2H4P IC11H23COC2H4P
IC10H21COC2H4P IC9H19COC2H4P IC8H17COC2H4P
IC7H15COC2H4P IC6H13COC2H4P IC5H11COC2H4P IC4H9COC2H4P IC3H7COC2H4P
!
!
NC12H25COC2H3 NC11H23COC2H3
NC10H21COC2H3 NC9H19COC2H3 NC8H17COC2H3
NC7H15COC2H3 NC6H13COC2H3 NC5H11COC2H3 NC4H9COC2H3 NC3H7COC2H3
!
!
!
NC12H25COC3H6P NC11H23COC3H6P NC10H21COC3H6P
NC9H19COC3H6P NC8H17COC3H6P NC7H15COC3H6P
NC6H13COC3H6P NC5H11COC3H6P NC4H9COC3H6P NC3H7COC3H6P
!
!
IC12H25COC3H6P IC11H23COC3H6P IC10H21COC3H6P
IC9H19COC3H6P IC8H17COC3H6P IC7H15COC3H6P
IC6H13COC3H6P IC5H11COC3H6P IC4H9COC3H6P IC3H7COC3H6P
!
!
!
NC3H7CHCO NC4H9CHCO NC5H11CHCO NC6H13CHCO NC7H15CHCO
NC8H17CHCO NC9H19CHCO NC10H21CHCO NC11H23CHCO NC12H25CHCO
!
IC3H7CHCO
CH3CHCHO
CH3CHOCHO
IC3H7COC2H3
IC3H6COC2H3
TC3H6COC2H3
!
!
! ALKENYL RADICALS
!
C12H23 C11H21 C10H19 C9H17 C8H15
!
!
! C5 AND C6 2-METHYLALKYL RADICALS, ALKENES, AND ALKENYL RADICALS
! FORMED BY DECOMPOSITION OF LARGER 2-METHYLALKANES
! THE NAMES OF THESE SPECIES DO NOT FOLLOW THE SAME CONVENTION AS THE
! C7 AND GREATER 2-METHYLALKANES SINCE THESE ARE PART OF THE BASE MECHANISM
EC6H13 !C6H13-2E
DC6H13 !C6H13-2D
DC6H12 !C6H12-4-2
CC6H12 !C6H12-3-2
IC6H11 !C6H11-1-2
AC5H11 !C5H11-2A
BC5H11 !C5H11-2B
CC5H11 !C5H11-2C
DC5H11 !C5H11-2D
AC5H10 !C5H11-1-2
BC5H10 !C5H10-2-2
CC5H10 !C5H10-3-2
IC5H9 !C5H9-1-1
!
!
!
!
!
! 2-METHYLHEXANE
! 2-METHYLHEXANE AND ITS CORRESPONDING ALKYL RADICALS;
! RADICAL SITE DENOTED BY LETTER
C7H16-2
C7H15-2A C7H15-2B C7H15-2C C7H15-2D C7H15-2E C7H15-2F
!
! ALL 2-METHYLHEXENES AND ITS CORRESPONDING ALKENYL RADICALS
! RADICAL SITE DENOTED BY LETTER
C7H14-1-2 C7H14-2-2 C7H14-3-2 C7H14-4-2 C7H14-5-2
!
C7H13-1-2 !THIS SPECIES IS A LUMP OF THE VARIOUS C7H13-1-2 RADICALS BELOW
!
!
! 2-METHYLHEXANE RO. SPECIES; RADICAL SITE ON THE OXYGEN
C7H15O-1-2 C7H15O-2-2 C7H15O-3-2
C7H15O-4-2 C7H15O-5-2 C7H15O-6-2
!
! 2-METHYLHEXANE ROO. SPECIES; RADICAL SITE ON THE OXYGEN
C7H15OO-1-2 C7H15OO-2-2 C7H15OO-3-2
C7H15OO-4-2 C7H15OO-5-2 C7H15OO-6-2
!
! 2-METHYLHEXANE ROOH SPECIES; NO RADICAL SITES
C7H15OOH-1-2 C7H15OOH-2-2 C7H15OOH-3-2
C7H15OOH-4-2 C7H15OOH-5-2 C7H15OOH-6-2
!
! 2-METHYLHEXANE .QOOH SPECIES; C7H14-1 IS DENOTED AS C7
! A HYPHEN IS NOT USED TO INDICATE OOH POSITION
! RADICAL SITE DENOTED BY LETTER;
! INCLUDES TRANSITION STATE RINGS OF 5, 6, 7, AND 8 ATOMS
!
C7OOH1-2A C7OOH1-2B C7OOH1-2C
C7OOH1-2D C7OOH1-2E
!
C7OOH2-2A C7OOH2-2C C7OOH2-2D
C7OOH2-2E C7OOH2-2F
!
C7OOH3-2A C7OOH3-2B C7OOH3-2D
C7OOH3-2E C7OOH3-2F
!
C7OOH4-2A C7OOH4-2B C7OOH4-2C
C7OOH4-2E C7OOH4-2F
!
C7OOH5-2A C7OOH5-2B C7OOH5-2C
C7OOH5-2D C7OOH5-2F
!
C7OOH6-2B C7OOH6-2C C7OOH6-2D
C7OOH6-2E
!
! 2-METHYLHEXANE .OOQOOH SPECIES; C7H14-1 IS DENOTED AS C7
! A HYPHEN IS NOT USED TO INDICATE OOH POSITION
! A HYPHEN IS NOT USED TO INDICATE OO POSITION
! RADICAL SITE ON THE OXYGEN IN O2
C7OOH1-OO1-2 C7OOH1-OO2-2 C7OOH1-OO3-2
C7OOH1-OO4-2 C7OOH1-OO5-2
!
C7OOH2-OO1-2 C7OOH2-OO3-2 C7OOH2-OO4-2
C7OOH2-OO5-2 C7OOH2-OO6-2
!
C7OOH3-OO1-2 C7OOH3-OO2-2 C7OOH3-OO4-2
C7OOH3-OO5-2 C7OOH3-OO6-2
!
C7OOH4-OO1-2 C7OOH4-OO2-2 C7OOH4-OO3-2
C7OOH4-OO5-2 C7OOH4-OO6-2
!
C7OOH5-OO1-2 C7OOH5-OO2-2 C7OOH5-OO3-2
C7OOH5-OO4-2 C7OOH5-OO6-2
!
C7OOH6-OO2-2 C7OOH6-OO3-2 C7OOH6-OO4-2
C7OOH6-OO5-2
!
! 2-METHYLHEXANE CYCLIC ETHER SPECIES; NO RADICAL SITES
C7H14O1-1-2 C7H14O1-2-2 C7H14O1-3-2
C7H14O1-4-2 C7H14O1-5-2
!
C7H14O2-3-2 C7H14O2-4-2 C7H14O2-5-2
C7H14O2-6-2
!
C7H14O3-4-2 C7H14O3-5-2 C7H14O3-6-2
!
C7H14O4-5-2 C7H14O4-6-2
!
C7H14O5-6-2
!
! 2-METHYLHEXANE KETO-HYDROPEROXIDE (KET) SPECIES; C7H14-1 IS DENOTED AS C7
! THERE ARE NO RADICAL SITES
! (1ST NUMBER IS KETENE GROUP; 2ND NUMBER IS OOH GROUP)
!
C7KET1-1-2 C7KET1-2-2 C7KET1-3-2
C7KET1-4-2 C7KET1-5-2
!
C7KET3-1-2 C7KET3-2-2 C7KET3-4-2
C7KET3-5-2 C7KET3-6-2
!
C7KET4-1-2 C7KET4-2-2 C7KET4-3-2
C7KET4-5-2 C7KET4-6-2
!
C7KET5-1-2 C7KET5-2-2 C7KET5-3-2
C7KET5-4-2 C7KET5-6-2
!
C7KET6-2-2 C7KET6-3-2 C7KET6-4-2
C7KET6-5-2
!
!
!
!
!
!
! 2-METHYLHEPTANE
! 2-METHYLHEPTANE AND ITS CORRESPONDING ALKYL RADICALS;
! RADICAL SITE DENOTED BY LETTER
C8H18-2
C8H17-2A C8H17-2B C8H17-2C C8H17-2D C8H17-2E C8H17-2F
C8H17-2G
!
! ALL 2-METHYLHEPTENES AND ITS CORRESPONDING ALKENYL RADICALS
! RADICAL SITE DENOTED BY LETTER
C8H16-1-2 C8H16-2-2 C8H16-3-2 C8H16-4-2 C8H16-5-2
C8H16-6-2
!
C8H15-1-2 !THIS SPECIES IS A LUMP OF THE VARIOUS C8H15-1-2 RADICALS BELOW
!
!
! 2-METHYLHEPTANE RO. SPECIES; RADICAL SITE ON THE OXYGEN
C8H17O-1-2 C8H17O-2-2 C8H17O-3-2
C8H17O-4-2 C8H17O-5-2 C8H17O-6-2
C8H17O-7-2
!
! 2-METHYLHEPTANE ROO. SPECIES; RADICAL SITE ON THE OXYGEN
C8H17OO-1-2 C8H17OO-2-2 C8H17OO-3-2
C8H17OO-4-2 C8H17OO-5-2 C8H17OO-6-2
C8H17OO-7-2
!
! 2-METHYLHEPTANE ROOH SPECIES; NO RADICAL SITES
C8H17OOH-1-2 C8H17OOH-2-2 C8H17OOH-3-2
C8H17OOH-4-2 C8H17OOH-5-2 C8H17OOH-6-2
C8H17OOH-7-2
!
! 2-METHYLHEPTANE .QOOH SPECIES; C8H16-1DENOTED AS C8
! A HYPHEN IS NOT USED TO INDICATE OOH POSITION
! RADICAL SITE DENOTED BY LETTER;
! INCLUDES TRANSITION STATE RINGS OF 5, 6, 7, AND 8 ATOMS
C8OOH1-2A C8OOH1-2B C8OOH1-2C
C8OOH1-2D C8OOH1-2E
!
C8OOH2-2A C8OOH2-2C C8OOH2-2D
C8OOH2-2E C8OOH2-2F
!
C8OOH3-2A C8OOH3-2B C8OOH3-2D
C8OOH3-2E C8OOH3-2F C8OOH3-2G
!
C8OOH4-2A C8OOH4-2B C8OOH4-2C
C8OOH4-2E C8OOH4-2F C8OOH4-2G
!
C8OOH5-2A C8OOH5-2B C8OOH5-2C
C8OOH5-2D C8OOH5-2F C8OOH5-2G
!
C8OOH6-2B C8OOH6-2C C8OOH6-2D
C8OOH6-2E C8OOH6-2G
!
C8OOH7-2C C8OOH7-2D C8OOH7-2E
C8OOH7-2F
!
! 2-METHYLHEPTANE .OOQOOH SPECIES; C8H16-1DENOTED AS C8
! A HYPHEN IS NOT USED TO INDICATE OOH POSITION
! A HYPHEN IS NOT USED TO INDICATE OO POSITION
! RADICAL SITE ON THE OXYGEN IN O2
C8OOH1-OO1-2 C8OOH1-OO2-2 C8OOH1-OO3-2
C8OOH1-OO4-2 C8OOH1-OO5-2
!
C8OOH2-OO1-2 C8OOH2-OO3-2 C8OOH2-OO4-2
C8OOH2-OO5-2 C8OOH2-OO6-2
!
C8OOH3-OO1-2 C8OOH3-OO2-2 C8OOH3-OO4-2
C8OOH3-OO5-2 C8OOH3-OO6-2 C8OOH3-OO7-2
!
C8OOH4-OO1-2 C8OOH4-OO2-2 C8OOH4-OO3-2
C8OOH4-OO5-2 C8OOH4-OO6-2 C8OOH4-OO7-2
!
C8OOH5-OO1-2 C8OOH5-OO2-2 C8OOH5-OO3-2
C8OOH5-OO4-2 C8OOH5-OO6-2 C8OOH5-OO7-2
!
C8OOH6-OO2-2 C8OOH6-OO3-2 C8OOH6-OO4-2
C8OOH6-OO5-2 C8OOH6-OO7-2
!
C8OOH7-OO3-2 C8OOH7-OO4-2 C8OOH7-OO5-2
C8OOH7-OO6-2
!
! 2-METHYLHEPTANE CYCLIC ETHER SPECIES; NO RADICAL SITES
C8H16O1-1-2 C8H16O1-2-2 C8H16O1-3-2
C8H16O1-4-2 C8H16O1-5-2
!
C8H16O2-3-2 C8H16O2-4-2 C8H16O2-5-2
C8H16O2-6-2
!
C8H16O3-4-2 C8H16O3-5-2 C8H16O3-6-2
C8H16O3-7-2
!
C8H16O4-5-2 C8H16O4-6-2 C8H16O4-7-2
!
C8H16O5-6-2 C8H16O5-7-2
!
C8H16O6-7-2
!
! 2-METHYLHEPTANE KETO-HYDROPEROXIDE (KET) SPECIES; C8H16-1DENOTED AS C8
! THERE ARE NO RADICAL SITES
! (1ST NUMBER IS KETENE GROUP; 2ND NUMBER IS OOH GROUP)
!
C8KET1-1-2 C8KET1-2-2 C8KET1-3-2
C8KET1-4-2 C8KET1-5-2
!
C8KET3-1-2 C8KET3-2-2 C8KET3-4-2
C8KET3-5-2 C8KET3-6-2 C8KET3-7-2
!
C8KET4-1-2 C8KET4-2-2 C8KET4-3-2
C8KET4-5-2 C8KET4-6-2 C8KET4-7-2
!
C8KET5-1-2 C8KET5-2-2 C8KET5-3-2
C8KET5-4-2 C8KET5-6-2 C8KET5-7-2
!
C8KET6-2-2 C8KET6-3-2 C8KET6-4-2
C8KET6-5-2 C8KET6-7-2
!
C8KET7-3-2 C8KET7-4-2 C8KET7-5-2
C8KET7-6-2
!
!
!
!
!
!
!
! 2-METHYLOCTANE
! 2-METHYLOCTANE AND ITS CORRESPONDING ALKYL RADICALS!
! RADICAL SITE DENOTED BY LETTER
C9H20-2
C9H19-2A C9H19-2B C9H19-2C C9H19-2D C9H19-2E C9H19-2F
C9H19-2G C9H19-2H
!
! ALL 2-METHYLOCTENES AND ITS CORRESPONDING ALKENYL RADICALS
! RADICAL SITE DENOTED BY LETTER
C9H18-1-2 C9H18-2-2 C9H18-3-2 C9H18-4-2 C9H18-5-2
C9H18-6-2
C9H18-7-2
!
C9H17-1-2 !THIS SPECIES IS A LUMP OF THE VARIOUS C9H17-1-2 RADICALS BELOW
!
!
!
! 2-METHYLOCTANE RO. SPECIES; RADICAL SITE ON THE OXYGEN
C9H19O-1-2 C9H19O-2-2 C9H19O-3-2
C9H19O-4-2 C9H19O-5-2 C9H19O-6-2
C9H19O-7-2 C9H19O-8-2
!
! 2-METHYLOCTANE ROO. SPECIES; RADICAL SITE ON THE OXYGEN
C9H19OO-1-2 C9H19OO-2-2 C9H19OO-3-2
C9H19OO-4-2 C9H19OO-5-2 C9H19OO-6-2
C9H19OO-7-2 C9H19OO-8-2
!
! 2-METHYLOCTANE ROOH SPECIES; NO RADICAL SITES
C9H19OOH-1-2 C9H19OOH-2-2 C9H19OOH-3-2
C9H19OOH-4-2 C9H19OOH-5-2 C9H19OOH-6-2
C9H19OOH-7-2 C9H19OOH-8-2
!
! 2-METHYLOCTANE .QOOH SPECIES; C9H18-1DENOTED AS C9
! A HYPHEN IS NOT USED TO INDICATE OOH POSITION
! RADICAL SITE DENOTED BY LETTER;
! INCLUDES TRANSITION STATE RINGS OF 5, 6, 7, AND 8 ATOMS
C9OOH1-2A C9OOH1-2B C9OOH1-2C
C9OOH1-2D C9OOH1-2E
!
C9OOH2-2A C9OOH2-2C C9OOH2-2D
C9OOH2-2E C9OOH2-2F
!
C9OOH3-2A C9OOH3-2B C9OOH3-2D
C9OOH3-2E C9OOH3-2F C9OOH3-2G
!
C9OOH4-2A C9OOH4-2B C9OOH4-2C
C9OOH4-2E C9OOH4-2F C9OOH4-2G
C9OOH4-2H
!
C9OOH5-2A C9OOH5-2B C9OOH5-2C
C9OOH5-2D C9OOH5-2F C9OOH5-2G
C9OOH5-2H
!
C9OOH6-2B C9OOH6-2C C9OOH6-2D
C9OOH6-2E C9OOH6-2G C9OOH6-2H
!
C9OOH7-2C C9OOH7-2D C9OOH7-2E
C9OOH7-2F C9OOH7-2H
!
C9OOH8-2D C9OOH8-2E C9OOH8-2F
C9OOH8-2G
!
! 2-METHYLOCTANE .OOQOOH SPECIES; C9H18-1DENOTED AS C9
! A HYPHEN IS NOT USED TO INDICATE OOH POSITION
! A HYPHEN IS NOT USED TO INDICATE OO POSITION
! RADICAL SITE ON THE OXYGEN IN O2
C9OOH1-OO1-2 C9OOH1-OO2-2 C9OOH1-OO3-2
C9OOH1-OO4-2 C9OOH1-OO5-2
!
C9OOH2-OO1-2 C9OOH2-OO3-2 C9OOH2-OO4-2
C9OOH2-OO5-2 C9OOH2-OO6-2
!
C9OOH3-OO1-2 C9OOH3-OO2-2 C9OOH3-OO4-2
C9OOH3-OO5-2 C9OOH3-OO6-2 C9OOH3-OO7-2
!
C9OOH4-OO1-2 C9OOH4-OO2-2 C9OOH4-OO3-2
C9OOH4-OO5-2 C9OOH4-OO6-2 C9OOH4-OO7-2
C9OOH4-OO8-2
!
C9OOH5-OO1-2 C9OOH5-OO2-2 C9OOH5-OO3-2
C9OOH5-OO4-2 C9OOH5-OO6-2 C9OOH5-OO7-2
C9OOH5-OO8-2
!
C9OOH6-OO2-2 C9OOH6-OO3-2 C9OOH6-OO4-2
C9OOH6-OO5-2 C9OOH6-OO7-2 C9OOH6-OO8-2
!
C9OOH7-OO3-2 C9OOH7-OO4-2 C9OOH7-OO5-2
C9OOH7-OO6-2 C9OOH7-OO8-2
!
C9OOH8-OO4-2 C9OOH8-OO5-2 C9OOH8-OO6-2
C9OOH8-OO7-2
!
! 2-METHYLOCTANE CYCLIC ETHER SPECIES; NO RADICAL SITES
C9H18O1-1-2 C9H18O1-2-2 C9H18O1-3-2
C9H18O1-4-2 C9H18O1-5-2
!
C9H18O2-3-2 C9H18O2-4-2 C9H18O2-5-2
C9H18O2-6-2
!
C9H18O3-4-2 C9H18O3-5-2 C9H18O3-6-2
C9H18O3-7-2
!
C9H18O4-5-2 C9H18O4-6-2 C9H18O4-7-2
C9H18O4-8-2
!
C9H18O5-6-2 C9H18O5-7-2 C9H18O5-8-2
!
C9H18O6-7-2 C9H18O6-8-2
!
C9H18O7-8-2
! 2-METHYLOCTANE KETO-HYDROPEROXIDE (KET) SPECIES;
! C9H18-1DENOTED AS C9
! NO RADICAL SITES
! (1ST NUMBER IS KETENE GROUP; 2ND NUMBER IS OOH GROUP)
!
C9KET1-1-2 C9KET1-2-2 C9KET1-3-2
C9KET1-4-2 C9KET1-5-2
!
C9KET3-1-2 C9KET3-2-2 C9KET3-4-2
C9KET3-5-2 C9KET3-6-2 C9KET3-7-2
!
C9KET4-1-2 C9KET4-2-2 C9KET4-3-2
C9KET4-5-2 C9KET4-6-2 C9KET4-7-2
C9KET4-8-2
!
C9KET5-1-2 C9KET5-2-2 C9KET5-3-2
C9KET5-4-2 C9KET5-6-2 C9KET5-7-2
C9KET5-8-2
!
C9KET6-2-2 C9KET6-3-2 C9KET6-4-2
C9KET6-5-2 C9KET6-7-2 C9KET6-8-2
!
C9KET7-3-2 C9KET7-4-2 C9KET7-5-2
C9KET7-6-2 C9KET7-8-2
!
C9KET8-4-2 C9KET8-5-2 C9KET8-6-2
C9KET8-7-2
!
!
!
!
!
!
!
! 2-METHYLNONANE
! 2-METHYLNONANE AND ITS CORRESPONDING ALKYL RADICALS
! RADICAL SITE DENOTED BY LETTER
C10H22-2
C10H21-2A C10H21-2B C10H21-2C C10H21-2D C10H21-2E
C10H21-2F
C10H21-2G C10H21-2H C10H21-2I
!
! ALL 2-METHYLNONENES AND ITS CORRESPONDING ALKENYL RADICALS
! RADICAL SITE DENOTED BY LETTER
C10H20-1-2 C10H20-2-2 C10H20-3-2 C10H20-4-2
C10H20-5-2 C10H20-6-2 C10H20-7-2 C10H20-8-2
!
C10H19-1-2 !THIS SPECIES IS A LUMP OF THE VARIOUS C10H19-1-2 RADICALS BELOW
!
!
!
! 2-METHYLNONANE RO. SPECIES; RADICAL SITE ON THE OXYGEN
C10H21O-1-2 C10H21O-2-2 C10H21O-3-2
C10H21O-4-2 C10H21O-5-2 C10H21O-6-2
C10H21O-7-2 C10H21O-8-2 C10H21O-9-2
!
! 2-METHYLNONANE ROO. SPECIES; RADICAL SITE ON THE OXYGEN
C10H21OO-1-2 C10H21OO-2-2 C10H21OO-3-2
C10H21OO-4-2 C10H21OO-5-2 C10H21OO-6-2
C10H21OO-7-2 C10H21OO-8-2 C10H21OO-9-2
!
! 2-METHYLNONANE ROOH SPECIES; NO RADICAL SITES
C10H21OOH-1-2 C10H21OOH-2-2 C10H21OOH-3-2
C10H21OOH-4-2 C10H21OOH-5-2 C10H21OOH-6-2
C10H21OOH-7-2 C10H21OOH-8-2 C10H21OOH-9-2
!
! 2-METHYLNONANE .QOOH SPECIES; C10H20-1DENOTED AS C10
! A HYPHEN IS NOT USED TO INDICATE OOH POSITION
! RADICAL SITE DENOTED BY LETTER;
! INCLUDES TRANSITION STATE RINGS OF 5, 6, 7, AND 8 ATOMS
C10OOH1-2A C10OOH1-2B C10OOH1-2C
C10OOH1-2D C10OOH1-2E
!
C10OOH2-2A C10OOH2-2C C10OOH2-2D
C10OOH2-2E C10OOH2-2F
!
C10OOH3-2A C10OOH3-2B C10OOH3-2D
C10OOH3-2E C10OOH3-2F C10OOH3-2G
!
C10OOH4-2A C10OOH4-2B C10OOH4-2C
C10OOH4-2E C10OOH4-2F C10OOH4-2G
C10OOH4-2H
!
C10OOH5-2A C10OOH5-2B C10OOH5-2C
C10OOH5-2D C10OOH5-2F C10OOH5-2G
C10OOH5-2H C10OOH5-2I
!
C10OOH6-2B C10OOH6-2C C10OOH6-2D
C10OOH6-2E C10OOH6-2G C10OOH6-2H
C10OOH6-2I
!
C10OOH7-2C C10OOH7-2D C10OOH7-2E
C10OOH7-2F C10OOH7-2H C10OOH7-2I
!
C10OOH8-2D C10OOH8-2E C10OOH8-2F
C10OOH8-2G C10OOH8-2I
!
C10OOH9-2E C10OOH9-2F C10OOH9-2G
C10OOH9-2H
!
! 2-METHYLNONANE .OOQOOH SPECIES; C10H10 DENOTED AS C10
! A HYPHEN IS NOT USED TO INDICATE OOH POSITION
! A HYPHEN IS NOT USED TO INDICATE OO POSITION
! RADICAL SITE ON THE OXYGEN IN O2
C10OOH1-OO1-2 C10OOH1-OO2-2 C10OOH1-OO3-2
C10OOH1-OO4-2 C10OOH1-OO5-2
!
C10OOH2-OO1-2 C10OOH2-OO3-2 C10OOH2-OO4-2
C10OOH2-OO5-2 C10OOH2-OO6-2
!
C10OOH3-OO1-2 C10OOH3-OO2-2 C10OOH3-OO4-2
C10OOH3-OO5-2 C10OOH3-OO6-2 C10OOH3-OO7-2
!
C10OOH4-OO1-2 C10OOH4-OO2-2 C10OOH4-OO3-2
C10OOH4-OO5-2 C10OOH4-OO6-2 C10OOH4-OO7-2
C10OOH4-OO8-2
!
C10OOH5-OO1-2 C10OOH5-OO2-2 C10OOH5-OO3-2
C10OOH5-OO4-2 C10OOH5-OO6-2 C10OOH5-OO7-2
C10OOH5-OO8-2 C10OOH5-OO9-2
!
C10OOH6-OO2-2 C10OOH6-OO3-2 C10OOH6-OO4-2
C10OOH6-OO5-2 C10OOH6-OO7-2 C10OOH6-OO8-2
C10OOH6-OO9-2
!
C10OOH7-OO3-2 C10OOH7-OO4-2 C10OOH7-OO5-2
C10OOH7-OO6-2 C10OOH7-OO8-2 C10OOH7-OO9-2
!
C10OOH8-OO4-2 C10OOH8-OO5-2 C10OOH8-OO6-2
C10OOH8-OO7-2 C10OOH8-OO9-2
!
C10OOH9-OO5-2 C10OOH9-OO6-2 C10OOH9-OO7-2
C10OOH9-OO8-2
!
! 2-METHYLNONANE CYCLIC ETHER SPECIES; NO RADICAL SITES
C10H20O1-1-2 C10H20O1-2-2 C10H20O1-3-2
C10H20O1-4-2 C10H20O1-5-2
!
C10H20O2-3-2 C10H20O2-4-2 C10H20O2-5-2
C10H20O2-6-2
!
C10H20O3-4-2 C10H20O3-5-2 C10H20O3-6-2
C10H20O3-7-2
!
C10H20O4-5-2 C10H20O4-6-2 C10H20O4-7-2
C10H20O4-8-2
!
C10H20O5-6-2 C10H20O5-7-2 C10H20O5-8-2
C10H20O5-9-2
!
C10H20O6-7-2 C10H20O6-8-2 C10H20O6-9-2
!
C10H20O7-8-2 C10H20O7-9-2
!
C10H20O8-9-2
!
! 2-METHYLNONANE KETO-HYDROPEROXIDE (KET) SPECIES; C10H20-1DENOTED AS C10
! THERE ARE NO RADICAL SITES
! (1ST NUMBER IS KETENE GROUP; 2ND NUMBER IS OOH GROUP)
!
C10KET1-1-2 C10KET1-2-2 C10KET1-3-2
C10KET1-4-2 C10KET1-5-2
!
C10KET3-1-2 C10KET3-2-2 C10KET3-4-2
C10KET3-5-2 C10KET3-6-2 C10KET3-7-2
!
C10KET4-1-2 C10KET4-2-2 C10KET4-3-2
C10KET4-5-2 C10KET4-6-2 C10KET4-7-2
C10KET4-8-2
!
C10KET5-1-2 C10KET5-2-2 C10KET5-3-2
C10KET5-4-2 C10KET5-6-2 C10KET5-7-2
C10KET5-8-2 C10KET5-9-2
!
C10KET6-2-2 C10KET6-3-2 C10KET6-4-2
C10KET6-5-2 C10KET6-7-2 C10KET6-8-2
C10KET6-9-2
!
C10KET7-3-2 C10KET7-4-2 C10KET7-5-2
C10KET7-6-2 C10KET7-8-2 C10KET7-9-2
!
C10KET8-4-2 C10KET8-5-2 C10KET8-6-2
C10KET8-7-2 C10KET8-9-2
!
C10KET9-5-2 C10KET9-6-2 C10KET9-7-2
C10KET9-8-2
!
!
!
!
!
!
!
! 2-METHYLDECANE
! 2-METHYLDECANE AND ITS CORRESPONDING ALKYL RADICALS;
! RADICAL SITE DENOTED BY LETTER
C11H24-2
C11H23-2A C11H23-2B C11H23-2C C11H23-2D C11H23-2E
C11H23-2F
C11H23-2G C11H23-2H C11H23-2I C11H23-2J
!
! ALL 2-METHYLDECENES AND ITS CORRESPONDING ALKENYL RADICALS;
! RADICAL SITE DENOTED BY LETTER
C11H22-1-2 C11H22-2-2 C11H22-3-2 C11H22-4-2
C11H22-5-2 C11H22-6-2 C11H22-7-2 C11H22-8-2
C11H22-9-2
!
C11H21-1-2 !THIS SPECIES IS A LUMP OF THE VARIOUS C11H21-1-2 RADICALS BELOW
!
!
! 2-METHYLDECANE RO. SPECIES; RADICAL SITE ON THE OXYGEN
C11H23O-1-2 C11H23O-2-2 C11H23O-3-2
C11H23O-4-2 C11H23O-5-2 C11H23O-6-2
C11H23O-7-2 C11H23O-8-2 C11H23O-9-2
C11H23O-10-2
!
! 2-METHYLDECANE ROO. SPECIES; RADICAL SITE ON THE OXYGEN
C11H23OO-1-2 C11H23OO-2-2 C11H23OO-3-2
C11H23OO-4-2 C11H23OO-5-2 C11H23OO-6-2
C11H23OO-7-2 C11H23OO-8-2 C11H23OO-9-2
C11H23OO-10-2
!
! 2-METHYLDECANE ROOH SPECIES; NO RADICAL SITES
C11H23OOH-1-2 C11H23OOH-2-2 C11H23OOH-3-2
C11H23OOH-4-2 C11H23OOH-5-2 C11H23OOH-6-2
C11H23OOH-7-2 C11H23OOH-8-2 C11H23OOH-9-2
C11H23OOH-10-2
!
! 2-METHYLDECANE .QOOH SPECIES; C11H22-1DENOTED AS C11
! A HYPHEN IS NOT USED TO INDICATE OOH POSITION
! RADICAL SITE DENOTED BY LETTER;
! INCLUDES TRANSITION STATE RINGS OF 5, 6, 7, AND 8 ATOMS
C11OOH1-2A C11OOH1-2B C11OOH1-2C
C11OOH1-2D C11OOH1-2E
!
C11OOH2-2A C11OOH2-2C C11OOH2-2D
C11OOH2-2E C11OOH2-2F
!
C11OOH3-2A C11OOH3-2B C11OOH3-2D
C11OOH3-2E C11OOH3-2F C11OOH3-2G
!
C11OOH4-2A C11OOH4-2B C11OOH4-2C
C11OOH4-2E C11OOH4-2F C11OOH4-2G
C11OOH4-2H
!
C11OOH5-2A C11OOH5-2B C11OOH5-2C
C11OOH5-2D C11OOH5-2F C11OOH5-2G
C11OOH5-2H C11OOH5-2I
!
C11OOH6-2B C11OOH6-2C C11OOH6-2D
C11OOH6-2E C11OOH6-2G C11OOH6-2H
C11OOH6-2I C11OOH6-2J
!
C11OOH7-2C C11OOH7-2D C11OOH7-2E
C11OOH7-2F C11OOH7-2H C11OOH7-2I
C11OOH7-2J
!
C11OOH8-2D C11OOH8-2E C11OOH8-2F
C11OOH8-2G C11OOH8-2I C11OOH8-2J
!
C11OOH9-2E C11OOH9-2F C11OOH9-2G
C11OOH9-2H C11OOH9-2J
!
C11OOH10-2F C11OOH10-2G C11OOH10-2H
C11OOH10-2I
!
! 2-METHYLDECANE .OOQOOH SPECIES; C11H22-1DENOTED AS C11
! A HYPHEN IS NOT USED TO INDICATE OOH POSITION
! A HYPHEN IS NOT USED TO INDICATE OO POSITION
! RADICAL SITE ON THE OXYGEN IN O2
C11OOH1-OO1-2 C11OOH1-OO2-2 C11OOH1-OO3-2
C11OOH1-OO4-2 C11OOH1-OO5-2
!
C11OOH2-OO1-2 C11OOH2-OO3-2 C11OOH2-OO4-2
C11OOH2-OO5-2 C11OOH2-OO6-2
!
C11OOH3-OO1-2 C11OOH3-OO2-2 C11OOH3-OO4-2
C11OOH3-OO5-2 C11OOH3-OO6-2 C11OOH3-OO7-2
!
C11OOH4-OO1-2 C11OOH4-OO2-2 C11OOH4-OO3-2
C11OOH4-OO5-2 C11OOH4-OO6-2 C11OOH4-OO7-2
C11OOH4-OO8-2
!
C11OOH5-OO1-2 C11OOH5-OO2-2 C11OOH5-OO3-2
C11OOH5-OO4-2 C11OOH5-OO6-2 C11OOH5-OO7-2
C11OOH5-OO8-2 C11OOH5-OO9-2
!
C11OOH6-OO2-2 C11OOH6-OO3-2 C11OOH6-OO4-2
C11OOH6-OO5-2 C11OOH6-OO7-2 C11OOH6-OO8-2
C11OOH6-OO9-2 C11OOH6OO10-2
!
C11OOH7-OO3-2 C11OOH7-OO4-2 C11OOH7-OO5-2
C11OOH7-OO6-2 C11OOH7-OO8-2 C11OOH7-OO9-2
C11OOH7OO10-2
!
C11OOH8-OO4-2 C11OOH8-OO5-2 C11OOH8-OO6-2
C11OOH8-OO7-2 C11OOH8-OO9-2 C11OOH8OO10-2
!
C11OOH9-OO5-2 C11OOH9-OO6-2 C11OOH9-OO7-2
C11OOH9-OO8-2 C11OOH9OO10-2
!
C11OOH10OO6-2 C11OOH10OO7-2 C11OOH10OO8-2
C11OOH10OO9-2
!
! 2-METHYLDECANE CYCLIC ETHER SPECIES; NO RADICAL SITES
C11H22O1-1-2 C11H22O1-2-2 C11H22O1-3-2
C11H22O1-4-2 C11H22O1-5-2
!
C11H22O2-3-2 C11H22O2-4-2 C11H22O2-5-2
C11H22O2-6-2
!
C11H22O3-4-2 C11H22O3-5-2 C11H22O3-6-2
C11H22O3-7-2
!
C11H22O4-5-2 C11H22O4-6-2 C11H22O4-7-2
C11H22O4-8-2
!
C11H22O5-6-2 C11H22O5-7-2 C11H22O5-8-2
C11H22O5-9-2
!
C11H22O6-7-2 C11H22O6-8-2 C11H22O6-9-2
C11H22O6-10-2
!
C11H22O7-8-2 C11H22O7-9-2 C11H22O7-10-2
!
C11H22O8-9-2 C11H22O8-10-2
!
C11H22O9-10-2
!
!
! 2-METHYLDECANE KETO-HYDROPEROXIDE (KET) SPECIES; C11H22-1DENOTED AS C11
! THERE ARE NO RADICAL SITES
! (1ST NUMBER IS KETENE GROUP; 2ND NUMBER IS OOH GROUP)
!
C11KET1-1-2 C11KET1-2-2 C11KET1-3-2
C11KET1-4-2 C11KET1-5-2
!
C11KET3-1-2 C11KET3-2-2 C11KET3-4-2
C11KET3-5-2 C11KET3-6-2 C11KET3-7-2
!
C11KET4-1-2 C11KET4-2-2 C11KET4-3-2
C11KET4-5-2 C11KET4-6-2 C11KET4-7-2
C11KET4-8-2
!
C11KET5-1-2 C11KET5-2-2 C11KET5-3-2
C11KET5-4-2 C11KET5-6-2 C11KET5-7-2
C11KET5-8-2 C11KET5-9-2
!
C11KET6-2-2 C11KET6-3-2 C11KET6-4-2
C11KET6-5-2 C11KET6-7-2 C11KET6-8-2
C11KET6-9-2 C11KET6-10-2
!
C11KET7-3-2 C11KET7-4-2 C11KET7-5-2
C11KET7-6-2 C11KET7-8-2 C11KET7-9-2
C11KET7-10-2
!
C11KET8-4-2 C11KET8-5-2 C11KET8-6-2
C11KET8-7-2 C11KET8-9-2 C11KET8-10-2
!
C11KET9-5-2 C11KET9-6-2 C11KET9-7-2
C11KET9-8-2 C11KET9-10-2
!
C11KET10-6-2 C11KET10-7-2 C11KET10-8-2
C11KET10-9-2
!
!
!
!
!
!
!
!
!
!
! 2-METHYLUNDECANE
! 2-METHYLUNDECANE AND ITS CORRESPONDING ALKYL RADICALS;
! RADICAL SITE DENOTED BY LETTER
C12H26-2
C12H25-2A C12H25-2B C12H25-2C C12H25-2D C12H25-2E
C12H25-2F
C12H25-2G C12H25-2H C12H25-2I C12H25-2J C12H25-2K
!
! ALL 2-METHYLUNDECENES AND ITS CORRESPONDING ALKENYL RADICALS;
! RADICAL SITE DENOTED BY LETTER
C12H24-1-2 C12H24-2-2 C12H24-3-2 C12H24-4-2
C12H24-5-2 C12H24-6-2 C12H24-7-2 C12H24-8-2
C12H24-9-2 C12H24-10-2
!
C12H23-1-2 !THIS SPECIES IS A LUMP OF THE VARIOUS C12H23-1-2 RADICALS BELOW
!!
!
! 2-METHYLUNDECANE RO. SPECIES; RADICAL SITE ON THE OXYGEN
C12H25O-1-2 C12H25O-2-2 C12H25O-3-2
C12H25O-4-2 C12H25O-5-2 C12H25O-6-2
C12H25O-7-2 C12H25O-8-2 C12H25O-9-2
C12H25O-10-2 C12H25O-11-2
!
! 2-METHYLUNDECANE ROO. SPECIES; RADICAL SITE ON THE OXYGEN
C12H25OO-1-2 C12H25OO-2-2 C12H25OO-3-2
C12H25OO-4-2 C12H25OO-5-2 C12H25OO-6-2
C12H25OO-7-2 C12H25OO-8-2 C12H25OO-9-2
C12H25OO-10-2 C12H25OO-11-2
!
! 2-METHYLUNDECANE ROOH SPECIES; NO RADICAL SITES
C12H25OOH-1-2 C12H25OOH-2-2 C12H25OOH-3-2
C12H25OOH-4-2 C12H25OOH-5-2 C12H25OOH-6-2
C12H25OOH-7-2 C12H25OOH-8-2 C12H25OOH-9-2
C12H25OOH-10-2 C12H25OOH-11-2
!
! 2-METHYLUNDECANE .QOOH SPECIES; C12H24-1DENOTED AS C12
! A HYPHEN IS NOT USED TO INDICATE OOH POSITION
! RADICAL SITE DENOTED BY LETTER;
! INCLUDES TRANSITION STATE RINGS OF 5, 6, 7, AND 8 ATOMS
C12OOH1-2A C12OOH1-2B C12OOH1-2C
C12OOH1-2D C12OOH1-2E
!
C12OOH2-2A C12OOH2-2C C12OOH2-2D
C12OOH2-2E C12OOH2-2F
!
C12OOH3-2A C12OOH3-2B C12OOH3-2D
C12OOH3-2E C12OOH3-2F C12OOH3-2G
!
C12OOH4-2A C12OOH4-2B C12OOH4-2C
C12OOH4-2E C12OOH4-2F C12OOH4-2G
C12OOH4-2H
!
C12OOH5-2A C12OOH5-2B C12OOH5-2C
C12OOH5-2D C12OOH5-2F C12OOH5-2G
C12OOH5-2H C12OOH5-2I
!
C12OOH6-2B C12OOH6-2C C12OOH6-2D
C12OOH6-2E C12OOH6-2G C12OOH6-2H
C12OOH6-2I C12OOH6-2J
!
C12OOH7-2C C12OOH7-2D C12OOH7-2E
C12OOH7-2F C12OOH7-2H C12OOH7-2I
C12OOH7-2J C12OOH7-2K
!
C12OOH8-2D C12OOH8-2E C12OOH8-2F
C12OOH8-2G C12OOH8-2I C12OOH8-2J
C12OOH8-2K
!
C12OOH9-2E C12OOH9-2F C12OOH9-2G
C12OOH9-2H C12OOH9-2J C12OOH9-2K
!
C12OOH10-2F C12OOH10-2G C12OOH10-2H
C12OOH10-2I C12OOH10-2K
!
C12OOH11-2G C12OOH11-2H C12OOH11-2I
C12OOH11-2J
!
! 2-METHYLUNDECANE .OOQOOH SPECIES; C12H24-1DENOTED AS C12
! A HYPHEN IS NOT USED TO INDICATE OOH POSITION
! A HYPHEN IS NOT USED TO INDICATE OO POSITION
! RADICAL SITE ON THE OXYGEN IN O2
C12OOH1-OO1-2 C12OOH1-OO2-2 C12OOH1-OO3-2
C12OOH1-OO4-2 C12OOH1-OO5-2
!
C12OOH2-OO1-2 C12OOH2-OO3-2 C12OOH2-OO4-2
C12OOH2-OO5-2 C12OOH2-OO6-2
!
C12OOH3-OO1-2 C12OOH3-OO2-2 C12OOH3-OO4-2
C12OOH3-OO5-2 C12OOH3-OO6-2 C12OOH3-OO7-2
!
C12OOH4-OO1-2 C12OOH4-OO2-2 C12OOH4-OO3-2
C12OOH4-OO5-2 C12OOH4-OO6-2 C12OOH4-OO7-2
C12OOH4-OO8-2
!
C12OOH5-OO1-2 C12OOH5-OO2-2 C12OOH5-OO3-2
C12OOH5-OO4-2 C12OOH5-OO6-2 C12OOH5-OO7-2
C12OOH5-OO8-2 C12OOH5-OO9-2
!
C12OOH6-OO2-2 C12OOH6-OO3-2 C12OOH6-OO4-2
C12OOH6-OO5-2 C12OOH6-OO7-2 C12OOH6-OO8-2
C12OOH6-OO9-2 C12OOH6OO10-2
!
C12OOH7-OO3-2 C12OOH7-OO4-2 C12OOH7-OO5-2
C12OOH7-OO6-2 C12OOH7-OO8-2 C12OOH7-OO9-2
C12OOH7OO10-2 C12OOH7OO11-2
!
C12OOH8-OO4-2 C12OOH8-OO5-2 C12OOH8-OO6-2
C12OOH8-OO7-2 C12OOH8-OO9-2 C12OOH8OO10-2
C12OOH8OO11-2
!
C12OOH9-OO5-2 C12OOH9-OO6-2 C12OOH9-OO7-2
C12OOH9-OO8-2 C12OOH9OO10-2 C12OOH9OO11-2
!
C12OOH10OO6-2 C12OOH10OO7-2 C12OOH10OO8-2
C12OOH10OO9-2 C12OOH10OO11-2
!
C12OOH11OO7-2 C12OOH11OO8-2 C12OOH11OO9-2
C12OOH11OO10-2
!
! 2-METHYLUNDECANE CYCLIC ETHER SPECIES; NO RADICAL SITES
C12H24O1-1-2 C12H24O1-2-2 C12H24O1-3-2
C12H24O1-4-2 C12H24O1-5-2
!
C12H24O2-3-2 C12H24O2-4-2 C12H24O2-5-2
C12H24O2-6-2
!
C12H24O3-4-2 C12H24O3-5-2 C12H24O3-6-2
C12H24O3-7-2
!
C12H24O4-5-2 C12H24O4-6-2 C12H24O4-7-2
C12H24O4-8-2
!
C12H24O5-6-2 C12H24O5-7-2 C12H24O5-8-2
C12H24O5-9-2
!
C12H24O6-7-2 C12H24O6-8-2 C12H24O6-9-2
C12H24O6-10-2
!
C12H24O7-8-2 C12H24O7-9-2 C12H24O7-10-2
C12H24O7-11-2
!
C12H24O8-9-2 C12H24O8-10-2 C12H24O8-11-2
!
C12H24O9-10-2 C12H24O9-11-2
!
C12H24O10-11-2
!
!
! 2-METHYLUNDECANE KETO-HYDROPEROXIDE (KET) SPECIES; C12H24-1DENOTED AS C12
! THERE ARE NO RADICAL SITES
! (1ST NUMBER IS KETENE GROUP; 2ND NUMBER IS OOH GROUP)
!
C12KET1-1-2 C12KET1-2-2 C12KET1-3-2
C12KET1-4-2 C12KET1-5-2
!
C12KET3-1-2 C12KET3-2-2 C12KET3-4-2
C12KET3-5-2 C12KET3-6-2 C12KET3-7-2
!
C12KET4-1-2 C12KET4-2-2 C12KET4-3-2
C12KET4-5-2 C12KET4-6-2 C12KET4-7-2
C12KET4-8-2
!
C12KET5-1-2 C12KET5-2-2 C12KET5-3-2
C12KET5-4-2 C12KET5-6-2 C12KET5-7-2
C12KET5-8-2 C12KET5-9-2
!
C12KET6-2-2 C12KET6-3-2 C12KET6-4-2
C12KET6-5-2 C12KET6-7-2 C12KET6-8-2
C12KET6-9-2 C12KET6-10-2
!
C12KET7-3-2 C12KET7-4-2 C12KET7-5-2
C12KET7-6-2 C12KET7-8-2 C12KET7-9-2
C12KET7-10-2 C12KET7-11-2
!
C12KET8-4-2 C12KET8-5-2 C12KET8-6-2
C12KET8-7-2 C12KET8-9-2 C12KET8-10-2
C12KET8-11-2
!
C12KET9-5-2 C12KET9-6-2 C12KET9-7-2
C12KET9-8-2 C12KET9-10-2 C12KET9-11-2
!
C12KET10-6-2 C12KET10-7-2 C12KET10-8-2
C12KET10-9-2 C12KET10-11-2
!
C12KET11-7-2 C12KET11-8-2 C12KET11-9-2
C12KET11-10-2
!
!
!
!
! 2009-09-25 WJP: add missing species:
AC3H4CH2CHO C2H3CHCHO C6H5C2H C6H5C2H4P C6H5C2H4S
!
!
!
!
! TOLUO
!
C4H2
NC4H3 C7H6 C6H5CH3 C6H5CH2J
OC6H4CH3 HOC6H4CH3 OC6H4O HOC6H4CH2 HOC6H4CH2OO
HOC6H4CH2O RODC6JDO OXCCXCCJXO BICPD C6JYOO
CY13PD C6H5OH STYR DICYPD
CYC5H9 BICPDJ CXCC(C#C)XC CYPDONE
HCOCJXO CYC5H5OJ CYC5H5OH CYC5H4OH CXOCJOH
CPDJONE CXCCXCXO CJXCCXCXO CXCCCJXO
CXCCCO2J OXCCXCCXO CYC4H5O21 OXCCXCCJCXO CXOCXCCJ
!C5H5O1_1
C4H4 NC4H5
C6H5CH2OOJ C6H5CH2OOH C6H5CH2OJ C6H5CH2OH C6H5CHOH
C6H5CHO HOC6H4CH2OOH HOC6H4CHO HOC6H4CO C6H4OH
C6H5O2 C6H6 CY13PD5J C6H5OJ FULVENE
CYC5H8 CH2CY24PD CYC6H7 CXCCXCCJ LINC6H7
CXCCXCC CH3CY24PD CYC5H7U1 CXCCJCXC OXCJCXCCXC
CJXCCXO HCOHCO CPDOOH
OXCCXCCXCJ CXOCCCJCXO CXOCCXCJ OXCJCXCCCXO CXOCCCJXO
CXOCCCXO C14H14 C14H13 STYLBEN XYLENE
IND NAPH CXOCCJCXO CXOCCXO CPDCXC
DHCO2J FULVENYL C6H5 CPDJCH3
C6H4CH3 C6H5CJO YOC6JDO CXOCJCXO
C6H5C2H5 C12H10 PHCCHPH O2C6H4CH3
RODC6J(C)DO OCCXCCXCJC C5H4 C5H3
! LC6H5 removed, but leave in so flame restart files still work.
LC6H5 C6H4 CJCXCC#C CXCCXCCOH OC6H4CH2
!
CR1 CR2 CR3 CR4 CR5
C10H10 C10H9 C14H13OO
!
C6H5C2H2 CH2O2H PHENA
P-XYL MEC6H3CH3 PXYLCH2J
MEC6H4CHO MEC6H4CJO
HOMEC6H3CH3 OMEC6H3CH3 HO2MEC6H3CH3 O2MEC6H3CH3
MEC6H4CH2OJ MEC6H4CH2OH
PXYLCH2OOH PXYLCH2OOJ
!
!
!
!
!
END
REACTIONS CAL/MOLE
!
!PEROXY R-D. ISOMERIZTION TO ALK.HYDROPEROXY
!
C6H111O2-3=C6H101OOH3-4 2.000E+11 0.000 2.645E+04
C6H111O2-3=C6H101OOH3-5 2.500E+10 0.000 2.045E+04
C6H111O2-3=C6H101OOH3-6 9.376E+09 0.000 2.195E+04
C6H111O2-4=C6H101OOH4-3 2.000E+11 0.000 2.445E+04 !! -2000
C6H111O2-4=C6H101OOH4-5 2.000E+11 0.000 2.645E+04
C6H111O2-4=C6H101OOH4-6 3.750E+10 0.000 2.400E+04
C6H111O2-5=C6H101OOH5-3 2.500E+10 0.000 1.845E+04 !! -2000
C6H111O2-5=C6H101OOH5-4 2.000E+11 0.000 2.645E+04
C6H111O2-5=C6H101OOH5-6 3.000E+11 0.000 2.900E+04
C6H111O2-6=C6H101OOH6-3 3.125E+09 0.000 1.665E+04 !! -2000
C6H111O2-6=C6H101OOH6-4 2.500E+10 0.000 2.045E+04
C6H111O2-6=C6H101OOH6-5 2.000E+11 0.000 2.645E+04
!
!
!
C6H112O2-4=C6H102OOH4-5 2.00E+11 0.000 2.645E+04
C6H112O2-4=C6H102OOH4-6 3.75E+10 0.000 2.400E+04
C6H112O2-5=C6H102OOH5-4 2.00E+11 0.000 2.445E+04 !! -2000
C6H112O2-5=C6H102OOH5-6 3.00E+11 0.000 2.900E+04
C6H112O2-6=C6H102OOH6-4 2.500E+10 0.000 1.845E+04 !! -2000
C6H112O2-6=C6H102OOH6-5 2.00E+11 0.000 2.645E+04
!
!
!
C6H113O2-1=C6H103OOH1-2 2.000E+11 0.000 2.445E+04 !! -2000
C6H113O2-2=C6H103OOH2-1 3.00E+11 0.000 2.900E+04
!
!
!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! !
! CLASS 19 ETEROCYCLE FORMATION ! OX-NE NOT INCLUDED
! !
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!
!
!ETEROCYCLE FORM-TION (COMPLETE LIST) (X -LL)
!
C6H101OOH3-4=>ETES1 + OH 6.000E+11 0.000 22000.0
C6H101OOH3-5=>MVOX + OH 7.500E+10 0.000 15250.0
C6H101OOH3-4=>VTHF + OH 9.375E+09 0.000 07000.0
C6H101OOH4-3=>EDHF + OH 9.375E+09 0.000 07000.0 !MM 9.375E+09
C6H101OOH4-3=>ETES1 + OH 6.000E+11 0.000 22000.0 !MM 6.000E+11
C6H101OOH4-5=>ETES1 + OH 6.000E+11 0.000 22000.0
C6H101OOH4-6=>ETES1 + OH 7.500E+10 0.000 15250.0
C6H101OOH5-3=>MVOX + OH 7.500E+10 0.000 15250.0 !MM 7.500E+10
C6H101OOH5-4=>ETES1 + OH 6.000E+11 0.000 22000.0
C6H101OOH5-6=>ETES1 + OH 6.000E+11 0.000 22000.0
C6H101OOH6-3=>VTHF + OH 9.375E+09 0.000 07000.0 !MM
C6H101OOH6-4=>ETES1 + OH 7.500E+10 0.000 15250.0
C6H101OOH6-5=>ETES1 + OH 6.000E+11 0.000 22000.0
!C6H112O2-1=>EDHF + OH .200E+11 .000 19100.0 !!!DIFFERENT CLASS
!
!
C6H102OOH4-5=>ETES1 + OH 6.000E+11 0.000 22000.0
C6H102OOH4-6=>ETES1 + OH 7.500E+10 0.000 15250.0
C6H102OOH5-4=>ETES1 + OH 6.000E+11 0.000 22000.0 !MM
C6H102OOH5-6=>ETES1 + OH 6.000E+11 0.000 22000.0
C6H102OOH6-4=>ETES1 + OH 7.500E+10 0.000 15250.0 !MM
C6H102OOH6-5=>ETES1 + OH 6.000E+11 0.000 22000.0
!C6H112O2-1=>EDHF + OH .200E+11 .000 19100.0 !!!DIFFERENT CLASS
!
!
C6H103OOH2-1=>ETES1 + OH 6.000E+11 0.000 22000.0
C6H103OOH1-2=>ETES1 + OH 6.000E+11 0.000 22000.0 !MM
!C6H112O2-1=>EDHF + OH .200E+11 .000 19100.0 !!!DIFFERENT CLASS
!
!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! !
! CLASS 20 HO2 + DIOLEFIN FORMATION ! -A> HO2 -DDITION ON DIENES
! !
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!
!
!
HO2+C6H101-3<=>C6H101OOH3-4 4.85E+11 0.000 1.00E+04
HO2+C6H101-3<=>C6H101OOH4-3 4.85E+11 0.000 0.90E+04
HO2+C6H101-4<=>C6H101OOH4-5 3.40E+11 0.000 1.18E+04 !MM /2
HO2+C6H101-4<=>C6H101OOH5-4 3.40E+11 0.000 1.18E+04 !MM /2
HO2+C6H101-5<=>C6H101OOH5-6 1.00E+12 0.000 1.37E+04
HO2+C6H101-5<=>C6H101OOH6-5 1.00E+12 0.000 1.37E+04
!
!
HO2+C6H102-4<=>C6H102OOH4-5 3.80E+11 0.000 8.80E+03
HO2+C6H102-4<=>C6H102OOH5-4 3.80E+11 0.000 7.80E+03
HO2+C6H101-4<=>C6H102OOH5-6 1.00E+12 0.000 1.37E+04
HO2+C6H101-4<=>C6H102OOH6-5 1.00E+12 0.000 1.37E+04
!
!
HO2+C6H101-3<=>C6H103OOH2-1 4.85E+11 0.000 1.00E+04
HO2+C6H101-3<=>C6H103OOH1-2 4.85E+11 0.000 0.90E+04
!
!
!
!
!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! !
! CLASS 20B HO2 + OLEFIN FORMATION ! -A> HO2 -DDITION ON HEXENES
! !
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!
!
C6H12-1+HO2<=>C6H12OOH1-2 1.00E+12 0.000 1.37E+04
C6H12-1+HO2<=>C6H12OOH2-1 1.00E+12 0.000 1.37E+04
!
C6H12-2+HO2<=>C6H12OOH2-3 6.80E+11 0.000 1.18E+04
C6H12-2+HO2<=>C6H12OOH3-2 6.80E+11 0.000 1.18E+04
!
C6H12-3+HO2<=>C6H12OOH3-4 6.80E+11 0.000 1.18E+04
!
!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! !
! CLASS 21 QOOH DECOMPOSITIONS !
! !
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!
!
!
!BET-ADECOMPOSITION
!
C6H101OOH3-4=>CH3+AC3H5OOH+C2H2 .3000E+14 .000 33500.0
C6H101OOH3-5=>OH+C3H6+C2H3CHO .3000E+14 .000 23000.0
C6H101OOH3-6=>HO2+C4H6+C2H4 .3000E+14 .000 30000.0
C6H101OOH4-3=>C2H5+CH3O2H+C3H2 .1000E+14 .000 35000.0
C6H101OOH4-5=>C3H5-A+AC3H5OOH .3000E+14 .000 23000.0
C6H101OOH4-6=>OH+C2H3COCH3+C2H4 .3000E+14 .000 30000.0
C6H101OOH5-3=>OH+C4H6+CH3CHO .1000E+14 .000 35000.0
C6H101OOH5-4=>CH3+CH3O2H+2C2H2 .3000E+14 .000 33500.0
C6H101OOH5-6=>C4H71-4+C2H3OOH .3000E+14 .000 30000.0
C6H101OOH6-3=>HO2+C4H6+C2H4 .1000E+14 .000 35000.0
C6H101OOH6-4=>OH+C5H81-4+CH2O .3000E+14 .000 29500.0
C6H101OOH6-5=>C3H5-A+AC3H5OOH .3000E+14 .000 23000.0
!
!
C6H102OOH4-6=>OH+C2H3COCH3+C2H4 .3000E+14 .000 22000.0
C6H102OOH5-6=>C4H71-3+CH2CHO + OH .3000E+14 .000 22000.0
C6H102OOH6-4=>OH+C5H81-3+CH2O .1000E+14 .000 35000.0
C6H102OOH6-5=>C3H5-T+AC3H5OOH .3000E+14 .000 39000.0
!
!
C6H103OOH2-1=>C4H71-4+CH2CHO + OH .3000E+14 .000 39000.0
!
!
!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! !
! CLASS 22 O2 ADDITION ON QOOH !
! !
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!
!
!
C6H101OOH3-4 + O2=C6H101OOH3-4O2 .7540E+13 .000 .0
C6H101OOH3-5 + O2=C6H101OOH3-5O2 .7540E+13 .000 .0
C6H101OOH3-6 + O2=C6H101OOH3-6O2 .4520E+13 .000 .0
C6H101OOH4-3 + O2=C6H101OOH4-3O2 .2000E+13 .000 .0
C6H101OOH4-5 + O2=C6H101OOH4-5O2 .7540E+13 .000 .0
C6H101OOH4-6 + O2=C6H101OOH4-6O2 .4520E+13 .000 .0
C6H101OOH5-3 + O2=C6H101OOH5-3O2 .2000E+13 .000 .0
C6H101OOH5-4 + O2=C6H101OOH5-4O2 .7540E+13 .000 .0
C6H101OOH5-6 + O2=C6H101OOH5-6O2 .4520E+13 .000 .0
C6H101OOH6-3 + O2=C6H101OOH6-3O2 .2000E+13 .000 .0
C6H101OOH6-4 + O2=C6H101OOH6-4O2 .7540E+13 .000 .0
C6H101OOH6-5 + O2=C6H101OOH6-5O2 .7540E+13 .000 .0
!
!
!
C6H102OOH4-5 + O2=C6H102OOH4-5O2 .7540E+13 .000 .0
C6H102OOH4-6 + O2=C6H102OOH4-6O2 .4520E+13 .000 .0
C6H102OOH5-4 + O2=C6H102OOH5-4O2 .1000E+13 .000 .0
C6H102OOH5-6 + O2=C6H102OOH5-6O2 .4520E+13 .000 .0
C6H102OOH6-4 + O2=C6H102OOH6-4O2 .1000E+13 .000 .0
C6H102OOH6-5 + O2=C6H102OOH6-5O2 .7540E+13 .000 .0
C6H103OOH2-1 + O2=C6H103OOH2-1O2 .4520E+13 .000 .0
C6H103OOH1-2 + O2=C6H103OOH1-2O2 .1000E+13 .000 .0
!
!
!
!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! !
! CLASS 23 KETOHYDRO PEROX. FORMATION !
! !
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!
!
C6H101OOH3-4O2=>NC6D1KET34 + OH 1.000E+11 0.000 2.145E+04 ! -2000
C6H101OOH3-5O2=>NC6D1KET35 + OH 1.250E+10 0.000 1.545E+04 ! -2000
C6H101OOH3-6O2=>NC6D1KET36 + OH 1.563E+09 0.000 1.365E+04 ! -2000
C6H101OOH4-3O2=>NC6D1KET43 + OH 1.00E+11 0.000 2.345E+04
C6H101OOH4-5O2=>NC6D1KET45 + OH 1.00E+11 0.000 2.345E+04
C6H101OOH4-6O2=>NC6D1KET46 + OH 1.25E+10 0.000 1.745E+04
C6H101OOH5-3O2=>NC6D1KET53 + OH 1.25E+10 0.000 1.745E+04
C6H101OOH5-4O2=>NC6D1KET54 + OH 1.00E+11 0.000 2.345E+04
C6H101OOH5-6O2=>NC6D1KET56 + OH 1.00E+11 0.000 2.345E+04
C6H101OOH6-3O2=>NC6D1KET63 + OH 3.12E+09 0.000 2.215E+04
C6H101OOH6-4O2=>NC6D1KET64 + OH 2.50E+10 0.000 2.100E+04
C6H101OOH6-5O2=>NC6D1KET65 + OH 2.00E+11 0.000 2.615E+04
!
!
C6H102OOH4-5O2=>NC6D2KET45 + OH 1.000E+11 0.000 2.145E+04 ! -2000
C6H102OOH4-6O2=>NC6D2KET46 + OH 1.250E+10 0.000 1.545E+04 ! -2000
C6H102OOH5-4O2=>NC6D2KET54 + OH 1.00E+11 0.000 2.345E+04
C6H102OOH5-6O2=>NC6D2KET56 + OH 1.00E+11 0.000 2.345E+04
C6H102OOH6-4O2=>NC6D2KET64 + OH 2.50E+10 0.000 2.100E+04
C6H102OOH6-5O2=>NC6D2KET65 + OH 2.00E+11 0.000 2.600E+04
!
!
C6H103OOH2-1O2=>NC6D3KET21 + OH 1.000E+11 0.000 2.145E+04 ! -2000
C6H103OOH1-2O2=>NC6D3KET12 + OH 2.00E+11 0.000 2.600E+04
!
!
!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! !
! CLASS 23 KETOHYDROPEROXIDE DECOMPOSITION !
! !
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!
!
!
NC6D1KET34=>OH+C2H3+CO+C2H5CHO .1000E+17 .000 39000.0
NC6D1KET35=>OH+CH2CHO+C2H3COCH3 .5000E+16 .000 39000.0
NC6D1KET35=>OH+CH3+CO+C2H3COCH3 .5000E+16 .000 39000.0
NC6D1KET36=>OH+C2H3+CO+CH2O+C2H4 .1000E+17 .000 39000.0
NC6D1KET43=>OH+C3H5O+C2H3CHO .1000E+17 .000 39000.0
NC6D1KET45=>OH+C2H3+CH3CHO+CH2CO .1000E+17 .000 39000.0
NC6D1KET46=>OH+C3H5-A+CO+CH3CHO .1000E+17 .000 39000.0
NC6D1KET53=>OH+C2H5CO+C2H3CHO .1000E+17 .000 39000.0
NC6D1KET54=>OH+C3H5-A+CO+CH3CHO .1000E+17 .000 39000.0
NC6D1KET56=>OH+C3H5-A+CH2CO+CH2O .1000E+17 .000 39000.0
NC6D1KET63=>OH+C2H3CHO+HCO+C2H4 .1000E+17 .000 39000.0
NC6D1KET64=>OH+C3H5-A+CH3CHO+CO .5000E+16 .000 39000.0
NC6D1KET64=>OH+CH2CHO+AC3H5CHO .5000E+16 .000 39000.0
NC6D1KET65=>OH+HCO+CH2CO+C3H6 .1000E+17 .000 39000.0
!
!
NC6D2KET45=>OH+C3H5-T+CO+CH3CHO .1000E+17 .000 39000.0
NC6D2KET46=>OH+C3H5-T+CH2CO+CH2O .1000E+17 .000 39000.0
NC6D2KET54=>OH+CH2CHO+C2H3COCH3 .1000E+17 .000 39000.0
NC6D2KET56=>OH+C3H5-T+CH2O+CH2CO .1000E+17 .000 39000.0
NC6D2KET64=>OH+CH2CHO+C2H3COCH3 .1000E+17 .000 39000.0
NC6D2KET65=>OH+C4H71-3+CO+CH2O .1000E+17 .000 39000.0
!
!
NC6D3KET21=>OH+C4H71-4+CO+CH2O .1000E+17 .000 39000.0
NC6D3KET12=>OH+HCO+C4H7CHO1-4 .1000E+17 .000 39000.0 !! C4H7CHO1-4
NOT ACTUAL PRODUCT
!
!
!
!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! !
! CLASS 2X WADDINGTON !
! !
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!
!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!
!
!
!
!
!
!DIRECT DECOMPOSITIONS OF C6H12OH-X WERE DELETED!!!!
!
!AND SUBSTITUTED BY THE FOLLOWING:
!
!
C6H12OH-1=>CH3CHO+PC4H9 1.500E+13 .000 3.000E+04
C6H12OH-1=>C2H5CHO+NC3H7 1.500E+13 .000 3.000E+04
!
!
C6H12OH-2=>NC3H7CHO+C2H5 1.500E+13 .000 3.000E+04
C6H12OH-2=>NC4H9CHO+CH3 1.500E+13 .000 3.000E+04
!
!
C6H12OH-3=>NC3H7CHO+C2H5 3.000E+13 .000 3.000E+04
!
!
!
C6H12-3+O<=>NC3H7+C2H5CO 1.000E+11 0.00 -1.050E+03
!
!
!
!
!TERMINATION HO2
!
C6H111-4+HO2=C6H111O2H-4 .9000E+13 .000 .0
C6H111-5+HO2=C6H111O2H-5 .9000E+13 .000 .0
C6H111-6+HO2=C6H111O2H-6 .9000E+13 .000 .0
!
!
C6H112-5+HO2=C6H112O2H-5 .9000E+13 .000 .0
C6H112-6+HO2=C6H112O2H-6 .9000E+13 .000 .0
C6H112-4+HO2=C6H113O2H-2 .4000E+13 .000 .0
C6H112-4+HO2=C6H112O2H-4 .4000E+13 .000 .0
!
C6H113-1+HO2=C6H113O2H-1 .9000E+13 .000 .0
!
!
!
!
!
!OH ELIMINATION
!
C6H112O2-1=>C2H3COC3H7 + OH .4000E+13 .000 38000.0 !!! KES1-
A>C2H3COC3H7 -CTU-LLY C5H9CHO...
C6H111O2-3=>C2H3COC3H7 + OH .4000E+13 .000 38000.0 !!! KES1-
A>C2H3COC3H7
C6H101OOH3-6=>C2H3COC3H7 + OH .1000E+12 .000 16700.0 !!! KES1-
A>C2H3COC3H7
!
!
!
!
!
!
!
!
!
!
!HYDROPEROXIDE DECOMPOSITION
!
C6H111O2H-4=>OH+C2H5CHO+C3H5-A .1000E+17 .000 39000.0
C6H111O2H-5=>OH+CH3CHO+C4H71-4 .1000E+17 .000 39000.0
C6H111O2H-6=>OH+CH2O+C5H91-5 .1000E+17 .000 39000.0
!
!
C6H112O2H-4=>OH+C2H3COCH3+C2H5 .1000E+17 .000 39000.0
C6H112O2H-5=>OH+CH3CHO+C4H71-3 .1000E+17 .000 39000.0
C6H112O2H-6=>OH+CH2O+C5H91-5 .1000E+17 .000 39000.0
C6H113O2H-2=>OH+CH3CHO+C4H71-4 .1000E+17 .000 39000.0
C6H113O2H-1=>OH+CH2O+C5H91-3 .1000E+17 .000 39000.0
!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!
!
!
!
!ACTIVATION OF THE HO2 --> OH
!
!
!
!
!
!
!
!
!ABSTRACTION ON ETEROCYCLES
!
O2 +ETES1=>HO2 +C2H3COCH3+C2H3 .2045E+08 2.0 40722.49
H +ETES1=>H2 +C2H3COCH3+C2H3 .2574E+08 2.0 3950.57
OH +ETES1=>H2O +C2H3COCH3+C2H3 .4793E+07 2.0 -2259.83
O +ETES1=>OH +C2H3COCH3+C2H3 .1624E+08 2.0 2579.54
HO2 +ETES1=>H2O2 +C2H3COCH3+C2H3 .6465E+06 2.0 11887.73
HCO +ETES1=>CH2O +C2H3COCH3+C2H3 .1516E+07 2.0 12360.44
CH3 +ETES1=>CH4 +C2H3COCH3+C2H3 .4684E+06 2.0 4871.29
C2H5 +ETES1=>C2H6 +C2H3COCH3+C2H3 .2758E+06 2.0 7658.07
CH3O +ETES1=>CH3OH +C2H3COCH3+C2H3 .5136E+06 2.0 1583.56
CH3O2 +ETES1=>CH3O2H+C2H3COCH3+C2H3 .9133E+06 2.0 12360.44
O2 +MVOX=>HO2 +C2H3COCH3+C2H3 .2045E+08 2.0 40722.49
H +MVOX=>H2 +C2H3COCH3+C2H3 .2574E+08 2.0 3950.57
OH +MVOX=>H2O +C2H3COCH3+C2H3 .4793E+07 2.0 -2259.83
O +MVOX=>OH +C2H3COCH3+C2H3 .1624E+08 2.0 2579.54
HO2 +MVOX=>H2O2 +C2H3COCH3+C2H3 .6465E+06 2.0 11887.73
HCO +MVOX=>CH2O +C2H3COCH3+C2H3 .1516E+07 2.0 12360.44
CH3 +MVOX=>CH4 +C2H3COCH3+C2H3 .4684E+06 2.0 4871.29
C2H5 +MVOX=>C2H6 +C2H3COCH3+C2H3 .2758E+06 2.0 7658.07
CH3O2 +MVOX=>CH3O2H +C2H3COCH3+C2H3 .9133E+06 2.0 12360.44
C2H3 +MVOX=>C2H4 +C2H3COCH3+C2H3 .8139E+06 2.0 4871.29
CH3O +MVOX=>CH3OH +C2H3COCH3+C2H3 .5136E+06 2.0 1583.56
O2 +VTHF=>HO2 +C2H3COCH3+C2H3 .2045E+08 2.0 40722.49
H +VTHF=>H2 +C2H3COCH3+C2H3 .2574E+08 2.0 3950.57
OH +VTHF=>H2O +C2H3COCH3+C2H3 .4793E+07 2.0 -2259.83
O +VTHF=>OH +C2H3COCH3+C2H3 .1624E+08 2.0 2579.54
HO2 +VTHF=>H2O2 +C2H3COCH3+C2H3 .6465E+06 2.0 11887.73
HCO +VTHF=>CH2O +C2H3COCH3+C2H3 .1516E+07 2.0 12360.44
CH3 +VTHF=>CH4 +C2H3COCH3+C2H3 .4684E+06 2.0 4871.29
C2H5 +VTHF=>C2H6 +C2H3COCH3+C2H3 .2758E+06 2.0 7658.07
CH3O +VTHF=>CH3OH +C2H3COCH3+C2H3 .5136E+06 2.0 1583.56
CH3O2 +VTHF=>CH3O2H +C2H3COCH3+C2H3 .9133E+06 2.0 12360.44
C2H3 +VTHF=>C2H4 +C2H3COCH3+C2H3 .8139E+06 2.0 4871.29
O2 +EDHF=>HO2 +C2H3COCH3+C2H3 .2045E+08 2.0 40722.49
H +EDHF=>H2 +C2H3COCH3+C2H3 .2574E+08 2.0 3950.57
OH +EDHF=>H2O +C2H3COCH3+C2H3 .4793E+07 2.0 -2259.83
O +EDHF=>OH +C2H3COCH3+C2H3 .1624E+08 2.0 2579.54
HO2 +EDHF=>H2O2 +C2H3COCH3+C2H3 .6465E+06 2.0 11887.73
HCO +EDHF=>CH2O +C2H3COCH3+C2H3 .1516E+07 2.0 12360.44
CH3 +EDHF=>CH4 +C2H3COCH3+C2H3 .4684E+06 2.0 4871.29
C2H5 +EDHF=>C2H6 +C2H3COCH3+C2H3 .2758E+06 2.0 7658.07
C2H3 +EDHF=>C2H4 +C2H3COCH3+C2H3 .8139E+06 2.0 4871.29
CH3O2 +EDHF=>CH3O2H +C2H3COCH3+C2H3 .9133E+06 2.0 12360.44
CH3O +EDHF=>CH3OH +C2H3COCH3+C2H3 .5136E+06 2.0 1583.56
!
!ADDITIONAL ABSTRACTION
!
O2 +C5H81-4=>HO2 +C3H5-A+C2H2 .5111E+07 2.0 40722.49
H +C5H81-4=>H2 +C3H5-A+C2H2 .6435E+07 2.0 3950.57
OH +C5H81-4=>H2O +C3H5-A+C2H2 .1198E+07 2.0 -2259.83
O +C5H81-4=>OH +C3H5-A+C2H2 .4060E+07 2.0 2579.54
HO2 +C5H81-4=>H2O2 +C3H5-A+C2H2 .1616E+06 2.0 11887.73
HCO +C5H81-4=>CH2O +C3H5-A+C2H2 .3789E+06 2.0 12360.44
CH3 +C5H81-4=>CH4 +C3H5-A+C2H2 .1171E+06 2.0 4871.29
C2H5 +C5H81-4=>C2H6 +C3H5-A+C2H2 .6895E+05 2.0 7658.07
CH3O +C5H81-4=>CH3OH +C3H5-A+C2H2 .1284E+06 2.0 1583.56
CH3O2 +C5H81-4=>CH3O2H+C3H5-A+C2H2 .2283E+06 2.0 12360.44
C2H3 +C5H81-4=>C2H4 +C3H5-A+C2H2 .2035E+06 2.0 4871.29
!
!!ADDITION ON DIOLEFIN
!
C6H101-3+H<=>C6H111-3 2.50E+11 0.50 2620
C6H101-3+H<=>C6H111-4 2.50E+11 0.50 2620
C6H101-3+H<=>C6H113-1 4.25E+11 0.50 1230
C6H101-3+H<=>C6H112-4 2.50E+11 0.50 2620
!
C6H101-4+H<=>C6H111-4 2.50E+11 0.50 2620
C6H101-4+H<=>C6H111-5 2.50E+11 0.50 2620
C6H101-4+H<=>C6H112-5 4.25E+11 0.50 1230
C6H101-4+H<=>C6H112-6 2.50E+11 0.50 2620
!
C6H101-5+H<=>C6H111-5 4.25E+11 0.50 1230
C6H101-5+H<=>C6H111-6 2.50E+11 0.50 2620
!
!
C6H101-3+O=>C5H91-3+HCO 2.000E+11 0.00 -1.050E+03
C6H101-4+O=>C5H92-5+HCO 2.000E+11 0.00 -1.050E+03
C6H101-5+O=>C5H91-5+HCO 2.000E+11 0.00 -1.050E+03
!
!
C6H101-3 + OH=>C5H91-3+CH2O 1.000E+12 0.000 0.000E+00
C6H101-4 + OH=>C5H92-5+CH2O 1.000E+12 0.000 0.000E+00
C6H101-5 + OH=>C5H91-5+CH2O 1.000E+12 0.000 0.000E+00
!
!
!
C6H101-3 + OH=>C2H3+C4H6+H2O 2.764E+04 2.64 -1.919E+03
C6H101-4 + OH=>C2H3+C4H6+H2O 2.764E+04 2.64 -1.919E+03
C6H101-5 + OH=>C2H3+C4H6+H2O 2.764E+04 2.64 -1.919E+03
!
!
C6H101-3+HO2=>C2H3+C4H6+H2O2 4.820E+03 2.55 1.053E+04
C6H101-4+HO2=>C2H3+C4H6+H2O2 4.820E+03 2.55 1.053E+04
C6H101-5+HO2=>C2H3+C4H6+H2O2 4.820E+03 2.55 1.053E+04
!
C6H101-3+H=>C2H3+C4H6+H2 3.376E+05 2.36 2.070E+02
C6H101-4+H=>C2H3+C4H6+H2 3.376E+05 2.36 2.070E+02
C6H101-5+H=>C2H3+C4H6+H2 3.376E+05 2.36 2.070E+02
!
!
!
!
!
!
!!!!!!C 8-C16 N-ALKANE MECHANISM FROM LLNL WITH ONLY HIGH TEMPERATURE RXNS (CLASSES
1-9)!!!!!!!!!!!
!
!
!
!
! UNIMOLECULAR REACTIONS OF ALKANES
!
! CLASS 1
!
! DECOMPOSITION AND RECOMBINATION REACTIONS
!
!
C12H25-1+H = NC12H26 1.00E+14 0. 0.
C12H25-2+H = NC12H26 1.00E+14 0. 0.
C12H25-3+H = NC12H26 1.00E+14 0. 0.
C12H25-4+H = NC12H26 1.00E+14 0. 0.
C12H25-5+H = NC12H26 1.00E+14 0. 0.
C12H25-6+H = NC12H26 1.00E+14 0. 0.
!
C11H23-1+CH3 = NC12H26 1.00E+13 0. 0.
C10H21-1+C2H5 = NC12H26 8.00E+12 0. 0.
C9H19-1+NC3H7 = NC12H26 8.00E+12 0. 0.
C8H17-1+PC4H9 = NC12H26 8.00E+12 0. 0.
C7H15-1+C5H11-1 = NC12H26 8.00E+12 0. 0.
C6H13-1+C6H13-1 = NC12H26 8.00E+12 0. 0.
!
C11H23-1+H = NC11H24 1.00E+14 0. 0.
C11H23-2+H = NC11H24 1.00E+14 0. 0.
C11H23-3+H = NC11H24 1.00E+14 0. 0.
C11H23-4+H = NC11H24 1.00E+14 0. 0.
C11H23-5+H = NC11H24 1.00E+14 0. 0.
C11H23-6+H = NC11H24 1.00E+14 0. 0.
!
C10H21-1+CH3 = NC11H24 1.00E+13 0. 0.
C9H19-1+C2H5 = NC11H24 8.00E+12 0. 0.
C8H17-1+NC3H7 = NC11H24 8.00E+12 0. 0.
C7H15-1+PC4H9 = NC11H24 8.00E+12 0. 0.
C6H13-1+C5H11-1 = NC11H24 8.00E+12 0. 0.
!
C10H21-1+H = NC10H22 1.00E+14 0. 0.
C10H21-2+H = NC10H22 1.00E+14 0. 0.
C10H21-3+H = NC10H22 1.00E+14 0. 0.
C10H21-4+H = NC10H22 1.00E+14 0. 0.
C10H21-5+H = NC10H22 1.00E+14 0. 0.
!
C9H19-1+CH3 = NC10H22 1.00E+13 0. 0.
C8H17-1+C2H5 = NC10H22 8.00E+12 0. 0.
C7H15-1+NC3H7 = NC10H22 8.00E+12 0. 0.
C6H13-1+PC4H9 = NC10H22 8.00E+12 0. 0.
C5H11-1+C5H11-1 = NC10H22 8.00E+12 0. 0.
!
C9H19-1+H = NC9H20 1.00E+14 0. 0.
C9H19-2+H = NC9H20 1.00E+14 0. 0.
C9H19-3+H = NC9H20 1.00E+14 0. 0.
C9H19-4+H = NC9H20 1.00E+14 0. 0.
C9H19-5+H = NC9H20 1.00E+14 0. 0.
!
C8H17-1+CH3 = NC9H20 1.00E+13 0. 0.
C7H15-1+C2H5 = NC9H20 8.00E+12 0. 0.
C6H13-1+NC3H7 = NC9H20 8.00E+12 0. 0.
C5H11-1+PC4H9 = NC9H20 8.00E+12 0. 0.
!
C8H17-1+H = NC8H18 1.00E+14 0. 0.
C8H17-2+H = NC8H18 1.00E+14 0. 0.
C8H17-3+H = NC8H18 1.00E+14 0. 0.
C8H17-4+H = NC8H18 1.00E+14 0. 0.
!
C7H15-1+CH3 = NC8H18 1.00E+13 0. 0.
C6H13-1+C2H5 = NC8H18 8.00E+12 0. 0.
C5H11-1+NC3H7 = NC8H18 8.00E+12 0. 0.
PC4H9+PC4H9 = NC8H18 8.00E+12 0. 0.
!
!
! CLASS 2
!
! H ATOM ABSTRACTION
!
!
!
NC12H26+H = C12H25-1+H2 1.330E+06 2.54 6.756E+03
NC12H26+H = C12H25-2+H2 2.600E+06 2.40 4.471E+03
NC12H26+H = C12H25-3+H2 2.600E+06 2.40 4.471E+03
NC12H26+H = C12H25-4+H2 2.600E+06 2.40 4.471E+03
NC12H26+H = C12H25-5+H2 2.600E+06 2.40 4.471E+03
NC12H26+H = C12H25-6+H2 2.600E+06 2.40 4.471E+03
!
NC12H26 + OH = C12H25-1+H2O 1.056E+10 0.97 1.590E+03
NC12H26 + OH = C12H25-2+H2O 9.400E+07 1.61 -3.500E+01
NC12H26 + OH = C12H25-3+H2O 9.400E+07 1.61 -3.500E+01
NC12H26 + OH = C12H25-4+H2O 9.400E+07 1.61 -3.500E+01
NC12H26 + OH = C12H25-5+H2O 9.400E+07 1.61 -3.500E+01
NC12H26 + OH = C12H25-6+H2O 9.400E+07 1.61 -3.500E+01
!
NC12H26+O = C12H25-1 + OH 1.960E+06 2.43 4.750E+03
NC12H26+O = C12H25-2 + OH 1.100E+06 2.45 2.830E+03
NC12H26+O = C12H25-3 + OH 1.100E+06 2.45 2.830E+03
NC12H26+O = C12H25-4 + OH 1.100E+06 2.45 2.830E+03
NC12H26+O = C12H25-5 + OH 1.100E+06 2.45 2.830E+03
NC12H26+O = C12H25-6 + OH 1.100E+06 2.45 2.830E+03
!
NC12H26+HO2 = C12H25-1+H2O2 4.080E+01 3.59 1.716E+04
NC12H26+HO2 = C12H25-2+H2O2 1.264E+02 3.37 1.372E+04
NC12H26+HO2 = C12H25-3+H2O2 1.264E+02 3.37 1.372E+04
NC12H26+HO2 = C12H25-4+H2O2 1.264E+02 3.37 1.372E+04
NC12H26+HO2 = C12H25-5+H2O2 1.264E+02 3.37 1.372E+04
NC12H26+HO2 = C12H25-6+H2O2 1.264E+02 3.37 1.372E+04
!
NC12H26+CH3 = C12H25-1+CH4 9.060E-01 3.65 7.154E+03
NC12H26+CH3 = C12H25-2+CH4 3.020E+00 3.46 5.481E+03
NC12H26+CH3 = C12H25-3+CH4 3.020E+00 3.46 5.481E+03
NC12H26+CH3 = C12H25-4+CH4 3.020E+00 3.46 5.481E+03
NC12H26+CH3 = C12H25-5+CH4 3.020E+00 3.46 5.481E+03
NC12H26+CH3 = C12H25-6+CH4 3.020E+00 3.46 5.481E+03
!
NC12H26 + O2 = C12H25-1+HO2 6.000E+13 0.00 5.229E+04
NC12H26 + O2 = C12H25-2+HO2 4.000E+13 0.00 4.964E+04
NC12H26 + O2 = C12H25-3+HO2 4.000E+13 0.00 4.964E+04
NC12H26 + O2 = C12H25-4+HO2 4.000E+13 0.00 4.964E+04
NC12H26 + O2 = C12H25-5+HO2 4.000E+13 0.00 4.964E+04
NC12H26 + O2 = C12H25-6+HO2 4.000E+13 0.00 4.964E+04
!
NC12H26+C2H3 = C12H25-1+C2H4 1.000E+12 0.00 1.800E+04
NC12H26+C2H3 = C12H25-2+C2H4 8.000E+11 0.00 1.680E+04
NC12H26+C2H3 = C12H25-3+C2H4 8.000E+11 0.00 1.680E+04
NC12H26+C2H3 = C12H25-4+C2H4 8.000E+11 0.00 1.680E+04
NC12H26+C2H3 = C12H25-5+C2H4 8.000E+11 0.00 1.680E+04
NC12H26+C2H3 = C12H25-6+C2H4 8.000E+11 0.00 1.680E+04
!
NC12H26+C2H5 = C12H25-1+C2H6 1.000E+11 0.00 1.340E+04
NC12H26+C2H5 = C12H25-2+C2H6 1.000E+11 0.00 1.040E+04
NC12H26+C2H5 = C12H25-3+C2H6 1.000E+11 0.00 1.040E+04
NC12H26+C2H5 = C12H25-4+C2H6 1.000E+11 0.00 1.040E+04
NC12H26+C2H5 = C12H25-5+C2H6 1.000E+11 0.00 1.040E+04
NC12H26+C2H5 = C12H25-6+C2H6 1.000E+11 0.00 1.040E+04
!
!
NC12H26+CH3O<=>C12H25-1+CH3OH 4.340E+11 0.00 6.458E+03
NC12H26+CH3O<=>C12H25-2+CH3OH 2.900E+11 0.00 4.571E+03
NC12H26+CH3O<=>C12H25-3+CH3OH 2.900E+11 0.00 4.571E+03
NC12H26+CH3O<=>C12H25-4+CH3OH 2.900E+11 0.00 4.571E+03
NC12H26+CH3O<=>C12H25-5+CH3OH 2.900E+11 0.00 4.571E+03
NC12H26+CH3O<=>C12H25-6+CH3OH 2.900E+11 0.00 4.571E+03
!
!
NC12H26+CH3O2<=>C12H25-1+CH3O2H 1.386E+00 3.97 1.828E+04
NC12H26+CH3O2<=>C12H25-2+CH3O2H 2.037E+01 3.58 1.481E+04
NC12H26+CH3O2<=>C12H25-3+CH3O2H 2.037E+01 3.58 1.481E+04
NC12H26+CH3O2<=>C12H25-4+CH3O2H 2.037E+01 3.58 1.481E+04
NC12H26+CH3O2<=>C12H25-5+CH3O2H 2.037E+01 3.58 1.481E+04
NC12H26+CH3O2<=>C12H25-6+CH3O2H 2.037E+01 3.58 1.481E+04
!
!
!
NC12H26 + O2CHO<=>C12H25-1+HO2CHO 1.680E+13 0.00 2.044E+04
NC12H26 + O2CHO<=>C12H25-2+HO2CHO 1.120E+13 0.00 1.769E+04
NC12H26 + O2CHO<=>C12H25-3+HO2CHO 1.120E+13 0.00 1.769E+04
NC12H26 + O2CHO<=>C12H25-4+HO2CHO 1.120E+13 0.00 1.769E+04
NC12H26 + O2CHO<=>C12H25-5+HO2CHO 1.120E+13 0.00 1.769E+04
NC12H26 + O2CHO<=>C12H25-6+HO2CHO 1.120E+13 0.00 1.769E+04
!
!
!
NC11H24+H = C11H23-1+H2 1.330E+06 2.54 6.756E+03
NC11H24+H = C11H23-2+H2 2.600E+06 2.40 4.471E+03
NC11H24+H = C11H23-3+H2 2.600E+06 2.40 4.471E+03
NC11H24+H = C11H23-4+H2 2.600E+06 2.40 4.471E+03
NC11H24+H = C11H23-5+H2 2.600E+06 2.40 4.471E+03
NC11H24+H = C11H23-6+H2 1.170E+07 2.40 4.471E+03
!
NC11H24 + OH = C11H23-1+H2O 1.056E+10 0.97 1.590E+03
NC11H24 + OH = C11H23-2+H2O 9.400E+07 1.61 -3.500E+01
NC11H24 + OH = C11H23-3+H2O 9.400E+07 1.61 -3.500E+01
NC11H24 + OH = C11H23-4+H2O 9.400E+07 1.61 -3.500E+01
NC11H24 + OH = C11H23-5+H2O 9.400E+07 1.61 -3.500E+01
NC11H24 + OH = C11H23-6+H2O 4.700E+07 1.61 -3.500E+01
!
NC11H24+O = C11H23-1 + OH 1.960E+06 2.43 4.750E+03
NC11H24+O = C11H23-2 + OH 1.100E+06 2.45 2.830E+03
NC11H24+O = C11H23-3 + OH 1.100E+06 2.45 2.830E+03
NC11H24+O = C11H23-4 + OH 1.100E+06 2.45 2.830E+03
NC11H24+O = C11H23-5 + OH 1.100E+06 2.45 2.830E+03
NC11H24+O = C11H23-6 + OH 5.500E+05 2.45 2.830E+03
!
NC11H24+HO2 = C11H23-1+H2O2 4.080E+01 3.59 1.716E+04
NC11H24+HO2 = C11H23-2+H2O2 1.264E+02 3.37 1.372E+04
NC11H24+HO2 = C11H23-3+H2O2 1.264E+02 3.37 1.372E+04
NC11H24+HO2 = C11H23-4+H2O2 1.264E+02 3.37 1.372E+04
NC11H24+HO2 = C11H23-5+H2O2 1.264E+02 3.37 1.372E+04
NC11H24+HO2 = C11H23-6+H2O2 6.32E+01 3.37 1.372E+04
!
NC11H24+CH3 = C11H23-1+CH4 9.060E-01 3.65 7.154E+03
NC11H24+CH3 = C11H23-2+CH4 3.020E+00 3.46 5.481E+03
NC11H24+CH3 = C11H23-3+CH4 3.020E+00 3.46 5.481E+03
NC11H24+CH3 = C11H23-4+CH4 3.020E+00 3.46 5.481E+03
NC11H24+CH3 = C11H23-5+CH4 3.020E+00 3.46 5.481E+03
NC11H24+CH3 = C11H23-6+CH4 1.360E+01 3.46 5.481E+03
!
NC11H24 + O2 = C11H23-1+HO2 6.000E+13 0.00 5.229E+04
NC11H24 + O2 = C11H23-2+HO2 4.000E+13 0.00 4.964E+04
NC11H24 + O2 = C11H23-3+HO2 4.000E+13 0.00 4.964E+04
NC11H24 + O2 = C11H23-4+HO2 4.000E+13 0.00 4.964E+04
NC11H24 + O2 = C11H23-5+HO2 4.000E+13 0.00 4.964E+04
NC11H24 + O2 = C11H23-6+HO2 2.000E+13 0.00 4.964E+04
!
NC11H24+C2H3 = C11H23-1+C2H4 1.000E+12 0.00 1.800E+04
NC11H24+C2H3 = C11H23-2+C2H4 8.000E+11 0.00 1.680E+04
NC11H24+C2H3 = C11H23-3+C2H4 8.000E+11 0.00 1.680E+04
NC11H24+C2H3 = C11H23-4+C2H4 8.000E+11 0.00 1.680E+04
NC11H24+C2H3 = C11H23-5+C2H4 8.000E+11 0.00 1.680E+04
NC11H24+C2H3 = C11H23-6+C2H4 4.000E+11 0.00 1.680E+04
!
NC11H24+C2H5 = C11H23-1+C2H6 1.000E+11 0.00 1.340E+04
NC11H24+C2H5 = C11H23-2+C2H6 1.000E+11 0.00 1.040E+04
NC11H24+C2H5 = C11H23-3+C2H6 1.000E+11 0.00 1.040E+04
NC11H24+C2H5 = C11H23-4+C2H6 1.000E+11 0.00 1.040E+04
NC11H24+C2H5 = C11H23-5+C2H6 1.000E+11 0.00 1.040E+04
NC11H24+C2H5 = C11H23-6+C2H6 5.000E+10 0.00 1.040E+04
!
NC11H24+CH3O<=>C11H23-1+CH3OH 4.340E+11 0.00 6.458E+03
NC11H24+CH3O<=>C11H23-2+CH3OH 2.900E+11 0.00 4.571E+03
NC11H24+CH3O<=>C11H23-3+CH3OH 2.900E+11 0.00 4.571E+03
NC11H24+CH3O<=>C11H23-4+CH3OH 2.900E+11 0.00 4.571E+03
NC11H24+CH3O<=>C11H23-5+CH3OH 2.900E+11 0.00 4.571E+03
NC11H24+CH3O<=>C11H23-6+CH3OH 1.450E+11 0.00 4.571E+03
!
!
NC11H24+CH3O2<=>C11H23-1+CH3O2H 1.386E+00 3.97 1.828E+04
NC11H24+CH3O2<=>C11H23-2+CH3O2H 2.037E+01 3.58 1.481E+04
NC11H24+CH3O2<=>C11H23-3+CH3O2H 2.037E+01 3.58 1.481E+04
NC11H24+CH3O2<=>C11H23-4+CH3O2H 2.037E+01 3.58 1.481E+04
NC11H24+CH3O2<=>C11H23-5+CH3O2H 2.037E+01 3.58 1.481E+04
NC11H24+CH3O2<=>C11H23-6+CH3O2H 1.018E+01 3.58 1.481E+04
!
!
!
NC11H24 + O2CHO<=>C11H23-1+HO2CHO 1.680E+13 0.00 2.044E+04
NC11H24 + O2CHO<=>C11H23-2+HO2CHO 1.120E+13 0.00 1.769E+04
NC11H24 + O2CHO<=>C11H23-3+HO2CHO 1.120E+13 0.00 1.769E+04
NC11H24 + O2CHO<=>C11H23-4+HO2CHO 1.120E+13 0.00 1.769E+04
NC11H24 + O2CHO<=>C11H23-5+HO2CHO 1.120E+13 0.00 1.769E+04
NC11H24 + O2CHO<=>C11H23-6+HO2CHO 5.600E+12 0.00 1.769E+04
!
!
NC10H22+H = C10H21-1+H2 1.330E+06 2.54 6.756E+03
NC10H22+H = C10H21-2+H2 2.600E+06 2.40 4.471E+03
NC10H22+H = C10H21-3+H2 2.600E+06 2.40 4.471E+03
NC10H22+H = C10H21-4+H2 2.600E+06 2.40 4.471E+03
NC10H22+H = C10H21-5+H2 2.600E+06 2.40 4.471E+03
!
NC10H22 + OH = C10H21-1+H2O 1.056E+10 0.97 1.590E+03
NC10H22 + OH = C10H21-2+H2O 9.400E+07 1.61 -3.500E+01
NC10H22 + OH = C10H21-3+H2O 9.400E+07 1.61 -3.500E+01
NC10H22 + OH = C10H21-4+H2O 9.400E+07 1.61 -3.500E+01
NC10H22 + OH = C10H21-5+H2O 9.400E+07 1.61 -3.500E+01
!
NC10H22+O = C10H21-1 + OH 1.960E+06 2.43 4.750E+03
NC10H22+O = C10H21-2 + OH 1.100E+06 2.45 2.830E+03
NC10H22+O = C10H21-3 + OH 1.100E+06 2.45 2.830E+03
NC10H22+O = C10H21-4 + OH 1.100E+06 2.45 2.830E+03
NC10H22+O = C10H21-5 + OH 1.100E+06 2.45 2.830E+03
!
NC10H22+HO2 = C10H21-1+H2O2 4.080E+01 3.59 1.716E+04
NC10H22+HO2 = C10H21-2+H2O2 1.264E+02 3.37 1.372E+04
NC10H22+HO2 = C10H21-3+H2O2 1.264E+02 3.37 1.372E+04
NC10H22+HO2 = C10H21-4+H2O2 1.264E+02 3.37 1.372E+04
NC10H22+HO2 = C10H21-5+H2O2 1.264E+02 3.37 1.372E+04
!
NC10H22+CH3 = C10H21-1+CH4 9.060E-01 3.65 7.154E+03
NC10H22+CH3 = C10H21-2+CH4 3.020E+00 3.46 5.481E+03
NC10H22+CH3 = C10H21-3+CH4 3.020E+00 3.46 5.481E+03
NC10H22+CH3 = C10H21-4+CH4 3.020E+00 3.46 5.481E+03
NC10H22+CH3 = C10H21-5+CH4 3.020E+00 3.46 5.481E+03
!
NC10H22 + O2 = C10H21-1+HO2 6.000E+13 0.00 5.229E+04
NC10H22 + O2 = C10H21-2+HO2 4.000E+13 0.00 4.964E+04
NC10H22 + O2 = C10H21-3+HO2 4.000E+13 0.00 4.964E+04
NC10H22 + O2 = C10H21-4+HO2 4.000E+13 0.00 4.964E+04
NC10H22 + O2 = C10H21-5+HO2 4.000E+13 0.00 4.964E+04
!
NC10H22+C2H3 = C10H21-1+C2H4 1.000E+12 0.00 1.800E+04
NC10H22+C2H3 = C10H21-2+C2H4 8.000E+11 0.00 1.680E+04
NC10H22+C2H3 = C10H21-3+C2H4 8.000E+11 0.00 1.680E+04
NC10H22+C2H3 = C10H21-4+C2H4 8.000E+11 0.00 1.680E+04
NC10H22+C2H3 = C10H21-5+C2H4 8.000E+11 0.00 1.680E+04
!
NC10H22+C2H5 = C10H21-1+C2H6 1.000E+11 0.00 1.340E+04
NC10H22+C2H5 = C10H21-2+C2H6 1.000E+11 0.00 1.040E+04
NC10H22+C2H5 = C10H21-3+C2H6 1.000E+11 0.00 1.040E+04
NC10H22+C2H5 = C10H21-4+C2H6 1.000E+11 0.00 1.040E+04
NC10H22+C2H5 = C10H21-5+C2H6 1.000E+11 0.00 1.040E+04
!
NC10H22+CH3O<=>C10H21-1+CH3OH 4.340E+11 0.00 6.458E+03
NC10H22+CH3O<=>C10H21-2+CH3OH 2.900E+11 0.00 4.571E+03
NC10H22+CH3O<=>C10H21-3+CH3OH 2.900E+11 0.00 4.571E+03
NC10H22+CH3O<=>C10H21-4+CH3OH 2.900E+11 0.00 4.571E+03
NC10H22+CH3O<=>C10H21-5+CH3OH 2.900E+11 0.00 4.571E+03
!
!
NC10H22+CH3O2<=>C10H21-1+CH3O2H 1.386E+00 3.97 1.828E+04
NC10H22+CH3O2<=>C10H21-2+CH3O2H 2.037E+01 3.58 1.481E+04
NC10H22+CH3O2<=>C10H21-3+CH3O2H 2.037E+01 3.58 1.481E+04
NC10H22+CH3O2<=>C10H21-4+CH3O2H 2.037E+01 3.58 1.481E+04
NC10H22+CH3O2<=>C10H21-5+CH3O2H 2.037E+01 3.58 1.481E+04
!
!
!
NC10H22 + O2CHO<=>C10H21-1+HO2CHO 1.680E+13 0.00 2.044E+04
NC10H22 + O2CHO<=>C10H21-2+HO2CHO 1.120E+13 0.00 1.769E+04
NC10H22 + O2CHO<=>C10H21-3+HO2CHO 1.120E+13 0.00 1.769E+04
NC10H22 + O2CHO<=>C10H21-4+HO2CHO 1.120E+13 0.00 1.769E+04
NC10H22 + O2CHO<=>C10H21-5+HO2CHO 1.120E+13 0.00 1.769E+04
!
!
NC9H20+H = C9H19-1+H2 1.330E+06 2.54 6.756E+03
NC9H20+H = C9H19-2+H2 2.600E+06 2.40 4.471E+03
NC9H20+H = C9H19-3+H2 2.600E+06 2.40 4.471E+03
NC9H20+H = C9H19-4+H2 2.600E+06 2.40 4.471E+03
NC9H20+H = C9H19-5+H2 1.170E+07 2.40 4.471E+03
!!
NC9H20 + OH = C9H19-1+H2O 1.056E+10 0.97 1.590E+03
NC9H20 + OH = C9H19-2+H2O 9.400E+07 1.61 -3.500E+01
NC9H20 + OH = C9H19-3+H2O 9.400E+07 1.61 -3.500E+01
NC9H20 + OH = C9H19-4+H2O 9.400E+07 1.61 -3.500E+01
NC9H20 + OH = C9H19-5+H2O 4.700E+07 1.61 -3.500E+01
!!
NC9H20+O = C9H19-1 + OH 1.960E+06 2.43 4.750E+03
NC9H20+O = C9H19-2 + OH 1.100E+06 2.45 2.830E+03
NC9H20+O = C9H19-3 + OH 1.100E+06 2.45 2.830E+03
NC9H20+O = C9H19-4 + OH 1.100E+06 2.45 2.830E+03
NC9H20+O = C9H19-5 + OH 5.500E+05 2.45 2.830E+03
!!
NC9H20+HO2 = C9H19-1+H2O2 4.080E+01 3.59 1.716E+04
NC9H20+HO2 = C9H19-2+H2O2 1.264E+02 3.37 1.372E+04
NC9H20+HO2 = C9H19-3+H2O2 1.264E+02 3.37 1.372E+04
NC9H20+HO2 = C9H19-4+H2O2 1.264E+02 3.37 1.372E+04
NC9H20+HO2 = C9H19-5+H2O2 6.32E+01 3.37 1.372E+04
!
NC9H20+CH3 = C9H19-1+CH4 9.060E-01 3.65 7.154E+03
NC9H20+CH3 = C9H19-2+CH4 3.020E+00 3.46 5.481E+03
NC9H20+CH3 = C9H19-3+CH4 3.020E+00 3.46 5.481E+03
NC9H20+CH3 = C9H19-4+CH4 3.020E+00 3.46 5.481E+03
NC9H20+CH3 = C9H19-5+CH4 1.360E+01 3.46 5.481E+03
!
NC9H20 + O2 = C9H19-1+HO2 6.000E+13 0.00 5.229E+04
NC9H20 + O2 = C9H19-2+HO2 4.000E+13 0.00 4.964E+04
NC9H20 + O2 = C9H19-3+HO2 4.000E+13 0.00 4.964E+04
NC9H20 + O2 = C9H19-4+HO2 4.000E+13 0.00 4.964E+04
NC9H20 + O2 = C9H19-5+HO2 2.000E+13 0.00 4.964E+04
!
NC9H20+C2H3 = C9H19-1+C2H4 1.000E+12 0.00 1.800E+04
NC9H20+C2H3 = C9H19-2+C2H4 8.000E+11 0.00 1.680E+04
NC9H20+C2H3 = C9H19-3+C2H4 8.000E+11 0.00 1.680E+04
NC9H20+C2H3 = C9H19-4+C2H4 8.000E+11 0.00 1.680E+04
NC9H20+C2H3 = C9H19-5+C2H4 4.000E+11 0.00 1.680E+04
!
NC9H20+C2H5 = C9H19-1+C2H6 1.000E+11 0.00 1.340E+04
NC9H20+C2H5 = C9H19-2+C2H6 1.000E+11 0.00 1.040E+04
NC9H20+C2H5 = C9H19-3+C2H6 1.000E+11 0.00 1.040E+04
NC9H20+C2H5 = C9H19-4+C2H6 1.000E+11 0.00 1.040E+04
NC9H20+C2H5 = C9H19-5+C2H6 5.000E+10 0.00 1.040E+04
!
NC9H20+CH3O<=>C9H19-1+CH3OH 4.340E+11 0.00 6.458E+03
NC9H20+CH3O<=>C9H19-2+CH3OH 2.900E+11 0.00 4.571E+03
NC9H20+CH3O<=>C9H19-3+CH3OH 2.900E+11 0.00 4.571E+03
NC9H20+CH3O<=>C9H19-4+CH3OH 2.900E+11 0.00 4.571E+03
NC9H20+CH3O<=>C9H19-5+CH3OH 1.450E+11 0.00 4.571E+03
!
!
NC9H20+CH3O2<=>C9H19-1+CH3O2H 1.386E+00 3.97 1.828E+04
NC9H20+CH3O2<=>C9H19-2+CH3O2H 2.037E+01 3.58 1.481E+04
NC9H20+CH3O2<=>C9H19-3+CH3O2H 2.037E+01 3.58 1.481E+04
NC9H20+CH3O2<=>C9H19-4+CH3O2H 2.037E+01 3.58 1.481E+04
NC9H20+CH3O2<=>C9H19-5+CH3O2H 1.018E+01 3.58 1.481E+04
!
!
!
NC9H20 + O2CHO<=>C9H19-1+HO2CHO 1.680E+13 0.00 2.044E+04
NC9H20 + O2CHO<=>C9H19-2+HO2CHO 1.120E+13 0.00 1.769E+04
NC9H20 + O2CHO<=>C9H19-3+HO2CHO 1.120E+13 0.00 1.769E+04
NC9H20 + O2CHO<=>C9H19-4+HO2CHO 1.120E+13 0.00 1.769E+04
NC9H20 + O2CHO<=>C9H19-5+HO2CHO 5.600E+12 0.00 1.769E+04
!
!
NC8H18+H = C8H17-1+H2 1.330E+06 2.54 6.756E+03
NC8H18+H = C8H17-2+H2 2.600E+06 2.40 4.471E+03
NC8H18+H = C8H17-3+H2 2.600E+06 2.40 4.471E+03
NC8H18+H = C8H17-4+H2 2.600E+06 2.40 4.471E+03
!
NC8H18 + OH = C8H17-1+H2O 1.056E+10 0.97 1.590E+03
NC8H18 + OH = C8H17-2+H2O 9.400E+07 1.61 -3.500E+01
NC8H18 + OH = C8H17-3+H2O 9.400E+07 1.61 -3.500E+01
NC8H18 + OH = C8H17-4+H2O 9.400E+07 1.61 -3.500E+01
!
NC8H18+O = C8H17-1 + OH 1.960E+06 2.43 4.750E+03
NC8H18+O = C8H17-2 + OH 1.100E+06 2.45 2.830E+03
NC8H18+O = C8H17-3 + OH 1.100E+06 2.45 2.830E+03
NC8H18+O = C8H17-4 + OH 1.100E+06 2.45 2.830E+03
!
NC8H18+HO2 = C8H17-1+H2O2 4.080E+01 3.59 1.716E+04
NC8H18+HO2 = C8H17-2+H2O2 1.264E+02 3.37 1.372E+04
NC8H18+HO2 = C8H17-3+H2O2 1.264E+02 3.37 1.372E+04
NC8H18+HO2 = C8H17-4+H2O2 1.264E+02 3.37 1.372E+04
!
NC8H18+CH3 = C8H17-1+CH4 9.060E-01 3.65 7.154E+03
NC8H18+CH3 = C8H17-2+CH4 3.020E+00 3.46 5.481E+03
NC8H18+CH3 = C8H17-3+CH4 3.020E+00 3.46 5.481E+03
NC8H18+CH3 = C8H17-4+CH4 3.020E+00 3.46 5.481E+03
!
NC8H18 + O2 = C8H17-1+HO2 6.000E+13 0.00 5.229E+04
NC8H18 + O2 = C8H17-2+HO2 4.000E+13 0.00 4.964E+04
NC8H18 + O2 = C8H17-3+HO2 4.000E+13 0.00 4.964E+04
NC8H18 + O2 = C8H17-4+HO2 4.000E+13 0.00 4.964E+04
!
NC8H18+C2H3 = C8H17-1+C2H4 1.000E+12 0.00 1.800E+04
NC8H18+C2H3 = C8H17-2+C2H4 8.000E+11 0.00 1.680E+04
NC8H18+C2H3 = C8H17-3+C2H4 8.000E+11 0.00 1.680E+04
NC8H18+C2H3 = C8H17-4+C2H4 8.000E+11 0.00 1.680E+04
!
NC8H18+C2H5 = C8H17-1+C2H6 1.000E+11 0.00 1.340E+04
NC8H18+C2H5 = C8H17-2+C2H6 1.000E+11 0.00 1.040E+04
NC8H18+C2H5 = C8H17-3+C2H6 1.000E+11 0.00 1.040E+04
NC8H18+C2H5 = C8H17-4+C2H6 1.000E+11 0.00 1.040E+04
!
!
NC8H18+CH3O<=>C8H17-1+CH3OH 4.340E+11 0.00 6.458E+03
NC8H18+CH3O<=>C8H17-2+CH3OH 2.900E+11 0.00 4.571E+03
NC8H18+CH3O<=>C8H17-3+CH3OH 2.900E+11 0.00 4.571E+03
NC8H18+CH3O<=>C8H17-4+CH3OH 2.900E+11 0.00 4.571E+03
!
!
NC8H18+CH3O2<=>C8H17-1+CH3O2H 1.386E+00 3.97 1.828E+04
NC8H18+CH3O2<=>C8H17-2+CH3O2H 2.037E+01 3.58 1.481E+04
NC8H18+CH3O2<=>C8H17-3+CH3O2H 2.037E+01 3.58 1.481E+04
NC8H18+CH3O2<=>C8H17-4+CH3O2H 2.037E+01 3.58 1.481E+04
!
!
!
NC8H18 + O2CHO<=>C8H17-1+HO2CHO 1.680E+13 0.00 2.044E+04
NC8H18 + O2CHO<=>C8H17-2+HO2CHO 1.120E+13 0.00 1.769E+04
NC8H18 + O2CHO<=>C8H17-3+HO2CHO 1.120E+13 0.00 1.769E+04
NC8H18 + O2CHO<=>C8H17-4+HO2CHO 1.120E+13 0.00 1.769E+04
!
!
! CLASS 3
!
! ALKYL DECOMPOSITION
!
!
!
C12H25-1 = C2H4+C10H21-1 9.12E+11 0.31 27238.0
H+C12H24-1 = C12H25-1 2.500E+11 0.51 2620.0
!
C12H25-2 = C3H6+C9H19-1 6.00E+11 0.50 27650.0
H+C12H24-1 = C12H25-2 4.240E+11 0.51 1230.0
H+C12H24-2 = C12H25-2 2.500E+11 0.51 2620.0
!
C12H25-3 = C4H8-1+C8H17-1 6.00E+11 0.50 27650.0
C12H25-3 = CH3+C11H22-1 9.55E+09 1.08 29388.0
H+C12H24-2 = C12H25-3 2.500E+11 0.51 2620.0
H+C12H24-3 = C12H25-3 2.500E+11 0.51 2620.0
!
C12H25-4 = C5H10-1+C7H15-1 6.00E+11 0.50 27650.0
C12H25-4 = C2H5+C10H20-1 6.00E+11 0.50 27650.0
H+C12H24-3 = C12H25-4 2.500E+11 0.51 2620.0
H+C12H24-4 = C12H25-4 2.500E+11 0.51 2620.0
!
C12H25-5 = C6H12-1+C6H13-1 6.00E+11 0.50 27650.0
C12H25-5 = NC3H7+C9H18-1 6.00E+11 0.50 27650.0
H+C12H24-4 = C12H25-5 2.500E+11 0.51 2620.0
H+C12H24-5 = C12H25-5 2.500E+11 0.51 2620.0
!
C12H25-6 = C7H14-1+C5H11-1 6.00E+11 0.50 27650.0
C12H25-6 = PC4H9+C8H16-1 6.00E+11 0.50 27650.0
H+C12H24-5 = C12H25-6 2.500E+11 0.51 2620.0
H+C12H24-6 = C12H25-6 2.500E+11 0.51 2620.0
!
!
C11H23-1 = C2H4+C9H19-1 9.12E+11 0.31 27238.0
H+C11H22-1 = C11H23-1 2.500E+11 0.51 2620.0
!
C11H23-2 = C3H6+C8H17-1 6.00E+11 0.50 27650.0
H+C11H22-1 = C11H23-2 4.240E+11 0.51 1230.0
H+C11H22-2 = C11H23-2 2.500E+11 0.51 2620.0
!
C11H23-3 = C4H8-1+C7H15-1 6.00E+11 0.50 27650.0
C11H23-3 = CH3+C10H20-1 9.55E+09 1.08 29388.0
H+C11H22-2 = C11H23-3 2.500E+11 0.51 2620.0
H+C11H22-3 = C11H23-3 2.500E+11 0.51 2620.0
!
C11H23-4 = C5H10-1+C6H13-1 6.00E+11 0.50 27650.0
C11H23-4 = C2H5+C9H18-1 6.00E+11 0.50 27650.0
H+C11H22-3 = C11H23-4 2.500E+11 0.51 2620.0
H+C11H22-4 = C11H23-4 2.500E+11 0.51 2620.0
!
C11H23-5 = C6H12-1+C5H11-1 6.00E+11 0.50 27650.0
C11H23-5 = NC3H7+C8H16-1 6.00E+11 0.50 27650.0
H+C11H22-4 = C11H23-5 2.500E+11 0.51 2620.0
H+C11H22-5 = C11H23-5 2.500E+11 0.51 2620.0
!
C11H23-6 = C7H14-1+PC4H9 6.00E+11 0.50 27650.0
H+C11H22-5 = C11H23-6 2.500E+11 0.51 2620.0
!
!
C10H21-1 = C2H4+C8H17-1 9.12E+11 0.31 27238.0
H+C10H20-1 = C10H21-1 2.500E+11 0.51 2620.0
!
C10H21-2 = C3H6+C7H15-1 6.00E+11 0.50 27650.0
H+C10H20-1 = C10H21-2 4.240E+11 0.51 1230.0
H+C10H20-2 = C10H21-2 2.500E+11 0.51 2620.0
!
C10H21-3 = C4H8-1+C6H13-1 6.00E+11 0.50 27650.0
C10H21-3 = CH3+C9H18-1 9.55E+09 1.08 29388.0
H+C10H20-2 = C10H21-3 2.500E+11 0.51 2620.0
H+C10H20-3 = C10H21-3 2.500E+11 0.51 2620.0
!
C10H21-4 = C5H10-1+C5H11-1 6.00E+11 0.50 27650.0
C10H21-4 = C2H5+C8H16-1 6.00E+11 0.50 27650.0
H+C10H20-3 = C10H21-4 2.500E+11 0.51 2620.0
H+C10H20-4 = C10H21-4 2.500E+11 0.51 2620.0
!
C10H21-5 = C6H12-1+PC4H9 6.00E+11 0.50 27650.0
C10H21-5 = NC3H7+C7H14-1 6.00E+11 0.50 27650.0
H+C10H20-4 = C10H21-5 2.500E+11 0.51 2620.0
H+C10H20-5 = C10H21-5 2.500E+11 0.51 2620.0
!
!
C9H19-1 = C2H4+C7H15-1 9.12E+11 0.31 27238.0
H+C9H18-1 = C9H19-1 2.500E+11 0.51 2620.0
!
C9H19-2 = C3H6+C6H13-1 6.00E+11 0.50 27650.0
H+C9H18-1 = C9H19-2 4.240E+11 0.51 1230.0
H+C9H18-2 = C9H19-2 2.500E+11 0.51 2620.0
!
C9H19-3 = C4H8-1+C5H11-1 6.00E+11 0.50 27650.0
C9H19-3 = CH3+C8H16-1 9.55E+09 1.08 29388.0
H+C9H18-2 = C9H19-3 2.500E+11 0.51 2620.0
H+C9H18-3 = C9H19-3 2.500E+11 0.51 2620.0
!
C9H19-4 = C5H10-1+PC4H9 6.00E+11 0.50 27650.0
C9H19-4 = C2H5+C7H14-1 6.00E+11 0.50 27650.0
H+C9H18-3 = C9H19-4 2.500E+11 0.51 2620.0
H+C9H18-4 = C9H19-4 2.500E+11 0.51 2620.0
!
C9H19-5 = C6H12-1+NC3H7 6.00E+11 0.50 27650.0
H+C9H18-4 = C9H19-5 2.500E+11 0.51 2620.0
!
!
C8H17-1 = C2H4+C6H13-1 9.12E+11 0.31 27238.0
H+C8H16-1 = C8H17-1 2.500E+11 0.51 2620.0
!
C8H17-2 = C3H6+C5H11-1 6.00E+11 0.50 27650.0
H+C8H16-1 = C8H17-2 4.240E+11 0.51 1230.0
H+C8H16-2 = C8H17-2 2.500E+11 0.51 2620.0
!
C8H17-3 = C4H8-1+PC4H9 6.00E+11 0.50 27650.0
C8H17-3 = CH3+C7H14-1 9.55E+09 1.08 29388.0
H+C8H16-2 = C8H17-3 2.500E+11 0.51 2620.0
H+C8H16-3 = C8H17-3 2.500E+11 0.51 2620.0
!
C8H17-4 = C5H10-1+NC3H7 6.00E+11 0.50 27650.0
C8H17-4 = C2H5+C6H12-1 6.00E+11 0.50 27650.0
H+C8H16-3 = C8H17-4 2.500E+11 0.51 2620.0
H+C8H16-4 = C8H17-4 2.500E+11 0.51 2620.0
!
! CLASS 4 ALKYL RADICAL ISOMERIZATION
!
! INCLUDE 3, 4, 5, AND 6 MEMBERED TRANSITION STATE RINGS
!
!
C12H25-1 = C12H25-4 6.92E+00 3.20 1.6558E+04 !TSANG 2007 1-C6H13=3-C6H13
5M P-S
!
C11H23-1 = C11H23-4 6.92E+00 3.20 1.6558E+04 !TSANG 2007 1-C6H13=3-C6H13
5M P-S
!
C10H21-1 = C10H21-4 6.92E+00 3.20 1.6558E+04 !TSANG 2007 1-C6H13=3-C6H13
5M P-S
!
C8H17-1 = C8H17-3 2.96E+00 3.08 1.102E+04 !TSANG 2009 1-OCTYL=3-OCTYL 7M
P-S
!
!
C8H16-1 = C5H10-1 + C3H6 3.98E+12 0 57629
!
C12H25-1+C12H25O2-1 = C12H25O-1+C12H25O-1 7.000E+12 0.00 -1.000E+03
C12H25-1+C12H25O2-2 = C12H25O-1+C12H25O-2 7.000E+12 0.00 -1.000E+03
C12H25-1+C12H25O2-3 = C12H25O-1+C12H25O-3 7.000E+12 0.00 -1.000E+03
C12H25-1+C12H25O2-4 = C12H25O-1+C12H25O-4 7.000E+12 0.00 -1.000E+03
C12H25-1+C12H25O2-5 = C12H25O-1+C12H25O-5 7.000E+12 0.00 -1.000E+03
C12H25-1+C12H25O2-6 = C12H25O-1+C12H25O-6 7.000E+12 0.00 -1.000E+03
C12H25-2+C12H25O2-1 = C12H25O-2+C12H25O-1 7.000E+12 0.00 -1.000E+03
C12H25-2+C12H25O2-2 = C12H25O-2+C12H25O-2 7.000E+12 0.00 -1.000E+03
C12H25-2+C12H25O2-3 = C12H25O-2+C12H25O-3 7.000E+12 0.00 -1.000E+03
C12H25-2+C12H25O2-4 = C12H25O-2+C12H25O-4 7.000E+12 0.00 -1.000E+03
C12H25-2+C12H25O2-5 = C12H25O-2+C12H25O-5 7.000E+12 0.00 -1.000E+03
C12H25-2+C12H25O2-6 = C12H25O-2+C12H25O-6 7.000E+12 0.00 -1.000E+03
C12H25-3+C12H25O2-1 = C12H25O-3+C12H25O-1 7.000E+12 0.00 -1.000E+03
C12H25-3+C12H25O2-2 = C12H25O-3+C12H25O-2 7.000E+12 0.00 -1.000E+03
C12H25-3+C12H25O2-3 = C12H25O-3+C12H25O-3 7.000E+12 0.00 -1.000E+03
C12H25-3+C12H25O2-4 = C12H25O-3+C12H25O-4 7.000E+12 0.00 -1.000E+03
C12H25-3+C12H25O2-5 = C12H25O-3+C12H25O-5 7.000E+12 0.00 -1.000E+03
C12H25-3+C12H25O2-6 = C12H25O-3+C12H25O-6 7.000E+12 0.00 -1.000E+03
C12H25-4+C12H25O2-1 = C12H25O-4+C12H25O-1 7.000E+12 0.00 -1.000E+03
C12H25-4+C12H25O2-2 = C12H25O-4+C12H25O-2 7.000E+12 0.00 -1.000E+03
C12H25-4+C12H25O2-3 = C12H25O-4+C12H25O-3 7.000E+12 0.00 -1.000E+03
C12H25-4+C12H25O2-4 = C12H25O-4+C12H25O-4 7.000E+12 0.00 -1.000E+03
C12H25-4+C12H25O2-5 = C12H25O-4+C12H25O-5 7.000E+12 0.00 -1.000E+03
C12H25-4+C12H25O2-6 = C12H25O-4+C12H25O-6 7.000E+12 0.00 -1.000E+03
C12H25-5+C12H25O2-1 = C12H25O-5+C12H25O-1 7.000E+12 0.00 -1.000E+03
C12H25-5+C12H25O2-2 = C12H25O-5+C12H25O-2 7.000E+12 0.00 -1.000E+03
C12H25-5+C12H25O2-3 = C12H25O-5+C12H25O-3 7.000E+12 0.00 -1.000E+03
C12H25-5+C12H25O2-4 = C12H25O-5+C12H25O-4 7.000E+12 0.00 -1.000E+03
C12H25-5+C12H25O2-5 = C12H25O-5+C12H25O-5 7.000E+12 0.00 -1.000E+03
C12H25-5+C12H25O2-6 = C12H25O-5+C12H25O-6 7.000E+12 0.00 -1.000E+03
C12H25-6+C12H25O2-1 = C12H25O-6+C12H25O-1 7.000E+12 0.00 -1.000E+03
C12H25-6+C12H25O2-2 = C12H25O-6+C12H25O-2 7.000E+12 0.00 -1.000E+03
C12H25-6+C12H25O2-3 = C12H25O-6+C12H25O-3 7.000E+12 0.00 -1.000E+03
C12H25-6+C12H25O2-4 = C12H25O-6+C12H25O-4 7.000E+12 0.00 -1.000E+03
C12H25-6+C12H25O2-5 = C12H25O-6+C12H25O-5 7.000E+12 0.00 -1.000E+03
C12H25-6+C12H25O2-6 = C12H25O-6+C12H25O-6 7.000E+12 0.00 -1.000E+03
!
C11H23-1+C11H23O2-1 = C11H23O-1+C11H23O-1 7.000E+12 0.00 -1.000E+03
C11H23-1+C11H23O2-2 = C11H23O-1+C11H23O-2 7.000E+12 0.00 -1.000E+03
C11H23-1+C11H23O2-3 = C11H23O-1+C11H23O-3 7.000E+12 0.00 -1.000E+03
C11H23-1+C11H23O2-4 = C11H23O-1+C11H23O-4 7.000E+12 0.00 -1.000E+03
C11H23-1+C11H23O2-5 = C11H23O-1+C11H23O-5 7.000E+12 0.00 -1.000E+03
C11H23-1+C11H23O2-6 = C11H23O-1+C11H23O-6 7.000E+12 0.00 -1.000E+03
C11H23-2+C11H23O2-1 = C11H23O-2+C11H23O-1 7.000E+12 0.00 -1.000E+03
C11H23-2+C11H23O2-2 = C11H23O-2+C11H23O-2 7.000E+12 0.00 -1.000E+03
C11H23-2+C11H23O2-3 = C11H23O-2+C11H23O-3 7.000E+12 0.00 -1.000E+03
C11H23-2+C11H23O2-4 = C11H23O-2+C11H23O-4 7.000E+12 0.00 -1.000E+03
C11H23-2+C11H23O2-5 = C11H23O-2+C11H23O-5 7.000E+12 0.00 -1.000E+03
C11H23-2+C11H23O2-6 = C11H23O-2+C11H23O-6 7.000E+12 0.00 -1.000E+03
C11H23-3+C11H23O2-1 = C11H23O-3+C11H23O-1 7.000E+12 0.00 -1.000E+03
C11H23-3+C11H23O2-2 = C11H23O-3+C11H23O-2 7.000E+12 0.00 -1.000E+03
C11H23-3+C11H23O2-3 = C11H23O-3+C11H23O-3 7.000E+12 0.00 -1.000E+03
C11H23-3+C11H23O2-4 = C11H23O-3+C11H23O-4 7.000E+12 0.00 -1.000E+03
C11H23-3+C11H23O2-5 = C11H23O-3+C11H23O-5 7.000E+12 0.00 -1.000E+03
C11H23-3+C11H23O2-6 = C11H23O-3+C11H23O-6 7.000E+12 0.00 -1.000E+03
C11H23-4+C11H23O2-1 = C11H23O-4+C11H23O-1 7.000E+12 0.00 -1.000E+03
C11H23-4+C11H23O2-2 = C11H23O-4+C11H23O-2 7.000E+12 0.00 -1.000E+03
C11H23-4+C11H23O2-3 = C11H23O-4+C11H23O-3 7.000E+12 0.00 -1.000E+03
C11H23-4+C11H23O2-4 = C11H23O-4+C11H23O-4 7.000E+12 0.00 -1.000E+03
C11H23-4+C11H23O2-5 = C11H23O-4+C11H23O-5 7.000E+12 0.00 -1.000E+03
C11H23-4+C11H23O2-6 = C11H23O-4+C11H23O-6 7.000E+12 0.00 -1.000E+03
C11H23-5+C11H23O2-1 = C11H23O-5+C11H23O-1 7.000E+12 0.00 -1.000E+03
C11H23-5+C11H23O2-2 = C11H23O-5+C11H23O-2 7.000E+12 0.00 -1.000E+03
C11H23-5+C11H23O2-3 = C11H23O-5+C11H23O-3 7.000E+12 0.00 -1.000E+03
C11H23-5+C11H23O2-4 = C11H23O-5+C11H23O-4 7.000E+12 0.00 -1.000E+03
C11H23-5+C11H23O2-5 = C11H23O-5+C11H23O-5 7.000E+12 0.00 -1.000E+03
C11H23-5+C11H23O2-6 = C11H23O-5+C11H23O-6 7.000E+12 0.00 -1.000E+03
C11H23-6+C11H23O2-1 = C11H23O-6+C11H23O-1 7.000E+12 0.00 -1.000E+03
C11H23-6+C11H23O2-2 = C11H23O-6+C11H23O-2 7.000E+12 0.00 -1.000E+03
C11H23-6+C11H23O2-3 = C11H23O-6+C11H23O-3 7.000E+12 0.00 -1.000E+03
C11H23-6+C11H23O2-4 = C11H23O-6+C11H23O-4 7.000E+12 0.00 -1.000E+03
C11H23-6+C11H23O2-5 = C11H23O-6+C11H23O-5 7.000E+12 0.00 -1.000E+03
C11H23-6+C11H23O2-6 = C11H23O-6+C11H23O-6 7.000E+12 0.00 -1.000E+03
!
C10H21-1+C10H21O2-1 = C10H21O-1+C10H21O-1 7.000E+12 0.00 -1.000E+03
C10H21-1+C10H21O2-2 = C10H21O-1+C10H21O-2 7.000E+12 0.00 -1.000E+03
C10H21-1+C10H21O2-3 = C10H21O-1+C10H21O-3 7.000E+12 0.00 -1.000E+03
C10H21-1+C10H21O2-4 = C10H21O-1+C10H21O-4 7.000E+12 0.00 -1.000E+03
C10H21-1+C10H21O2-5 = C10H21O-1+C10H21O-5 7.000E+12 0.00 -1.000E+03
C10H21-2+C10H21O2-1 = C10H21O-2+C10H21O-1 7.000E+12 0.00 -1.000E+03
C10H21-2+C10H21O2-2 = C10H21O-2+C10H21O-2 7.000E+12 0.00 -1.000E+03
C10H21-2+C10H21O2-3 = C10H21O-2+C10H21O-3 7.000E+12 0.00 -1.000E+03
C10H21-2+C10H21O2-4 = C10H21O-2+C10H21O-4 7.000E+12 0.00 -1.000E+03
C10H21-2+C10H21O2-5 = C10H21O-2+C10H21O-5 7.000E+12 0.00 -1.000E+03
C10H21-3+C10H21O2-1 = C10H21O-3+C10H21O-1 7.000E+12 0.00 -1.000E+03
C10H21-3+C10H21O2-2 = C10H21O-3+C10H21O-2 7.000E+12 0.00 -1.000E+03
C10H21-3+C10H21O2-3 = C10H21O-3+C10H21O-3 7.000E+12 0.00 -1.000E+03
C10H21-3+C10H21O2-4 = C10H21O-3+C10H21O-4 7.000E+12 0.00 -1.000E+03
C10H21-3+C10H21O2-5 = C10H21O-3+C10H21O-5 7.000E+12 0.00 -1.000E+03
C10H21-4+C10H21O2-1 = C10H21O-4+C10H21O-1 7.000E+12 0.00 -1.000E+03
C10H21-4+C10H21O2-2 = C10H21O-4+C10H21O-2 7.000E+12 0.00 -1.000E+03
C10H21-4+C10H21O2-3 = C10H21O-4+C10H21O-3 7.000E+12 0.00 -1.000E+03
C10H21-4+C10H21O2-4 = C10H21O-4+C10H21O-4 7.000E+12 0.00 -1.000E+03
C10H21-4+C10H21O2-5 = C10H21O-4+C10H21O-5 7.000E+12 0.00 -1.000E+03
C10H21-5+C10H21O2-1 = C10H21O-5+C10H21O-1 7.000E+12 0.00 -1.000E+03
C10H21-5+C10H21O2-2 = C10H21O-5+C10H21O-2 7.000E+12 0.00 -1.000E+03
C10H21-5+C10H21O2-3 = C10H21O-5+C10H21O-3 7.000E+12 0.00 -1.000E+03
C10H21-5+C10H21O2-4 = C10H21O-5+C10H21O-4 7.000E+12 0.00 -1.000E+03
C10H21-5+C10H21O2-5 = C10H21O-5+C10H21O-5 7.000E+12 0.00 -1.000E+03
!
C9H19-1+C9H19O2-1 = C9H19O-1+C9H19O-1 7.000E+12 0.00 -1.000E+03
C9H19-1+C9H19O2-2 = C9H19O-1+C9H19O-2 7.000E+12 0.00 -1.000E+03
C9H19-1+C9H19O2-3 = C9H19O-1+C9H19O-3 7.000E+12 0.00 -1.000E+03
C9H19-1+C9H19O2-4 = C9H19O-1+C9H19O-4 7.000E+12 0.00 -1.000E+03
C9H19-1+C9H19O2-5 = C9H19O-1+C9H19O-5 7.000E+12 0.00 -1.000E+03
C9H19-2+C9H19O2-1 = C9H19O-2+C9H19O-1 7.000E+12 0.00 -1.000E+03
C9H19-2+C9H19O2-2 = C9H19O-2+C9H19O-2 7.000E+12 0.00 -1.000E+03
C9H19-2+C9H19O2-3 = C9H19O-2+C9H19O-3 7.000E+12 0.00 -1.000E+03
C9H19-2+C9H19O2-4 = C9H19O-2+C9H19O-4 7.000E+12 0.00 -1.000E+03
C9H19-2+C9H19O2-5 = C9H19O-2+C9H19O-5 7.000E+12 0.00 -1.000E+03
C9H19-3+C9H19O2-1 = C9H19O-3+C9H19O-1 7.000E+12 0.00 -1.000E+03
C9H19-3+C9H19O2-2 = C9H19O-3+C9H19O-2 7.000E+12 0.00 -1.000E+03
C9H19-3+C9H19O2-3 = C9H19O-3+C9H19O-3 7.000E+12 0.00 -1.000E+03
C9H19-3+C9H19O2-4 = C9H19O-3+C9H19O-4 7.000E+12 0.00 -1.000E+03
C9H19-3+C9H19O2-5 = C9H19O-3+C9H19O-5 7.000E+12 0.00 -1.000E+03
C9H19-4+C9H19O2-1 = C9H19O-4+C9H19O-1 7.000E+12 0.00 -1.000E+03
C9H19-4+C9H19O2-2 = C9H19O-4+C9H19O-2 7.000E+12 0.00 -1.000E+03
C9H19-4+C9H19O2-3 = C9H19O-4+C9H19O-3 7.000E+12 0.00 -1.000E+03
C9H19-4+C9H19O2-4 = C9H19O-4+C9H19O-4 7.000E+12 0.00 -1.000E+03
C9H19-4+C9H19O2-5 = C9H19O-4+C9H19O-5 7.000E+12 0.00 -1.000E+03
C9H19-5+C9H19O2-1 = C9H19O-5+C9H19O-1 7.000E+12 0.00 -1.000E+03
C9H19-5+C9H19O2-2 = C9H19O-5+C9H19O-2 7.000E+12 0.00 -1.000E+03
C9H19-5+C9H19O2-3 = C9H19O-5+C9H19O-3 7.000E+12 0.00 -1.000E+03
C9H19-5+C9H19O2-4 = C9H19O-5+C9H19O-4 7.000E+12 0.00 -1.000E+03
C9H19-5+C9H19O2-5 = C9H19O-5+C9H19O-5 7.000E+12 0.00 -1.000E+03
!
C8H17-1+C8H17O2-1 = C8H17O-1+C8H17O-1 7.000E+12 0.00 -1.000E+03
C8H17-1+C8H17O2-2 = C8H17O-1+C8H17O-2 7.000E+12 0.00 -1.000E+03
C8H17-1+C8H17O2-3 = C8H17O-1+C8H17O-3 7.000E+12 0.00 -1.000E+03
C8H17-1+C8H17O2-4 = C8H17O-1+C8H17O-4 7.000E+12 0.00 -1.000E+03
C8H17-2+C8H17O2-1 = C8H17O-2+C8H17O-1 7.000E+12 0.00 -1.000E+03
C8H17-2+C8H17O2-2 = C8H17O-2+C8H17O-2 7.000E+12 0.00 -1.000E+03
C8H17-2+C8H17O2-3 = C8H17O-2+C8H17O-3 7.000E+12 0.00 -1.000E+03
C8H17-2+C8H17O2-4 = C8H17O-2+C8H17O-4 7.000E+12 0.00 -1.000E+03
C8H17-3+C8H17O2-1 = C8H17O-3+C8H17O-1 7.000E+12 0.00 -1.000E+03
C8H17-3+C8H17O2-2 = C8H17O-3+C8H17O-2 7.000E+12 0.00 -1.000E+03
C8H17-3+C8H17O2-3 = C8H17O-3+C8H17O-3 7.000E+12 0.00 -1.000E+03
C8H17-3+C8H17O2-4 = C8H17O-3+C8H17O-4 7.000E+12 0.00 -1.000E+03
C8H17-4+C8H17O2-1 = C8H17O-4+C8H17O-1 7.000E+12 0.00 -1.000E+03
C8H17-4+C8H17O2-2 = C8H17O-4+C8H17O-2 7.000E+12 0.00 -1.000E+03
C8H17-4+C8H17O2-3 = C8H17O-4+C8H17O-3 7.000E+12 0.00 -1.000E+03
C8H17-4+C8H17O2-4 = C8H17O-4+C8H17O-4 7.000E+12 0.00 -1.000E+03
!
!
!
! CLASS 13
!
! R + HO2 = RO + OH REACTIONS
!
!
C12H25-1+HO2 = C12H25O-1 + OH 7.000E+12 0.00 -1.000E+03
C12H25-2+HO2 = C12H25O-2 + OH 7.000E+12 0.00 -1.000E+03
C12H25-3+HO2 = C12H25O-3 + OH 7.000E+12 0.00 -1.000E+03
C12H25-4+HO2 = C12H25O-4 + OH 7.000E+12 0.00 -1.000E+03
C12H25-5+HO2 = C12H25O-5 + OH 7.000E+12 0.00 -1.000E+03
C12H25-6+HO2 = C12H25O-6 + OH 7.000E+12 0.00 -1.000E+03
!
C11H23-1+HO2 = C11H23O-1 + OH 7.000E+12 0.00 -1.000E+03
C11H23-2+HO2 = C11H23O-2 + OH 7.000E+12 0.00 -1.000E+03
C11H23-3+HO2 = C11H23O-3 + OH 7.000E+12 0.00 -1.000E+03
C11H23-4+HO2 = C11H23O-4 + OH 7.000E+12 0.00 -1.000E+03
C11H23-5+HO2 = C11H23O-5 + OH 7.000E+12 0.00 -1.000E+03
C11H23-6+HO2 = C11H23O-6 + OH 7.000E+12 0.00 -1.000E+03
!
C10H21-1+HO2 = C10H21O-1 + OH 7.000E+12 0.00 -1.000E+03
C10H21-2+HO2 = C10H21O-2 + OH 7.000E+12 0.00 -1.000E+03
C10H21-3+HO2 = C10H21O-3 + OH 7.000E+12 0.00 -1.000E+03
C10H21-4+HO2 = C10H21O-4 + OH 7.000E+12 0.00 -1.000E+03
C10H21-5+HO2 = C10H21O-5 + OH 7.000E+12 0.00 -1.000E+03
!
C9H19-1+HO2 = C9H19O-1 + OH 7.000E+12 0.00 -1.000E+03
C9H19-2+HO2 = C9H19O-2 + OH 7.000E+12 0.00 -1.000E+03
C9H19-3+HO2 = C9H19O-3 + OH 7.000E+12 0.00 -1.000E+03
C9H19-4+HO2 = C9H19O-4 + OH 7.000E+12 0.00 -1.000E+03
C9H19-5+HO2 = C9H19O-5 + OH 7.000E+12 0.00 -1.000E+03
!
C8H17-1+HO2 = C8H17O-1 + OH 7.000E+12 0.00 -1.000E+03
C8H17-2+HO2 = C8H17O-2 + OH 7.000E+12 0.00 -1.000E+03
C8H17-3+HO2 = C8H17O-3 + OH 7.000E+12 0.00 -1.000E+03
C8H17-4+HO2 = C8H17O-4 + OH 7.000E+12 0.00 -1.000E+03
!
! CLASS 14
!
! R + CH3O2 = RO + OH REACTIONS
!
!
C12H25-1+CH3O2 = C12H25O-1+CH3O 7.000E+12 0.00 -1.000E+03
C12H25-2+CH3O2 = C12H25O-2+CH3O 7.000E+12 0.00 -1.000E+03
C12H25-3+CH3O2 = C12H25O-3+CH3O 7.000E+12 0.00 -1.000E+03
C12H25-4+CH3O2 = C12H25O-4+CH3O 7.000E+12 0.00 -1.000E+03
C12H25-5+CH3O2 = C12H25O-5+CH3O 7.000E+12 0.00 -1.000E+03
C12H25-6+CH3O2 = C12H25O-6+CH3O 7.000E+12 0.00 -1.000E+03
!
C11H23-1+CH3O2 = C11H23O-1+CH3O 7.000E+12 0.00 -1.000E+03
C11H23-2+CH3O2 = C11H23O-2+CH3O 7.000E+12 0.00 -1.000E+03
C11H23-3+CH3O2 = C11H23O-3+CH3O 7.000E+12 0.00 -1.000E+03
C11H23-4+CH3O2 = C11H23O-4+CH3O 7.000E+12 0.00 -1.000E+03
C11H23-5+CH3O2 = C11H23O-5+CH3O 7.000E+12 0.00 -1.000E+03
C11H23-6+CH3O2 = C11H23O-6+CH3O 7.000E+12 0.00 -1.000E+03
!
C10H21-1+CH3O2 = C10H21O-1+CH3O 7.000E+12 0.00 -1.000E+03
C10H21-2+CH3O2 = C10H21O-2+CH3O 7.000E+12 0.00 -1.000E+03
C10H21-3+CH3O2 = C10H21O-3+CH3O 7.000E+12 0.00 -1.000E+03
C10H21-4+CH3O2 = C10H21O-4+CH3O 7.000E+12 0.00 -1.000E+03
C10H21-5+CH3O2 = C10H21O-5+CH3O 7.000E+12 0.00 -1.000E+03
!
C9H19-1+CH3O2 = C9H19O-1+CH3O 7.000E+12 0.00 -1.000E+03
C9H19-2+CH3O2 = C9H19O-2+CH3O 7.000E+12 0.00 -1.000E+03
C9H19-3+CH3O2 = C9H19O-3+CH3O 7.000E+12 0.00 -1.000E+03
C9H19-4+CH3O2 = C9H19O-4+CH3O 7.000E+12 0.00 -1.000E+03
C9H19-5+CH3O2 = C9H19O-5+CH3O 7.000E+12 0.00 -1.000E+03
!
C8H17-1+CH3O2 = C8H17O-1+CH3O 7.000E+12 0.00 -1.000E+03
C8H17-2+CH3O2 = C8H17O-2+CH3O 7.000E+12 0.00 -1.000E+03
C8H17-3+CH3O2 = C8H17O-3+CH3O 7.000E+12 0.00 -1.000E+03
C8H17-4+CH3O2 = C8H17O-4+CH3O 7.000E+12 0.00 -1.000E+03
!
! CLASS 15
!
! RO2 ISOMERIZATION
! INCLUDES TRANSITION STATE RINGS OF 5, 6, 7, AND 8 ATOMS
!
!
C12H25O2-1 = C12OOH1-2 2.000E+11 0.00 2.645E+04
C12H25O2-1 = C12OOH1-3 2.500E+10 0.00 2.045E+04
C12H25O2-1 = C12OOH1-4 3.125E+09 0.00 1.865E+04
C12H25O2-1 = C12OOH1-5 3.906E+08 0.00 2.165E+04
C12H25O2-2 = C12OOH2-1 3.000E+11 0.00 2.900E+04
C12H25O2-2 = C12OOH2-3 2.000E+11 0.00 2.645E+04
C12H25O2-2 = C12OOH2-4 2.500E+10 0.00 2.045E+04
C12H25O2-2 = C12OOH2-5 3.125E+09 0.00 1.865E+04
C12H25O2-2 = C12OOH2-6 3.906E+08 0.00 2.165E+04
C12H25O2-3 = C12OOH3-1 3.750E+10 0.00 2.400E+04
C12H25O2-3 = C12OOH3-2 2.000E+11 0.00 2.645E+04
C12H25O2-3 = C12OOH3-4 2.000E+11 0.00 2.645E+04
C12H25O2-3 = C12OOH3-5 2.500E+10 0.00 2.045E+04
C12H25O2-3 = C12OOH3-6 3.125E+09 0.00 1.865E+04
C12H25O2-3 = C12OOH3-7 3.906E+08 0.00 2.165E+04
C12H25O2-4 = C12OOH4-1 4.680E+09 0.00 2.195E+04
C12H25O2-4 = C12OOH4-2 2.500E+10 0.00 2.045E+04
C12H25O2-4 = C12OOH4-3 2.000E+11 0.00 2.645E+04
C12H25O2-4 = C12OOH4-5 2.000E+11 0.00 2.645E+04
C12H25O2-4 = C12OOH4-6 2.500E+10 0.00 2.045E+04
C12H25O2-4 = C12OOH4-7 3.125E+09 0.00 1.865E+04
C12H25O2-4 = C12OOH4-8 3.906E+08 0.00 2.165E+04
C12H25O2-5 = C12OOH5-1 5.860E+08 0.00 2.515E+04
C12H25O2-5 = C12OOH5-2 3.125E+09 0.00 1.865E+04
C12H25O2-5 = C12OOH5-3 2.500E+10 0.00 2.045E+04
C12H25O2-5 = C12OOH5-4 2.000E+11 0.00 2.645E+04
C12H25O2-5 = C12OOH5-6 2.000E+11 0.00 2.645E+04
C12H25O2-5 = C12OOH5-7 2.500E+10 0.00 2.045E+04
C12H25O2-5 = C12OOH5-8 3.125E+09 0.00 1.865E+04
C12H25O2-5 = C12OOH5-9 3.906E+08 0.00 2.165E+04
C12H25O2-6 = C12OOH6-2 3.906E+08 0.00 2.165E+04
C12H25O2-6 = C12OOH6-3 3.125E+09 0.00 1.865E+04
C12H25O2-6 = C12OOH6-4 2.500E+10 0.00 2.045E+04
C12H25O2-6 = C12OOH6-5 2.000E+11 0.00 2.645E+04
C12H25O2-6 = C12OOH6-7 2.000E+11 0.00 2.645E+04
C12H25O2-6 = C12OOH6-8 2.500E+10 0.00 2.045E+04
C12H25O2-6 = C12OOH6-9 3.125E+09 0.00 1.865E+04
C12H25O2-6 = C12OOH6-10 3.906E+08 0.00 2.165E+04
!
C11H23O2-1 = C11OOH1-2 2.000E+11 0.00 2.645E+04
C11H23O2-1 = C11OOH1-3 2.500E+10 0.00 2.045E+04
C11H23O2-1 = C11OOH1-4 3.125E+09 0.00 1.865E+04
C11H23O2-1 = C11OOH1-5 3.906E+08 0.00 2.165E+04
C11H23O2-2 = C11OOH2-1 3.000E+11 0.00 2.900E+04
C11H23O2-2 = C11OOH2-3 2.000E+11 0.00 2.645E+04
C11H23O2-2 = C11OOH2-4 2.500E+10 0.00 2.045E+04
C11H23O2-2 = C11OOH2-5 3.125E+09 0.00 1.865E+04
C11H23O2-2 = C11OOH2-6 3.906E+08 0.00 2.165E+04
C11H23O2-3 = C11OOH3-1 3.750E+10 0.00 2.400E+04
C11H23O2-3 = C11OOH3-2 2.000E+11 0.00 2.645E+04
C11H23O2-3 = C11OOH3-4 2.000E+11 0.00 2.645E+04
C11H23O2-3 = C11OOH3-5 2.500E+10 0.00 2.045E+04
C11H23O2-3 = C11OOH3-6 3.125E+09 0.00 1.865E+04
C11H23O2-3 = C11OOH3-7 3.906E+08 0.00 2.165E+04
C11H23O2-4 = C11OOH4-1 4.680E+09 0.00 2.195E+04
C11H23O2-4 = C11OOH4-2 2.500E+10 0.00 2.045E+04
C11H23O2-4 = C11OOH4-3 2.000E+11 0.00 2.645E+04
C11H23O2-4 = C11OOH4-5 2.000E+11 0.00 2.645E+04
C11H23O2-4 = C11OOH4-6 2.500E+10 0.00 2.045E+04
C11H23O2-4 = C11OOH4-7 3.125E+09 0.00 1.865E+04
C11H23O2-4 = C11OOH4-8 3.906E+08 0.00 2.165E+04
C11H23O2-5 = C11OOH5-1 5.860E+08 0.00 2.515E+04
C11H23O2-5 = C11OOH5-2 3.125E+09 0.00 1.865E+04
C11H23O2-5 = C11OOH5-3 2.500E+10 0.00 2.045E+04
C11H23O2-5 = C11OOH5-4 2.000E+11 0.00 2.645E+04
C11H23O2-5 = C11OOH5-6 2.000E+11 0.00 2.645E+04
C11H23O2-5 = C11OOH5-7 2.500E+10 0.00 2.045E+04
C11H23O2-5 = C11OOH5-8 3.125E+09 0.00 1.865E+04
C11H23O2-5 = C11OOH5-9 3.906E+08 0.00 2.165E+04
C11H23O2-6 = C11OOH6-2 3.906E+08 0.00 2.165E+04
C11H23O2-6 = C11OOH6-3 3.125E+09 0.00 1.865E+04
C11H23O2-6 = C11OOH6-4 2.500E+10 0.00 2.045E+04
C11H23O2-6 = C11OOH6-5 2.000E+11 0.00 2.645E+04
!
C10H21O2-1 = C10OOH1-2 2.000E+11 0.00 2.645E+04
C10H21O2-1 = C10OOH1-3 2.500E+10 0.00 2.045E+04
C10H21O2-1 = C10OOH1-4 3.125E+09 0.00 1.865E+04
C10H21O2-1 = C10OOH1-5 3.906E+08 0.00 2.165E+04
C10H21O2-2 = C10OOH2-1 3.000E+11 0.00 2.900E+04
C10H21O2-2 = C10OOH2-3 2.000E+11 0.00 2.645E+04
C10H21O2-2 = C10OOH2-4 2.500E+10 0.00 2.045E+04
C10H21O2-2 = C10OOH2-5 3.125E+09 0.00 1.865E+04
C10H21O2-2 = C10OOH2-6 3.906E+08 0.00 2.165E+04
C10H21O2-3 = C10OOH3-1 3.750E+10 0.00 2.400E+04
C10H21O2-3 = C10OOH3-2 2.000E+11 0.00 2.645E+04
C10H21O2-3 = C10OOH3-4 2.000E+11 0.00 2.645E+04
C10H21O2-3 = C10OOH3-5 2.500E+10 0.00 2.045E+04
C10H21O2-3 = C10OOH3-6 3.125E+09 0.00 1.865E+04
C10H21O2-3 = C10OOH3-7 3.906E+08 0.00 2.165E+04
C10H21O2-4 = C10OOH4-1 4.680E+09 0.00 2.195E+04
C10H21O2-4 = C10OOH4-2 2.500E+10 0.00 2.045E+04
C10H21O2-4 = C10OOH4-3 2.000E+11 0.00 2.645E+04
C10H21O2-4 = C10OOH4-5 2.000E+11 0.00 2.645E+04
C10H21O2-4 = C10OOH4-6 2.500E+10 0.00 2.045E+04
C10H21O2-4 = C10OOH4-7 3.125E+09 0.00 1.865E+04
C10H21O2-4 = C10OOH4-8 3.906E+08 0.00 2.165E+04
C10H21O2-5 = C10OOH5-1 5.860E+08 0.00 2.515E+04
C10H21O2-5 = C10OOH5-2 3.125E+09 0.00 1.865E+04
C10H21O2-5 = C10OOH5-3 2.500E+10 0.00 2.045E+04
C10H21O2-5 = C10OOH5-4 2.000E+11 0.00 2.645E+04
C10H21O2-5 = C10OOH5-6 2.000E+11 0.00 2.645E+04
C10H21O2-5 = C10OOH5-7 2.500E+10 0.00 2.045E+04
C10H21O2-5 = C10OOH5-8 3.125E+09 0.00 1.865E+04
C10H21O2-5 = C10OOH5-9 3.906E+08 0.00 2.165E+04
!
C9H19O2-1 = C9OOH1-2 2.000E+11 0.00 2.645E+04
C9H19O2-1 = C9OOH1-3 2.500E+10 0.00 2.045E+04
C9H19O2-1 = C9OOH1-4 3.125E+09 0.00 1.865E+04
C9H19O2-1 = C9OOH1-5 3.906E+08 0.00 2.165E+04
C9H19O2-2 = C9OOH2-1 3.000E+11 0.00 2.900E+04
C9H19O2-2 = C9OOH2-3 2.000E+11 0.00 2.645E+04
C9H19O2-2 = C9OOH2-4 2.500E+10 0.00 2.045E+04
C9H19O2-2 = C9OOH2-5 3.125E+09 0.00 1.865E+04
C9H19O2-2 = C9OOH2-6 3.906E+08 0.00 2.165E+04
C9H19O2-3 = C9OOH3-1 3.750E+10 0.00 2.400E+04
C9H19O2-3 = C9OOH3-2 2.000E+11 0.00 2.645E+04
C9H19O2-3 = C9OOH3-4 2.000E+11 0.00 2.645E+04
C9H19O2-3 = C9OOH3-5 2.500E+10 0.00 2.045E+04
C9H19O2-3 = C9OOH3-6 3.125E+09 0.00 1.865E+04
C9H19O2-3 = C9OOH3-7 3.906E+08 0.00 2.165E+04
C9H19O2-4 = C9OOH4-1 4.680E+09 0.00 2.195E+04
C9H19O2-4 = C9OOH4-2 2.500E+10 0.00 2.045E+04
C9H19O2-4 = C9OOH4-3 2.000E+11 0.00 2.645E+04
C9H19O2-4 = C9OOH4-5 2.000E+11 0.00 2.645E+04
C9H19O2-4 = C9OOH4-6 2.500E+10 0.00 2.045E+04
C9H19O2-4 = C9OOH4-7 3.125E+09 0.00 1.865E+04
C9H19O2-4 = C9OOH4-8 3.906E+08 0.00 2.165E+04
C9H19O2-5 = C9OOH5-1 5.860E+08 0.00 2.515E+04
C9H19O2-5 = C9OOH5-2 3.125E+09 0.00 1.865E+04
C9H19O2-5 = C9OOH5-3 2.500E+10 0.00 2.045E+04
C9H19O2-5 = C9OOH5-4 2.000E+11 0.00 2.645E+04
!
C8H17O2-1 = C8OOH1-2 2.000E+11 0.00 2.645E+04
C8H17O2-1 = C8OOH1-3 2.500E+10 0.00 2.045E+04
C8H17O2-1 = C8OOH1-4 3.125E+09 0.00 1.865E+04
C8H17O2-1 = C8OOH1-5 3.906E+08 0.00 2.165E+04
C8H17O2-2 = C8OOH2-1 3.000E+11 0.00 2.900E+04
C8H17O2-2 = C8OOH2-3 2.000E+11 0.00 2.645E+04
C8H17O2-2 = C8OOH2-4 2.500E+10 0.00 2.045E+04
C8H17O2-2 = C8OOH2-5 3.125E+09 0.00 1.865E+04
C8H17O2-2 = C8OOH2-6 3.906E+08 0.00 2.165E+04
C8H17O2-3 = C8OOH3-1 3.750E+10 0.00 2.400E+04
C8H17O2-3 = C8OOH3-2 2.000E+11 0.00 2.645E+04
C8H17O2-3 = C8OOH3-4 2.000E+11 0.00 2.645E+04
C8H17O2-3 = C8OOH3-5 2.500E+10 0.00 2.045E+04
C8H17O2-3 = C8OOH3-6 3.125E+09 0.00 1.865E+04
C8H17O2-3 = C8OOH3-7 3.906E+08 0.00 2.165E+04
C8H17O2-4 = C8OOH4-1 4.680E+09 0.00 2.195E+04
C8H17O2-4 = C8OOH4-2 2.500E+10 0.00 2.045E+04
C8H17O2-4 = C8OOH4-3 2.000E+11 0.00 2.645E+04
C8H17O2-4 = C8OOH4-5 2.000E+11 0.00 2.645E+04
C8H17O2-4 = C8OOH4-6 2.500E+10 0.00 2.045E+04
C8H17O2-4 = C8OOH4-7 3.125E+09 0.00 1.865E+04
C8H17O2-4 = C8OOH4-8 5.860E+08 0.00 2.515E+04
!
!
!
! CLASS 16 RO2=HO2+ALKENE DIRECT ELIMINATION OF HO2 AND ALKENE FROM RO2
!
!
!
C12H25O2-1<=>C12H24-1+HO2 4.308E+36 -7.50 3.951E+04
C12H25O2-2<=>C12H24-1+HO2 5.920E+42 -9.43 4.153E+04
C12H25O2-2<=>C12H24-2+HO2 4.308E+36 -7.50 3.951E+04
C12H25O2-3<=>C12H24-2+HO2 4.308E+36 -7.50 3.951E+04
C12H25O2-3<=>C12H24-3+HO2 4.308E+36 -7.50 3.951E+04
C12H25O2-4<=>C12H24-3+HO2 4.308E+36 -7.50 3.951E+04
C12H25O2-4<=>C12H24-4+HO2 4.308E+36 -7.50 3.951E+04
C12H25O2-5<=>C12H24-4+HO2 4.308E+36 -7.50 3.951E+04
C12H25O2-5<=>C12H24-5+HO2 4.308E+36 -7.50 3.951E+04
C12H25O2-6<=>C12H24-5+HO2 4.308E+36 -7.50 3.951E+04
C12H25O2-6<=>C12H24-6+HO2 4.308E+36 -7.50 3.951E+04
!
!
C11H23O2-1<=>C11H22-1+HO2 4.308E+36 -7.50 3.951E+04
C11H23O2-2<=>C11H22-1+HO2 5.920E+42 -9.43 4.153E+04
C11H23O2-2<=>C11H22-2+HO2 4.308E+36 -7.50 3.951E+04
C11H23O2-3<=>C11H22-2+HO2 4.308E+36 -7.50 3.951E+04
C11H23O2-3<=>C11H22-3+HO2 4.308E+36 -7.50 3.951E+04
C11H23O2-4<=>C11H22-3+HO2 4.308E+36 -7.50 3.951E+04
C11H23O2-4<=>C11H22-4+HO2 4.308E+36 -7.50 3.951E+04
C11H23O2-5<=>C11H22-4+HO2 4.308E+36 -7.50 3.951E+04
C11H23O2-5<=>C11H22-5+HO2 4.308E+36 -7.50 3.951E+04
C11H23O2-6<=>C11H22-5+HO2 4.308E+36 -7.50 3.951E+04
!
!
!
C10H21O2-1<=>C10H20-1+HO2 4.308E+36 -7.50 3.951E+04
C10H21O2-2<=>C10H20-1+HO2 5.920E+42 -9.43 4.153E+04
C10H21O2-2<=>C10H20-2+HO2 4.308E+36 -7.50 3.951E+04
C10H21O2-3<=>C10H20-2+HO2 4.308E+36 -7.50 3.951E+04
C10H21O2-3<=>C10H20-3+HO2 4.308E+36 -7.50 3.951E+04
C10H21O2-4<=>C10H20-3+HO2 4.308E+36 -7.50 3.951E+04
C10H21O2-4<=>C10H20-4+HO2 4.308E+36 -7.50 3.951E+04
C10H21O2-5<=>C10H20-4+HO2 4.308E+36 -7.50 3.951E+04
C10H21O2-5<=>C10H20-5+HO2 4.308E+36 -7.50 3.951E+04
!
!
C9H19O2-1<=>C9H18-1+HO2 4.308E+36 -7.50 3.951E+04
C9H19O2-2<=>C9H18-1+HO2 5.920E+42 -9.43 4.153E+04
C9H19O2-2<=>C9H18-2+HO2 4.308E+36 -7.50 3.951E+04
C9H19O2-3<=>C9H18-2+HO2 4.308E+36 -7.50 3.951E+04
C9H19O2-3<=>C9H18-3+HO2 4.308E+36 -7.50 3.951E+04
C9H19O2-4<=>C9H18-3+HO2 4.308E+36 -7.50 3.951E+04
C9H19O2-4<=>C9H18-4+HO2 4.308E+36 -7.50 3.951E+04
C9H19O2-5<=>C9H18-4+HO2 4.308E+36 -7.50 3.951E+04
!
!
C8H17O2-1<=>C8H16-1+HO2 4.308E+36 -7.50 3.951E+04
C8H17O2-2<=>C8H16-1+HO2 5.920E+42 -9.43 4.153E+04
C8H17O2-2<=>C8H16-2+HO2 4.308E+36 -7.50 3.951E+04
C8H17O2-3<=>C8H16-2+HO2 4.308E+36 -7.50 3.951E+04
C8H17O2-3<=>C8H16-3+HO2 4.308E+36 -7.50 3.951E+04
C8H17O2-4<=>C8H16-3+HO2 4.308E+36 -7.50 3.951E+04
C8H17O2-4<=>C8H16-4+HO2 4.308E+36 -7.50 3.951E+04
!
!
!
!
! CLASS 17 RO2 + HO2 = ROOH + O2
!
!
!
C12H25O2-1+HO2 = C12H25O2H-1 + O2 1.750E+10 0.00 -3.275E+03
C12H25O2-2+HO2 = C12H25O2H-2 + O2 1.750E+10 0.00 -3.275E+03
C12H25O2-3+HO2 = C12H25O2H-3 + O2 1.750E+10 0.00 -3.275E+03
C12H25O2-4+HO2 = C12H25O2H-4 + O2 1.750E+10 0.00 -3.275E+03
C12H25O2-5+HO2 = C12H25O2H-5 + O2 1.750E+10 0.00 -3.275E+03
C12H25O2-6+HO2 = C12H25O2H-6 + O2 1.750E+10 0.00 -3.275E+03
!
C11H23O2-1+HO2 = C11H23O2H-1 + O2 1.750E+10 0.00 -3.275E+03
C11H23O2-2+HO2 = C11H23O2H-2 + O2 1.750E+10 0.00 -3.275E+03
C11H23O2-3+HO2 = C11H23O2H-3 + O2 1.750E+10 0.00 -3.275E+03
C11H23O2-4+HO2 = C11H23O2H-4 + O2 1.750E+10 0.00 -3.275E+03
C11H23O2-5+HO2 = C11H23O2H-5 + O2 1.750E+10 0.00 -3.275E+03
C11H23O2-6+HO2 = C11H23O2H-6 + O2 1.750E+10 0.00 -3.275E+03
!
C10H21O2-1+HO2 = C10H21O2H-1 + O2 1.750E+10 0.00 -3.275E+03
C10H21O2-2+HO2 = C10H21O2H-2 + O2 1.750E+10 0.00 -3.275E+03
C10H21O2-3+HO2 = C10H21O2H-3 + O2 1.750E+10 0.00 -3.275E+03
C10H21O2-4+HO2 = C10H21O2H-4 + O2 1.750E+10 0.00 -3.275E+03
C10H21O2-5+HO2 = C10H21O2H-5 + O2 1.750E+10 0.00 -3.275E+03
!
C9H19O2-1+HO2 = C9H19O2H-1 + O2 1.750E+10 0.00 -3.275E+03
C9H19O2-2+HO2 = C9H19O2H-2 + O2 1.750E+10 0.00 -3.275E+03
C9H19O2-3+HO2 = C9H19O2H-3 + O2 1.750E+10 0.00 -3.275E+03
C9H19O2-4+HO2 = C9H19O2H-4 + O2 1.750E+10 0.00 -3.275E+03
C9H19O2-5+HO2 = C9H19O2H-5 + O2 1.750E+10 0.00 -3.275E+03
!
C8H17O2-1+HO2 = C8H17O2H-1 + O2 1.750E+10 0.00 -3.275E+03
C8H17O2-2+HO2 = C8H17O2H-2 + O2 1.750E+10 0.00 -3.275E+03
C8H17O2-3+HO2 = C8H17O2H-3 + O2 1.750E+10 0.00 -3.275E+03
C8H17O2-4+HO2 = C8H17O2H-4 + O2 1.750E+10 0.00 -3.275E+03
!
!
! CLASS 18 RO2 + H2O2 = ROOH + HO2
!
!
C12H25O2-1+H2O2 = C12H25O2H-1+HO2 2.400E+12 0.00 1.000E+04
C12H25O2-2+H2O2 = C12H25O2H-2+HO2 2.400E+12 0.00 1.000E+04
C12H25O2-3+H2O2 = C12H25O2H-3+HO2 2.400E+12 0.00 1.000E+04
C12H25O2-4+H2O2 = C12H25O2H-4+HO2 2.400E+12 0.00 1.000E+04
C12H25O2-5+H2O2 = C12H25O2H-5+HO2 2.400E+12 0.00 1.000E+04
C12H25O2-6+H2O2 = C12H25O2H-6+HO2 2.400E+12 0.00 1.000E+04
!
C11H23O2-1+H2O2 = C11H23O2H-1+HO2 2.400E+12 0.00 1.000E+04
C11H23O2-2+H2O2 = C11H23O2H-2+HO2 2.400E+12 0.00 1.000E+04
C11H23O2-3+H2O2 = C11H23O2H-3+HO2 2.400E+12 0.00 1.000E+04
C11H23O2-4+H2O2 = C11H23O2H-4+HO2 2.400E+12 0.00 1.000E+04
C11H23O2-5+H2O2 = C11H23O2H-5+HO2 2.400E+12 0.00 1.000E+04
C11H23O2-6+H2O2 = C11H23O2H-6+HO2 2.400E+12 0.00 1.000E+04
!
C10H21O2-1+H2O2 = C10H21O2H-1+HO2 2.400E+12 0.00 1.000E+04
C10H21O2-2+H2O2 = C10H21O2H-2+HO2 2.400E+12 0.00 1.000E+04
C10H21O2-3+H2O2 = C10H21O2H-3+HO2 2.400E+12 0.00 1.000E+04
C10H21O2-4+H2O2 = C10H21O2H-4+HO2 2.400E+12 0.00 1.000E+04
C10H21O2-5+H2O2 = C10H21O2H-5+HO2 2.400E+12 0.00 1.000E+04
!
C9H19O2-1+H2O2 = C9H19O2H-1+HO2 2.400E+12 0.00 1.000E+04
C9H19O2-2+H2O2 = C9H19O2H-2+HO2 2.400E+12 0.00 1.000E+04
C9H19O2-3+H2O2 = C9H19O2H-3+HO2 2.400E+12 0.00 1.000E+04
C9H19O2-4+H2O2 = C9H19O2H-4+HO2 2.400E+12 0.00 1.000E+04
C9H19O2-5+H2O2 = C9H19O2H-5+HO2 2.400E+12 0.00 1.000E+04
!
C8H17O2-1+H2O2 = C8H17O2H-1+HO2 2.400E+12 0.00 1.000E+04
C8H17O2-2+H2O2 = C8H17O2H-2+HO2 2.400E+12 0.00 1.000E+04
C8H17O2-3+H2O2 = C8H17O2H-3+HO2 2.400E+12 0.00 1.000E+04
C8H17O2-4+H2O2 = C8H17O2H-4+HO2 2.400E+12 0.00 1.000E+04
!
!
!
! CLASS 19 RO2 + CH3O2 = RO + CH3O + O2
!
!
C12H25O2-1+CH3O2 = C12H25O-1+CH3O + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C12H25O2-2+CH3O2 = C12H25O-2+CH3O + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C12H25O2-3+CH3O2 = C12H25O-3+CH3O + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C12H25O2-4+CH3O2 = C12H25O-4+CH3O + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C12H25O2-5+CH3O2 = C12H25O-5+CH3O + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C12H25O2-6+CH3O2 = C12H25O-6+CH3O + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
C11H23O2-1+CH3O2 = C11H23O-1+CH3O + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C11H23O2-2+CH3O2 = C11H23O-2+CH3O + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C11H23O2-3+CH3O2 = C11H23O-3+CH3O + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C11H23O2-4+CH3O2 = C11H23O-4+CH3O + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C11H23O2-5+CH3O2 = C11H23O-5+CH3O + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C11H23O2-6+CH3O2 = C11H23O-6+CH3O + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
C10H21O2-1+CH3O2 = C10H21O-1+CH3O + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C10H21O2-2+CH3O2 = C10H21O-2+CH3O + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C10H21O2-3+CH3O2 = C10H21O-3+CH3O + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C10H21O2-4+CH3O2 = C10H21O-4+CH3O + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C10H21O2-5+CH3O2 = C10H21O-5+CH3O + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
C9H19O2-1+CH3O2 = C9H19O-1+CH3O + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C9H19O2-2+CH3O2 = C9H19O-2+CH3O + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C9H19O2-3+CH3O2 = C9H19O-3+CH3O + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C9H19O2-4+CH3O2 = C9H19O-4+CH3O + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C9H19O2-5+CH3O2 = C9H19O-5+CH3O + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
C8H17O2-1+CH3O2 = C8H17O-1+CH3O + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C8H17O2-2+CH3O2 = C8H17O-2+CH3O + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C8H17O2-3+CH3O2 = C8H17O-3+CH3O + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C8H17O2-4+CH3O2 = C8H17O-4+CH3O + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
!
!
!
! CLASS 20
!
! RO2 + RO2 = RO + RO + O2
!
!
C12H25O2-1 + C12H25O2-1 = C12H25O-1 + C12H25O-1 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C12H25O2-1 + C12H25O2-2 = C12H25O-1 + C12H25O-2 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C12H25O2-1 + C12H25O2-3 = C12H25O-1 + C12H25O-3 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C12H25O2-1 + C12H25O2-4 = C12H25O-1 + C12H25O-4 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C12H25O2-1 + C12H25O2-5 = C12H25O-1 + C12H25O-5 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C12H25O2-1 + C12H25O2-6 = C12H25O-1 + C12H25O-6 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
C12H25O2-2 + C12H25O2-2 = C12H25O-2 + C12H25O-2 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C12H25O2-2 + C12H25O2-3 = C12H25O-2 + C12H25O-3 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C12H25O2-2 + C12H25O2-4 = C12H25O-2 + C12H25O-4 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C12H25O2-2 + C12H25O2-5 = C12H25O-2 + C12H25O-5 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C12H25O2-2 + C12H25O2-6 = C12H25O-2 + C12H25O-6 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
C12H25O2-3 + C12H25O2-3 = C12H25O-3 + C12H25O-3 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C12H25O2-3 + C12H25O2-4 = C12H25O-3 + C12H25O-4 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C12H25O2-3 + C12H25O2-5 = C12H25O-3 + C12H25O-5 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C12H25O2-3 + C12H25O2-6 = C12H25O-3 + C12H25O-6 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
C12H25O2-4 + C12H25O2-4 = C12H25O-4 + C12H25O-4 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C12H25O2-4 + C12H25O2-5 = C12H25O-4 + C12H25O-5 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C12H25O2-4 + C12H25O2-6 = C12H25O-4 + C12H25O-6 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
C12H25O2-5 + C12H25O2-5 = C12H25O-5 + C12H25O-5 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C12H25O2-5 + C12H25O2-6 = C12H25O-5 + C12H25O-6 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
C12H25O2-6 + C12H25O2-6 = C12H25O-6 + C12H25O-6 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
C11H23O2-1 + C11H23O2-1 = C11H23O-1 + C11H23O-1 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C11H23O2-1 + C11H23O2-2 = C11H23O-1 + C11H23O-2 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C11H23O2-1 + C11H23O2-3 = C11H23O-1 + C11H23O-3 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C11H23O2-1 + C11H23O2-4 = C11H23O-1 + C11H23O-4 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C11H23O2-1 + C11H23O2-5 = C11H23O-1 + C11H23O-5 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C11H23O2-1 + C11H23O2-6 = C11H23O-1 + C11H23O-6 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
C11H23O2-2 + C11H23O2-2 = C11H23O-2 + C11H23O-2 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C11H23O2-2 + C11H23O2-3 = C11H23O-2 + C11H23O-3 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C11H23O2-2 + C11H23O2-4 = C11H23O-2 + C11H23O-4 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C11H23O2-2 + C11H23O2-5 = C11H23O-2 + C11H23O-5 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C11H23O2-2 + C11H23O2-6 = C11H23O-2 + C11H23O-6 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
C11H23O2-3 + C11H23O2-3 = C11H23O-3 + C11H23O-3 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C11H23O2-3 + C11H23O2-4 = C11H23O-3 + C11H23O-4 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C11H23O2-3 + C11H23O2-5 = C11H23O-3 + C11H23O-5 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C11H23O2-3 + C11H23O2-6 = C11H23O-3 + C11H23O-6 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
C11H23O2-4 + C11H23O2-4 = C11H23O-4 + C11H23O-4 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C11H23O2-4 + C11H23O2-5 = C11H23O-4 + C11H23O-5 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C11H23O2-4 + C11H23O2-6 = C11H23O-4 + C11H23O-6 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
C11H23O2-5 + C11H23O2-5 = C11H23O-5 + C11H23O-5 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C11H23O2-5 + C11H23O2-6 = C11H23O-5 + C11H23O-6 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
C11H23O2-6 + C11H23O2-6 = C11H23O-6 + C11H23O-6 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
C10H21O2-1 + C10H21O2-1 = C10H21O-1 + C10H21O-1 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C10H21O2-1 + C10H21O2-2 = C10H21O-1 + C10H21O-2 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C10H21O2-1 + C10H21O2-3 = C10H21O-1 + C10H21O-3 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C10H21O2-1 + C10H21O2-4 = C10H21O-1 + C10H21O-4 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C10H21O2-1 + C10H21O2-5 = C10H21O-1 + C10H21O-5 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
C10H21O2-2 + C10H21O2-2 = C10H21O-2 + C10H21O-2 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C10H21O2-2 + C10H21O2-3 = C10H21O-2 + C10H21O-3 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C10H21O2-2 + C10H21O2-4 = C10H21O-2 + C10H21O-4 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C10H21O2-2 + C10H21O2-5 = C10H21O-2 + C10H21O-5 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
C10H21O2-3 + C10H21O2-3 = C10H21O-3 + C10H21O-3 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C10H21O2-3 + C10H21O2-4 = C10H21O-3 + C10H21O-4 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C10H21O2-3 + C10H21O2-5 = C10H21O-3 + C10H21O-5 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
C10H21O2-4 + C10H21O2-4 = C10H21O-4 + C10H21O-4 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C10H21O2-4 + C10H21O2-5 = C10H21O-4 + C10H21O-5 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
C10H21O2-5 + C10H21O2-5 = C10H21O-5 + C10H21O-5 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
C9H19O2-1 + C9H19O2-1 = C9H19O-1 + C9H19O-1 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C9H19O2-1 + C9H19O2-2 = C9H19O-1 + C9H19O-2 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C9H19O2-1 + C9H19O2-3 = C9H19O-1 + C9H19O-3 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C9H19O2-1 + C9H19O2-4 = C9H19O-1 + C9H19O-4 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C9H19O2-1 + C9H19O2-5 = C9H19O-1 + C9H19O-5 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
C9H19O2-2 + C9H19O2-2 = C9H19O-2 + C9H19O-2 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C9H19O2-2 + C9H19O2-3 = C9H19O-2 + C9H19O-3 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C9H19O2-2 + C9H19O2-4 = C9H19O-2 + C9H19O-4 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C9H19O2-2 + C9H19O2-5 = C9H19O-2 + C9H19O-5 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
C9H19O2-3 + C9H19O2-3 = C9H19O-3 + C9H19O-3 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C9H19O2-3 + C9H19O2-4 = C9H19O-3 + C9H19O-4 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C9H19O2-3 + C9H19O2-5 = C9H19O-3 + C9H19O-5 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
C9H19O2-4 + C9H19O2-4 = C9H19O-4 + C9H19O-4 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C9H19O2-4 + C9H19O2-5 = C9H19O-4 + C9H19O-5 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
C9H19O2-5 + C9H19O2-5 = C9H19O-5 + C9H19O-5 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
C8H17O2-1 + C8H17O2-1 = C8H17O-1 + C8H17O-1 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C8H17O2-1 + C8H17O2-2 = C8H17O-1 + C8H17O-2 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C8H17O2-1 + C8H17O2-3 = C8H17O-1 + C8H17O-3 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C8H17O2-1 + C8H17O2-4 = C8H17O-1 + C8H17O-4 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
C8H17O2-2 + C8H17O2-2 = C8H17O-2 + C8H17O-2 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C8H17O2-2 + C8H17O2-3 = C8H17O-2 + C8H17O-3 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C8H17O2-2 + C8H17O2-4 = C8H17O-2 + C8H17O-4 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
C8H17O2-3 + C8H17O2-3 = C8H17O-3 + C8H17O-3 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
C8H17O2-3 + C8H17O2-4 = C8H17O-3 + C8H17O-4 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
C8H17O2-4 + C8H17O2-4 = C8H17O-4 + C8H17O-4 + O2 1.400E+16 -1.61 1.860E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
!
!
! CLASS 21
!
! ROOH = RO + OH
!
!
C12H25O2H-1 = C12H25O-1 + OH 1.000E+16 0.00 3.900E+04
C12H25O2H-2 = C12H25O-2 + OH 1.000E+16 0.00 3.900E+04
C12H25O2H-3 = C12H25O-3 + OH 1.000E+16 0.00 3.900E+04
C12H25O2H-4 = C12H25O-4 + OH 1.000E+16 0.00 3.900E+04
C12H25O2H-5 = C12H25O-5 + OH 1.000E+16 0.00 3.900E+04
C12H25O2H-6 = C12H25O-6 + OH 1.000E+16 0.00 3.900E+04
!
C11H23O2H-1 = C11H23O-1 + OH 1.000E+16 0.00 3.900E+04
C11H23O2H-2 = C11H23O-2 + OH 1.000E+16 0.00 3.900E+04
C11H23O2H-3 = C11H23O-3 + OH 1.000E+16 0.00 3.900E+04
C11H23O2H-4 = C11H23O-4 + OH 1.000E+16 0.00 3.900E+04
C11H23O2H-5 = C11H23O-5 + OH 1.000E+16 0.00 3.900E+04
C11H23O2H-6 = C11H23O-6 + OH 1.000E+16 0.00 3.900E+04
!
C10H21O2H-1 = C10H21O-1 + OH 1.000E+16 0.00 3.900E+04
C10H21O2H-2 = C10H21O-2 + OH 1.000E+16 0.00 3.900E+04
C10H21O2H-3 = C10H21O-3 + OH 1.000E+16 0.00 3.900E+04
C10H21O2H-4 = C10H21O-4 + OH 1.000E+16 0.00 3.900E+04
C10H21O2H-5 = C10H21O-5 + OH 1.000E+16 0.00 3.900E+04
!
C9H19O2H-1 = C9H19O-1 + OH 1.000E+16 0.00 3.900E+04
C9H19O2H-2 = C9H19O-2 + OH 1.000E+16 0.00 3.900E+04
C9H19O2H-3 = C9H19O-3 + OH 1.000E+16 0.00 3.900E+04
C9H19O2H-4 = C9H19O-4 + OH 1.000E+16 0.00 3.900E+04
C9H19O2H-5 = C9H19O-5 + OH 1.000E+16 0.00 3.900E+04
!
C8H17O2H-1 = C8H17O-1 + OH 1.000E+16 0.00 3.900E+04
C8H17O2H-2 = C8H17O-2 + OH 1.000E+16 0.00 3.900E+04
C8H17O2H-3 = C8H17O-3 + OH 1.000E+16 0.00 3.900E+04
C8H17O2H-4 = C8H17O-4 + OH 1.000E+16 0.00 3.900E+04
!
!
!
!
! CLASS 22 ALKOXY RADICAL DECOMPOSITION
!
!
!
CH2O+C11H23-1 = C12H25O-1 1.00E+11 0. 11900.
CH3CHO+C10H21-1 = C12H25O-2 1.00E+11 0. 11900.
C2H5CHO+C9H19-1 = C12H25O-3 1.00E+11 0. 11900.
NC3H7CHO+C8H17-1 = C12H25O-4 1.00E+11 0. 11900.
NC4H9CHO+C7H15-1 = C12H25O-5 1.00E+11 0. 11900.
NC5H11CHO+C6H13-1 = C12H25O-6 1.00E+11 0. 11900.
!
CH2O+C10H21-1 = C11H23O-1 1.00E+11 0. 11900.
CH3CHO+C9H19-1 = C11H23O-2 1.00E+11 0. 11900.
C2H5CHO+C8H17-1 = C11H23O-3 1.00E+11 0. 11900.
NC3H7CHO+C7H15-1 = C11H23O-4 1.00E+11 0. 11900.
NC4H9CHO+C6H13-1 = C11H23O-5 1.00E+11 0. 11900.
NC5H11CHO+C5H11-1 = C11H23O-6 1.00E+11 0. 11900.
!
CH2O+C9H19-1 = C10H21O-1 1.00E+11 0. 11900.
CH3CHO+C8H17-1 = C10H21O-2 1.00E+11 0. 11900.
C2H5CHO+C7H15-1 = C10H21O-3 1.00E+11 0. 11900.
NC3H7CHO+C6H13-1 = C10H21O-4 1.00E+11 0. 11900.
NC4H9CHO+C5H11-1 = C10H21O-5 1.00E+11 0. 11900.
!
CH2O+C8H17-1 = C9H19O-1 1.00E+11 0. 11900.
CH3CHO+C7H15-1 = C9H19O-2 1.00E+11 0. 11900.
C2H5CHO+C6H13-1 = C9H19O-3 1.00E+11 0. 11900.
NC3H7CHO+C5H11-1 = C9H19O-4 1.00E+11 0. 11900.
NC4H9CHO+SC4H9 = C9H19O-5 1.00E+11 0. 11900.
!
CH2O+C7H15-1 = C8H17O-1 1.00E+11 0. 11900.
CH3CHO+C6H13-1 = C8H17O-2 1.00E+11 0. 11900.
C2H5CHO+C5H11-1 = C8H17O-3 1.00E+11 0. 11900.
NC3H7CHO+PC4H9 = C8H17O-4 1.00E+11 0. 11900.
!
!
!
!
! CLASS 23
!
! QOOH = CYCLIC ETHER + OH
!
!
!
C12OOH1-2 = C12O1-2 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH2-1 = C12O1-2 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH2-3 = C12O2-3 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH3-2 = C12O2-3 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH3-4 = C12O3-4 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH4-3 = C12O3-4 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH4-5 = C12O4-5 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH5-4 = C12O4-5 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH5-6 = C12O5-6 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH6-5 = C12O5-6 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH6-7 = C12O6-7 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
!
!
C11OOH1-2 = C11O1-2 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11OOH2-1 = C11O1-2 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11OOH2-3 = C11O2-3 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11OOH3-2 = C11O2-3 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11OOH3-4 = C11O3-4 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11OOH4-3 = C11O3-4 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11OOH4-5 = C11O4-5 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11OOH5-4 = C11O4-5 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11OOH5-6 = C11O5-6 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11OOH6-5 = C11O5-6 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
!
!
C10OOH1-2 = C10O1-2 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10OOH2-1 = C10O1-2 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10OOH2-3 = C10O2-3 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10OOH3-2 = C10O2-3 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10OOH3-4 = C10O3-4 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10OOH4-3 = C10O3-4 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10OOH4-5 = C10O4-5 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10OOH5-4 = C10O4-5 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10OOH5-6 = C10O5-6 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
!
!
C9OOH1-2 = C9O1-2 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9OOH2-1 = C9O1-2 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9OOH2-3 = C9O2-3 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9OOH3-2 = C9O2-3 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9OOH3-4 = C9O3-4 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9OOH4-3 = C9O3-4 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9OOH4-5 = C9O4-5 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9OOH5-4 = C9O4-5 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
!
!
C8OOH1-2 = C8O1-2 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
C8OOH2-1 = C8O1-2 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
C8OOH2-3 = C8O2-3 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
C8OOH3-2 = C8O2-3 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
C8OOH3-4 = C8O3-4 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
C8OOH4-3 = C8O3-4 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
C8OOH4-5 = C8O4-5 + OH 6.000E+11 0.00 2.200E+04
REV / 0.000E+00 0.00 0.000E+00 /
!
!
!
C12OOH1-3 = C12O1-3 + OH 7.500E+10 0.00 1.525E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH3-1 = C12O1-3 + OH 7.500E+10 0.00 1.525E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH2-4 = C12O2-4 + OH 7.500E+10 0.00 1.525E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH4-2 = C12O2-4 + OH 7.500E+10 0.00 1.525E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH3-5 = C12O3-5 + OH 7.500E+10 0.00 1.525E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH5-3 = C12O3-5 + OH 7.500E+10 0.00 1.525E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH4-6 = C12O4-6 + OH 7.500E+10 0.00 1.525E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH6-4 = C12O4-6 + OH 7.500E+10 0.00 1.525E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH5-7 = C12O5-7 + OH 7.500E+10 0.00 1.525E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH6-8 = C12O5-7 + OH 7.500E+10 0.00 1.525E+04
REV / 0.000E+00 0.00 0.000E+00 /
!
!
C11OOH1-3 = C11O1-3 + OH 7.500E+10 0.00 1.525E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11OOH3-1 = C11O1-3 + OH 7.500E+10 0.00 1.525E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11OOH2-4 = C11O2-4 + OH 7.500E+10 0.00 1.525E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11OOH4-2 = C11O2-4 + OH 7.500E+10 0.00 1.525E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11OOH3-5 = C11O3-5 + OH 7.500E+10 0.00 1.525E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11OOH5-3 = C11O3-5 + OH 7.500E+10 0.00 1.525E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11OOH4-6 = C11O4-6 + OH 7.500E+10 0.00 1.525E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11OOH6-4 = C11O4-6 + OH 7.500E+10 0.00 1.525E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11OOH5-7 = C11O5-7 + OH 7.500E+10 0.00 1.525E+04
REV / 0.000E+00 0.00 0.000E+00 /
!
!
C10OOH1-3 = C10O1-3 + OH 7.500E+10 0.00 1.525E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10OOH3-1 = C10O1-3 + OH 7.500E+10 0.00 1.525E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10OOH2-4 = C10O2-4 + OH 7.500E+10 0.00 1.525E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10OOH4-2 = C10O2-4 + OH 7.500E+10 0.00 1.525E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10OOH3-5 = C10O3-5 + OH 7.500E+10 0.00 1.525E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10OOH5-3 = C10O3-5 + OH 7.500E+10 0.00 1.525E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10OOH4-6 = C10O4-6 + OH 7.500E+10 0.00 1.525E+04
REV / 0.000E+00 0.00 0.000E+00 /
!
!
C9OOH1-3 = C9O1-3 + OH 7.500E+10 0.00 1.525E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9OOH3-1 = C9O1-3 + OH 7.500E+10 0.00 1.525E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9OOH2-4 = C9O2-4 + OH 7.500E+10 0.00 1.525E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9OOH4-2 = C9O2-4 + OH 7.500E+10 0.00 1.525E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9OOH3-5 = C9O3-5 + OH 7.500E+10 0.00 1.525E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9OOH5-3 = C9O3-5 + OH 7.500E+10 0.00 1.525E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9OOH4-6 = C9O4-6 + OH 7.500E+10 0.00 1.525E+04
REV / 0.000E+00 0.00 0.000E+00 /
!
!
C8OOH1-3 = C8O1-3 + OH 7.500E+10 0.00 1.525E+04
REV / 0.000E+00 0.00 0.000E+00 /
C8OOH3-1 = C8O1-3 + OH 7.500E+10 0.00 1.525E+04
REV / 0.000E+00 0.00 0.000E+00 /
C8OOH2-4 = C8O2-4 + OH 7.500E+10 0.00 1.525E+04
REV / 0.000E+00 0.00 0.000E+00 /
C8OOH4-2 = C8O2-4 + OH 7.500E+10 0.00 1.525E+04
REV / 0.000E+00 0.00 0.000E+00 /
C8OOH3-5 = C8O3-5 + OH 7.500E+10 0.00 1.525E+04
REV / 0.000E+00 0.00 0.000E+00 /
!
!
!
C12OOH1-4 = C12O1-4 + OH 9.375E+09 0.00 7.000E+03
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH4-1 = C12O1-4 + OH 9.375E+09 0.00 7.000E+03
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH2-5 = C12O2-5 + OH 9.375E+09 0.00 7.000E+03
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH5-2 = C12O2-5 + OH 9.375E+09 0.00 7.000E+03
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH3-6 = C12O3-6 + OH 9.375E+09 0.00 7.000E+03
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH6-3 = C12O3-6 + OH 9.375E+09 0.00 7.000E+03
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH4-7 = C12O4-7 + OH 9.375E+09 0.00 7.000E+03
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH6-9 = C12O4-7 + OH 9.375E+09 0.00 7.000E+03
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH5-8 = C12O5-8 + OH 9.375E+09 0.00 7.000E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
!
C11OOH1-4 = C11O1-4 + OH 9.375E+09 0.00 7.000E+03
REV / 0.000E+00 0.00 0.000E+00 /
C11OOH4-1 = C11O1-4 + OH 9.375E+09 0.00 7.000E+03
REV / 0.000E+00 0.00 0.000E+00 /
C11OOH2-5 = C11O2-5 + OH 9.375E+09 0.00 7.000E+03
REV / 0.000E+00 0.00 0.000E+00 /
C11OOH5-2 = C11O2-5 + OH 9.375E+09 0.00 7.000E+03
REV / 0.000E+00 0.00 0.000E+00 /
C11OOH3-6 = C11O3-6 + OH 9.375E+09 0.00 7.000E+03
REV / 0.000E+00 0.00 0.000E+00 /
C11OOH6-3 = C11O3-6 + OH 9.375E+09 0.00 7.000E+03
REV / 0.000E+00 0.00 0.000E+00 /
C11OOH4-7 = C11O4-7 + OH 9.375E+09 0.00 7.000E+03
REV / 0.000E+00 0.00 0.000E+00 /
C11OOH5-8 = C11O4-7 + OH 9.375E+09 0.00 7.000E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
!
C10OOH1-4 = C10O1-4 + OH 9.375E+09 0.00 7.000E+03
REV / 0.000E+00 0.00 0.000E+00 /
C10OOH4-1 = C10O1-4 + OH 9.375E+09 0.00 7.000E+03
REV / 0.000E+00 0.00 0.000E+00 /
C10OOH2-5 = C10O2-5 + OH 9.375E+09 0.00 7.000E+03
REV / 0.000E+00 0.00 0.000E+00 /
C10OOH5-2 = C10O2-5 + OH 9.375E+09 0.00 7.000E+03
REV / 0.000E+00 0.00 0.000E+00 /
C10OOH3-6 = C10O3-6 + OH 9.375E+09 0.00 7.000E+03
REV / 0.000E+00 0.00 0.000E+00 /
C10OOH5-8 = C10O3-6 + OH 9.375E+09 0.00 7.000E+03
REV / 0.000E+00 0.00 0.000E+00 /
C10OOH4-7 = C10O4-7 + OH 9.375E+09 0.00 7.000E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
!
C9OOH1-4 = C9O1-4 + OH 9.375E+09 0.00 7.000E+03
REV / 0.000E+00 0.00 0.000E+00 /
C9OOH4-1 = C9O1-4 + OH 9.375E+09 0.00 7.000E+03
REV / 0.000E+00 0.00 0.000E+00 /
C9OOH2-5 = C9O2-5 + OH 9.375E+09 0.00 7.000E+03
REV / 0.000E+00 0.00 0.000E+00 /
C9OOH5-2 = C9O2-5 + OH 9.375E+09 0.00 7.000E+03
REV / 0.000E+00 0.00 0.000E+00 /
C9OOH3-6 = C9O3-6 + OH 9.375E+09 0.00 7.000E+03
REV / 0.000E+00 0.00 0.000E+00 /
C9OOH4-7 = C9O3-6 + OH 9.375E+09 0.00 7.000E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
!
C8OOH1-4 = C8O1-4 + OH 9.375E+09 0.00 7.000E+03
REV / 0.000E+00 0.00 0.000E+00 /
C8OOH4-1 = C8O1-4 + OH 9.375E+09 0.00 7.000E+03
REV / 0.000E+00 0.00 0.000E+00 /
C8OOH2-5 = C8O2-5 + OH 9.375E+09 0.00 7.000E+03
REV / 0.000E+00 0.00 0.000E+00 /
C8OOH4-7 = C8O2-5 + OH 9.375E+09 0.00 7.000E+03
REV / 0.000E+00 0.00 0.000E+00 /
C8OOH3-6 = C8O3-6 + OH 9.375E+09 0.00 7.000E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
!
!
C12OOH1-5 = C12O1-5 + OH 1.172E+09 0.00 1.800E+03
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH5-1 = C12O1-5 + OH 1.172E+09 0.00 1.800E+03
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH2-6 = C12O2-6 + OH 1.172E+09 0.00 1.800E+03
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH6-2 = C12O2-6 + OH 1.172E+09 0.00 1.800E+03
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH3-7 = C12O3-7 + OH 1.172E+09 0.00 1.800E+03
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH6-10 = C12O3-7 + OH 1.172E+09 0.00 1.800E+03
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH4-8 = C12O4-8 + OH 1.172E+09 0.00 1.800E+03
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH5-9 = C12O4-8 + OH 1.172E+09 0.00 1.800E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
!
C11OOH1-5 = C11O1-5 + OH 1.172E+09 0.00 1.800E+03
REV / 0.000E+00 0.00 0.000E+00 /
C11OOH5-1 = C11O1-5 + OH 1.172E+09 0.00 1.800E+03
REV / 0.000E+00 0.00 0.000E+00 /
C11OOH2-6 = C11O2-6 + OH 1.172E+09 0.00 1.800E+03
REV / 0.000E+00 0.00 0.000E+00 /
C11OOH6-2 = C11O2-6 + OH 1.172E+09 0.00 1.800E+03
REV / 0.000E+00 0.00 0.000E+00 /
C11OOH3-7 = C11O3-7 + OH 1.172E+09 0.00 1.800E+03
REV / 0.000E+00 0.00 0.000E+00 /
C11OOH5-9 = C11O3-7 + OH 1.172E+09 0.00 1.800E+03
REV / 0.000E+00 0.00 0.000E+00 /
C11OOH4-8 = C11O4-8 + OH 1.172E+09 0.00 1.800E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
!
C10OOH1-5 = C10O1-5 + OH 1.172E+09 0.00 1.800E+03
REV / 0.000E+00 0.00 0.000E+00 /
C10OOH5-1 = C10O1-5 + OH 1.172E+09 0.00 1.800E+03
REV / 0.000E+00 0.00 0.000E+00 /
C10OOH2-6 = C10O2-6 + OH 1.172E+09 0.00 1.800E+03
REV / 0.000E+00 0.00 0.000E+00 /
C10OOH5-9 = C10O2-6 + OH 1.172E+09 0.00 1.800E+03
REV / 0.000E+00 0.00 0.000E+00 /
C10OOH3-7 = C10O3-7 + OH 1.172E+09 0.00 1.800E+03
REV / 0.000E+00 0.00 0.000E+00 /
C10OOH4-8 = C10O3-7 + OH 1.172E+09 0.00 1.800E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
!
C9OOH1-5 = C9O1-5 + OH 1.172E+09 0.00 1.800E+03
REV / 0.000E+00 0.00 0.000E+00 /
C9OOH5-1 = C9O1-5 + OH 1.172E+09 0.00 1.800E+03
REV / 0.000E+00 0.00 0.000E+00 /
C9OOH2-6 = C9O2-6 + OH 1.172E+09 0.00 1.800E+03
REV / 0.000E+00 0.00 0.000E+00 /
C9OOH4-8 = C9O2-6 + OH 1.172E+09 0.00 1.800E+03
REV / 0.000E+00 0.00 0.000E+00 /
C9OOH3-7 = C9O3-7 + OH 1.172E+09 0.00 1.800E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
!
C8OOH1-5 = C8O1-5 + OH 1.172E+09 0.00 1.800E+03
REV / 0.000E+00 0.00 0.000E+00 /
C8OOH4-8 = C8O1-5 + OH 1.172E+09 0.00 1.800E+03
REV / 0.000E+00 0.00 0.000E+00 /
C8OOH2-6 = C8O2-6 + OH 1.172E+09 0.00 1.800E+03
REV / 0.000E+00 0.00 0.000E+00 /
C8OOH3-7 = C8O2-6 + OH 1.172E+09 0.00 1.800E+03
REV / 0.000E+00 0.00 0.000E+00 /
!
!
!
!
! CLASS 24
!
! QOOH = Q + HO2
!
!
C12H24-1+HO2 = C12OOH1-2 1.00E+11 0.00 1.19E+04
C12H24-1+HO2 = C12OOH2-1 1.00E+11 0.00 1.19E+04
C12H24-2+HO2 = C12OOH2-3 1.00E+11 0.00 1.19E+04
C12H24-2+HO2 = C12OOH3-2 1.00E+11 0.00 1.19E+04
C12H24-3+HO2 = C12OOH3-4 1.00E+11 0.00 1.19E+04
C12H24-3+HO2 = C12OOH4-3 1.00E+11 0.00 1.19E+04
C12H24-4+HO2 = C12OOH4-5 1.00E+11 0.00 1.19E+04
C12H24-4+HO2 = C12OOH5-4 1.00E+11 0.00 1.19E+04
C12H24-5+HO2 = C12OOH5-6 1.00E+11 0.00 1.19E+04
C12H24-5+HO2 = C12OOH6-5 1.00E+11 0.00 1.19E+04
C12H24-6+HO2 = C12OOH6-7 1.00E+11 0.00 1.19E+04
!
!
C11H22-1+HO2 = C11OOH1-2 1.00E+11 0.00 1.19E+04
C11H22-1+HO2 = C11OOH2-1 1.00E+11 0.00 1.19E+04
C11H22-2+HO2 = C11OOH2-3 1.00E+11 0.00 1.19E+04
C11H22-2+HO2 = C11OOH3-2 1.00E+11 0.00 1.19E+04
C11H22-3+HO2 = C11OOH3-4 1.00E+11 0.00 1.19E+04
C11H22-3+HO2 = C11OOH4-3 1.00E+11 0.00 1.19E+04
C11H22-4+HO2 = C11OOH4-5 1.00E+11 0.00 1.19E+04
C11H22-4+HO2 = C11OOH5-4 1.00E+11 0.00 1.19E+04
C11H22-5+HO2 = C11OOH5-6 1.00E+11 0.00 1.19E+04
C11H22-5+HO2 = C11OOH6-5 1.00E+11 0.00 1.19E+04
!
!
C10H20-1+HO2 = C10OOH1-2 1.00E+11 0.00 1.19E+04
C10H20-1+HO2 = C10OOH2-1 1.00E+11 0.00 1.19E+04
C10H20-2+HO2 = C10OOH2-3 1.00E+11 0.00 1.19E+04
C10H20-2+HO2 = C10OOH3-2 1.00E+11 0.00 1.19E+04
C10H20-3+HO2 = C10OOH3-4 1.00E+11 0.00 1.19E+04
C10H20-3+HO2 = C10OOH4-3 1.00E+11 0.00 1.19E+04
C10H20-4+HO2 = C10OOH4-5 1.00E+11 0.00 1.19E+04
C10H20-4+HO2 = C10OOH5-4 1.00E+11 0.00 1.19E+04
C10H20-5+HO2 = C10OOH5-6 1.00E+11 0.00 1.19E+04
!
!
C9H18-1+HO2 = C9OOH1-2 1.00E+11 0.00 1.19E+04
C9H18-1+HO2 = C9OOH2-1 1.00E+11 0.00 1.19E+04
C9H18-2+HO2 = C9OOH2-3 1.00E+11 0.00 1.19E+04
C9H18-2+HO2 = C9OOH3-2 1.00E+11 0.00 1.19E+04
C9H18-3+HO2 = C9OOH3-4 1.00E+11 0.00 1.19E+04
C9H18-3+HO2 = C9OOH4-3 1.00E+11 0.00 1.19E+04
C9H18-4+HO2 = C9OOH4-5 1.00E+11 0.00 1.19E+04
C9H18-4+HO2 = C9OOH5-4 1.00E+11 0.00 1.19E+04
!
!
C8H16-1+HO2 = C8OOH1-2 1.00E+11 0.00 1.19E+04
C8H16-1+HO2 = C8OOH2-1 1.00E+11 0.00 1.19E+04
C8H16-2+HO2 = C8OOH2-3 1.00E+11 0.00 1.19E+04
C8H16-2+HO2 = C8OOH3-2 1.00E+11 0.00 1.19E+04
C8H16-3+HO2 = C8OOH3-4 1.00E+11 0.00 1.19E+04
C8H16-3+HO2 = C8OOH4-3 1.00E+11 0.00 1.19E+04
C8H16-4+HO2 = C8OOH4-5 1.00E+11 0.00 1.19E+04
!
!
!
!
!
!
! CLASS 25 BETA DECOMPOSITION OF ROOH
!
!
C12OOH1-3 = OH+CH2O+C11H22-1 1.00E+13 0.00 3.0E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH2-4 = OH+CH3CHO+C10H20-1 1.00E+13 0.00 3.0E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH3-1 = OH+C2H4+NC9H19CHO 1.00E+13 0.00 3.0E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH3-5 = OH+C2H5CHO+C9H18-1 1.00E+13 0.00 3.0E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH4-2 = OH+C3H6+NC8H17CHO 1.00E+13 0.00 3.0E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH4-6 = OH+NC3H7CHO+C8H16-1 1.00E+13 0.00 3.0E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH5-3 = OH+C4H8-1+NC7H15CHO 1.00E+13 0.00 3.0E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH5-7 = OH+NC4H9CHO+C7H14-1 1.00E+13 0.00 3.0E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH6-4 = OH+C5H10-1+NC6H13CHO 1.00E+13 0.00 3.0E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12OOH6-8 = OH+NC5H11CHO+C6H12-1 1.00E+13 0.00 3.0E+04
REV / 0.000E+00 0.00 0.000E+00 /
!
C11OOH1-3 = OH+CH2O+C10H20-1 1.00E+13 0.00 3.0E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11OOH2-4 = OH+CH3CHO+C9H18-1 1.00E+13 0.00 3.0E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11OOH3-1 = OH+C2H4+NC8H17CHO 1.00E+13 0.00 3.0E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11OOH3-5 = OH+C2H5CHO+C8H16-1 1.00E+13 0.00 3.0E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11OOH4-2 = OH+C3H6+NC7H15CHO 1.00E+13 0.00 3.0E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11OOH4-6 = OH+NC3H7CHO+C7H14-1 1.00E+13 0.00 3.0E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11OOH5-3 = OH+C4H8-1+NC6H13CHO 1.00E+13 0.00 3.0E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11OOH5-7 = OH+NC4H9CHO+C6H12-1 1.00E+13 0.00 3.0E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11OOH6-4 = OH+C5H10-1+NC5H11CHO 1.00E+13 0.00 3.0E+04
REV / 0.000E+00 0.00 0.000E+00 /
!
C10OOH1-3 = OH+CH2O+C9H18-1 1.00E+13 0.00 3.0E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10OOH2-4 = OH+CH3CHO+C8H16-1 1.00E+13 0.00 3.0E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10OOH3-1 = OH+C2H4+NC7H15CHO 1.00E+13 0.00 3.0E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10OOH3-5 = OH+C2H5CHO+C7H14-1 1.00E+13 0.00 3.0E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10OOH4-2 = OH+C3H6+NC6H13CHO 1.00E+13 0.00 3.0E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10OOH4-6 = OH+NC3H7CHO+C6H12-1 1.00E+13 0.00 3.0E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10OOH5-3 = OH+C4H8-1+NC5H11CHO 1.00E+13 0.00 3.0E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10OOH5-7 = OH+NC4H9CHO+C5H10-1 1.00E+13 0.00 3.0E+04
REV / 0.000E+00 0.00 0.000E+00 /
!
C9OOH1-3 = OH+CH2O+C8H16-1 1.00E+13 0.00 3.0E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9OOH2-4 = OH+CH3CHO+C7H14-1 1.00E+13 0.00 3.0E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9OOH3-1 = OH+C2H4+NC6H13CHO 1.00E+13 0.00 3.0E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9OOH3-5 = OH+C2H5CHO+C6H12-1 1.00E+13 0.00 3.0E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9OOH4-2 = OH+C3H6+NC5H11CHO 1.00E+13 0.00 3.0E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9OOH4-6 = OH+NC3H7CHO+C5H10-1 1.00E+13 0.00 3.0E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9OOH5-3 = OH+C4H8-1+NC4H9CHO 1.00E+13 0.00 3.0E+04
REV / 0.000E+00 0.00 0.000E+00 /
!
C8OOH1-3 = OH+CH2O+C7H14-1 1.00E+13 0.00 3.0E+04
REV / 0.000E+00 0.00 0.000E+00 /
C8OOH2-4 = OH+CH3CHO+C6H12-1 1.00E+13 0.00 3.0E+04
REV / 0.000E+00 0.00 0.000E+00 /
C8OOH3-1 = OH+C2H4+NC5H11CHO 1.00E+13 0.00 3.0E+04
REV / 0.000E+00 0.00 0.000E+00 /
C8OOH3-5 = OH+C2H5CHO+C5H10-1 1.00E+13 0.00 3.0E+04
REV / 0.000E+00 0.00 0.000E+00 /
C8OOH4-2 = OH+C3H6+NC4H9CHO 1.00E+13 0.00 3.0E+04
REV / 0.000E+00 0.00 0.000E+00 /
C8OOH4-6 = OH+NC3H7CHO+C4H8-1 1.00E+13 0.00 3.0E+04
REV / 0.000E+00 0.00 0.000E+00 /
!
!
!
! CLASS 26 QOOH + O2 = O2QOOH
!
! ADDITION OF SECOND O2
!
!
C12OOH1-2 + O2 = C12OOH1-2O2 7.54E+12 0
0.00E+00
C12OOH1-3 + O2 = C12OOH1-3O2 7.54E+12 0
0.00E+00
C12OOH1-4 + O2 = C12OOH1-4O2 7.54E+12 0
0.00E+00
C12OOH1-5 + O2 = C12OOH1-5O2 7.54E+12 0
0.00E+00
!
C12OOH2-1 + O2 = C12OOH2-1O2 4.52E+12 0
0.00E+00
C12OOH2-3 + O2 = C12OOH2-3O2 7.54E+12 0
0.00E+00
C12OOH2-4 + O2 = C12OOH2-4O2 7.54E+12 0
0.00E+00
C12OOH2-5 + O2 = C12OOH2-5O2 7.54E+12 0
0.00E+00
C12OOH2-6 + O2 = C12OOH2-6O2 7.54E+12 0
0.00E+00
!
C12OOH3-1 + O2 = C12OOH3-1O2 4.52E+12 0
0.00E+00
C12OOH3-2 + O2 = C12OOH3-2O2 7.54E+12 0
0.00E+00
C12OOH3-4 + O2 = C12OOH3-4O2 7.54E+12 0
0.00E+00
C12OOH3-5 + O2 = C12OOH3-5O2 7.54E+12 0
0.00E+00
C12OOH3-6 + O2 = C12OOH3-6O2 7.54E+12 0
0.00E+00
C12OOH3-7 + O2 = C12OOH3-7O2 7.54E+12 0
0.00E+00
!
C12OOH4-1 + O2 = C12OOH4-1O2 4.52E+12 0
0.00E+00
C12OOH4-2 + O2 = C12OOH4-2O2 7.54E+12 0
0.00E+00
C12OOH4-3 + O2 = C12OOH4-3O2 7.54E+12 0
0.00E+00
C12OOH4-5 + O2 = C12OOH4-5O2 7.54E+12 0
0.00E+00
C12OOH4-6 + O2 = C12OOH4-6O2 7.54E+12 0
0.00E+00
C12OOH4-7 + O2 = C12OOH4-7O2 7.54E+12 0
0.00E+00
C12OOH4-8 + O2 = C12OOH4-8O2 7.54E+12 0
0.00E+00
!
C12OOH5-1 + O2 = C12OOH5-1O2 4.52E+12 0
0.00E+00
C12OOH5-2 + O2 = C12OOH5-2O2 7.54E+12 0
0.00E+00
C12OOH5-3 + O2 = C12OOH5-3O2 7.54E+12 0
0.00E+00
C12OOH5-4 + O2 = C12OOH5-4O2 7.54E+12 0
0.00E+00
C12OOH5-6 + O2 = C12OOH5-6O2 7.54E+12 0
0.00E+00
C12OOH5-7 + O2 = C12OOH5-7O2 7.54E+12 0
0.00E+00
C12OOH5-8 + O2 = C12OOH5-8O2 7.54E+12 0
0.00E+00
C12OOH5-9 + O2 = C12OOH5-9O2 7.54E+12 0
0.00E+00
!
C12OOH6-2 + O2 = C12OOH6-2O2 7.54E+12 0
0.00E+00
C12OOH6-3 + O2 = C12OOH6-3O2 7.54E+12 0
0.00E+00
C12OOH6-4 + O2 = C12OOH6-4O2 7.54E+12 0
0.00E+00
C12OOH6-5 + O2 = C12OOH6-5O2 7.54E+12 0
0.00E+00
C12OOH6-7 + O2 = C12OOH6-7O2 7.54E+12 0
0.00E+00
C12OOH6-8 + O2 = C12OOH6-8O2 7.54E+12 0
0.00E+00
C12OOH6-9 + O2 = C12OOH6-9O2 7.54E+12 0
0.00E+00
C12OOH6-10 + O2 = C12OOH6-10O2 7.54E+12 0
0.00E+00
!
C11OOH1-2 + O2 = C11OOH1-2O2 7.54E+12 0
0.00E+00
C11OOH1-3 + O2 = C11OOH1-3O2 7.54E+12 0
0.00E+00
C11OOH1-4 + O2 = C11OOH1-4O2 7.54E+12 0
0.00E+00
C11OOH1-5 + O2 = C11OOH1-5O2 7.54E+12 0
0.00E+00
!
C11OOH2-1 + O2 = C11OOH2-1O2 4.52E+12 0
0.00E+00
C11OOH2-3 + O2 = C11OOH2-3O2 7.54E+12 0
0.00E+00
C11OOH2-4 + O2 = C11OOH2-4O2 7.54E+12 0
0.00E+00
C11OOH2-5 + O2 = C11OOH2-5O2 7.54E+12 0
0.00E+00
C11OOH2-6 + O2 = C11OOH2-6O2 7.54E+12 0
0.00E+00
!
C11OOH3-1 + O2 = C11OOH3-1O2 4.52E+12 0
0.00E+00
C11OOH3-2 + O2 = C11OOH3-2O2 7.54E+12 0
0.00E+00
C11OOH3-4 + O2 = C11OOH3-4O2 7.54E+12 0
0.00E+00
C11OOH3-5 + O2 = C11OOH3-5O2 7.54E+12 0
0.00E+00
C11OOH3-6 + O2 = C11OOH3-6O2 7.54E+12 0
0.00E+00
C11OOH3-7 + O2 = C11OOH3-7O2 7.54E+12 0
0.00E+00
!
C11OOH4-1 + O2 = C11OOH4-1O2 4.52E+12 0
0.00E+00
C11OOH4-2 + O2 = C11OOH4-2O2 7.54E+12 0
0.00E+00
C11OOH4-3 + O2 = C11OOH4-3O2 7.54E+12 0
0.00E+00
C11OOH4-5 + O2 = C11OOH4-5O2 7.54E+12 0
0.00E+00
C11OOH4-6 + O2 = C11OOH4-6O2 7.54E+12 0
0.00E+00
C11OOH4-7 + O2 = C11OOH4-7O2 7.54E+12 0
0.00E+00
C11OOH4-8 + O2 = C11OOH4-8O2 7.54E+12 0
0.00E+00
!
C11OOH5-1 + O2 = C11OOH5-1O2 4.52E+12 0
0.00E+00
C11OOH5-2 + O2 = C11OOH5-2O2 7.54E+12 0
0.00E+00
C11OOH5-3 + O2 = C11OOH5-3O2 7.54E+12 0
0.00E+00
C11OOH5-4 + O2 = C11OOH5-4O2 7.54E+12 0
0.00E+00
C11OOH5-6 + O2 = C11OOH5-6O2 7.54E+12 0
0.00E+00
C11OOH5-7 + O2 = C11OOH5-7O2 7.54E+12 0
0.00E+00
C11OOH5-8 + O2 = C11OOH5-8O2 7.54E+12 0
0.00E+00
C11OOH5-9 + O2 = C11OOH5-9O2 7.54E+12 0
0.00E+00
!
C11OOH6-2 + O2 = C11OOH6-2O2 7.54E+12 0
0.00E+00
C11OOH6-3 + O2 = C11OOH6-3O2 7.54E+12 0
0.00E+00
C11OOH6-4 + O2 = C11OOH6-4O2 7.54E+12 0
0.00E+00
C11OOH6-5 + O2 = C11OOH6-5O2 7.54E+12 0
0.00E+00
!
C10OOH1-2 + O2 = C10OOH1-2O2 7.54E+12 0
0.00E+00
C10OOH1-3 + O2 = C10OOH1-3O2 7.54E+12 0
0.00E+00
C10OOH1-4 + O2 = C10OOH1-4O2 7.54E+12 0
0.00E+00
C10OOH1-5 + O2 = C10OOH1-5O2 7.54E+12 0
0.00E+00
!
C10OOH2-1 + O2 = C10OOH2-1O2 4.52E+12 0
0.00E+00
C10OOH2-3 + O2 = C10OOH2-3O2 7.54E+12 0
0.00E+00
C10OOH2-4 + O2 = C10OOH2-4O2 7.54E+12 0
0.00E+00
C10OOH2-5 + O2 = C10OOH2-5O2 7.54E+12 0
0.00E+00
C10OOH2-6 + O2 = C10OOH2-6O2 7.54E+12 0
0.00E+00
!
C10OOH3-1 + O2 = C10OOH3-1O2 4.52E+12 0
0.00E+00
C10OOH3-2 + O2 = C10OOH3-2O2 7.54E+12 0
0.00E+00
C10OOH3-4 + O2 = C10OOH3-4O2 7.54E+12 0
0.00E+00
C10OOH3-5 + O2 = C10OOH3-5O2 7.54E+12 0
0.00E+00
C10OOH3-6 + O2 = C10OOH3-6O2 7.54E+12 0
0.00E+00
C10OOH3-7 + O2 = C10OOH3-7O2 7.54E+12 0
0.00E+00
!
C10OOH4-1 + O2 = C10OOH4-1O2 4.52E+12 0
0.00E+00
C10OOH4-2 + O2 = C10OOH4-2O2 7.54E+12 0
0.00E+00
C10OOH4-3 + O2 = C10OOH4-3O2 7.54E+12 0
0.00E+00
C10OOH4-5 + O2 = C10OOH4-5O2 7.54E+12 0
0.00E+00
C10OOH4-6 + O2 = C10OOH4-6O2 7.54E+12 0
0.00E+00
C10OOH4-7 + O2 = C10OOH4-7O2 7.54E+12 0
0.00E+00
C10OOH4-8 + O2 = C10OOH4-8O2 7.54E+12 0
0.00E+00
!
C10OOH5-1 + O2 = C10OOH5-1O2 4.52E+12 0
0.00E+00
C10OOH5-2 + O2 = C10OOH5-2O2 7.54E+12 0
0.00E+00
C10OOH5-3 + O2 = C10OOH5-3O2 7.54E+12 0
0.00E+00
C10OOH5-4 + O2 = C10OOH5-4O2 7.54E+12 0
0.00E+00
C10OOH5-6 + O2 = C10OOH5-6O2 7.54E+12 0
0.00E+00
C10OOH5-7 + O2 = C10OOH5-7O2 7.54E+12 0
0.00E+00
C10OOH5-8 + O2 = C10OOH5-8O2 7.54E+12 0
0.00E+00
C10OOH5-9 + O2 = C10OOH5-9O2 7.54E+12 0
0.00E+00
!
C9OOH1-2 + O2 = C9OOH1-2O2 7.54E+12 0
0.00E+00
C9OOH1-3 + O2 = C9OOH1-3O2 7.54E+12 0
0.00E+00
C9OOH1-4 + O2 = C9OOH1-4O2 7.54E+12 0
0.00E+00
C9OOH1-5 + O2 = C9OOH1-5O2 7.54E+12 0
0.00E+00
!
C9OOH2-1 + O2 = C9OOH2-1O2 4.52E+12 0
0.00E+00
C9OOH2-3 + O2 = C9OOH2-3O2 7.54E+12 0
0.00E+00
C9OOH2-4 + O2 = C9OOH2-4O2 7.54E+12 0
0.00E+00
C9OOH2-5 + O2 = C9OOH2-5O2 7.54E+12 0
0.00E+00
C9OOH2-6 + O2 = C9OOH2-6O2 7.54E+12 0
0.00E+00
!
C9OOH3-1 + O2 = C9OOH3-1O2 4.52E+12 0
0.00E+00
C9OOH3-2 + O2 = C9OOH3-2O2 7.54E+12 0
0.00E+00
C9OOH3-4 + O2 = C9OOH3-4O2 7.54E+12 0
0.00E+00
C9OOH3-5 + O2 = C9OOH3-5O2 7.54E+12 0
0.00E+00
C9OOH3-6 + O2 = C9OOH3-6O2 7.54E+12 0
0.00E+00
C9OOH3-7 + O2 = C9OOH3-7O2 7.54E+12 0
0.00E+00
!
C9OOH4-1 + O2 = C9OOH4-1O2 4.52E+12 0
0.00E+00
C9OOH4-2 + O2 = C9OOH4-2O2 7.54E+12 0
0.00E+00
C9OOH4-3 + O2 = C9OOH4-3O2 7.54E+12 0
0.00E+00
C9OOH4-5 + O2 = C9OOH4-5O2 7.54E+12 0
0.00E+00
C9OOH4-6 + O2 = C9OOH4-6O2 7.54E+12 0
0.00E+00
C9OOH4-7 + O2 = C9OOH4-7O2 7.54E+12 0
0.00E+00
C9OOH4-8 + O2 = C9OOH4-8O2 7.54E+12 0
0.00E+00
!
C9OOH5-1 + O2 = C9OOH5-1O2 4.52E+12 0
0.00E+00
C9OOH5-2 + O2 = C9OOH5-2O2 7.54E+12 0
0.00E+00
C9OOH5-3 + O2 = C9OOH5-3O2 7.54E+12 0
0.00E+00
C9OOH5-4 + O2 = C9OOH5-4O2 7.54E+12 0
0.00E+00
!
C8OOH1-2 + O2 = C8OOH1-2O2 7.54E+12 0
0.00E+00
C8OOH1-3 + O2 = C8OOH1-3O2 7.54E+12 0
0.00E+00
C8OOH1-4 + O2 = C8OOH1-4O2 7.54E+12 0
0.00E+00
C8OOH1-5 + O2 = C8OOH1-5O2 7.54E+12 0
0.00E+00
!
C8OOH2-1 + O2 = C8OOH2-1O2 4.52E+12 0
0.00E+00
C8OOH2-3 + O2 = C8OOH2-3O2 7.54E+12 0
0.00E+00
C8OOH2-4 + O2 = C8OOH2-4O2 7.54E+12 0
0.00E+00
C8OOH2-5 + O2 = C8OOH2-5O2 7.54E+12 0
0.00E+00
C8OOH2-6 + O2 = C8OOH2-6O2 7.54E+12 0
0.00E+00
!
C8OOH3-1 + O2 = C8OOH3-1O2 4.52E+12 0
0.00E+00
C8OOH3-2 + O2 = C8OOH3-2O2 7.54E+12 0
0.00E+00
C8OOH3-4 + O2 = C8OOH3-4O2 7.54E+12 0
0.00E+00
C8OOH3-5 + O2 = C8OOH3-5O2 7.54E+12 0
0.00E+00
C8OOH3-6 + O2 = C8OOH3-6O2 7.54E+12 0
0.00E+00
C8OOH3-7 + O2 = C8OOH3-7O2 7.54E+12 0
0.00E+00
!
C8OOH4-1 + O2 = C8OOH4-1O2 4.52E+12 0
0.00E+00
C8OOH4-2 + O2 = C8OOH4-2O2 7.54E+12 0
0.00E+00
C8OOH4-3 + O2 = C8OOH4-3O2 7.54E+12 0
0.00E+00
C8OOH4-5 + O2 = C8OOH4-5O2 7.54E+12 0
0.00E+00
C8OOH4-6 + O2 = C8OOH4-6O2 7.54E+12 0
0.00E+00
C8OOH4-7 + O2 = C8OOH4-7O2 7.54E+12 0
0.00E+00
C8OOH4-8 + O2 = C8OOH4-8O2 4.52E+12 0
0.00E+00
!
!
!
! CLASS 27 PRODUCTION OF KETOHYDROPEROXIDES
!
! ALTERNATIVE PATHWAYS NOT YET INCLUDED
!
!
C12OOH1-2O2 = C12KET1-2 + OH 2.000E+11 0.00 2.600E+04
C12OOH1-3O2 = C12KET1-3 + OH 2.500E+10 0.00 2.100E+04
C12OOH1-4O2 = C12KET1-4 + OH 3.125E+09 0.00 1.895E+04
C12OOH1-5O2 = C12KET1-5 + OH 3.906E+08 0.00 2.215E+04
!
C12OOH2-1O2 = C12KET2-1 + OH 1.000E+11 0.00 2.345E+04
C12OOH2-3O2 = C12KET2-3 + OH 1.000E+11 0.00 2.345E+04
C12OOH2-4O2 = C12KET2-4 + OH 1.250E+10 0.00 1.745E+04
C12OOH2-5O2 = C12KET2-5 + OH 1.563E+09 0.00 1.565E+04
C12OOH2-6O2 = C12KET2-6 + OH 1.953E+08 0.00 1.865E+04
!
C12OOH3-1O2 = C12KET3-1 + OH 1.250E+10 0.00 1.745E+04
C12OOH3-2O2 = C12KET3-2 + OH 1.000E+11 0.00 2.345E+04
C12OOH3-4O2 = C12KET3-4 + OH 1.000E+11 0.00 2.345E+04
C12OOH3-5O2 = C12KET3-5 + OH 1.250E+10 0.00 1.745E+04
C12OOH3-6O2 = C12KET3-6 + OH 1.563E+09 0.00 1.565E+04
C12OOH3-7O2 = C12KET3-7 + OH 1.953E+08 0.00 1.865E+04
!
C12OOH4-1O2 = C12KET4-1 + OH 1.563E+09 0.00 1.565E+04
C12OOH4-2O2 = C12KET4-2 + OH 1.250E+10 0.00 1.745E+04
C12OOH4-3O2 = C12KET4-3 + OH 1.000E+11 0.00 2.345E+04
C12OOH4-5O2 = C12KET4-5 + OH 1.000E+11 0.00 2.345E+04
C12OOH4-6O2 = C12KET4-6 + OH 1.250E+10 0.00 1.745E+04
C12OOH4-7O2 = C12KET4-7 + OH 1.563E+09 0.00 1.565E+04
C12OOH4-8O2 = C12KET4-8 + OH 1.953E+08 0.00 1.865E+04
!
C12OOH5-1O2 = C12KET5-1 + OH 1.953E+08 0.00 1.865E+04
C12OOH5-2O2 = C12KET5-2 + OH 1.563E+09 0.00 1.565E+04
C12OOH5-3O2 = C12KET5-3 + OH 1.250E+10 0.00 1.745E+04
C12OOH5-4O2 = C12KET5-4 + OH 1.000E+11 0.00 2.345E+04
C12OOH5-6O2 = C12KET5-6 + OH 1.000E+11 0.00 2.345E+04
C12OOH5-7O2 = C12KET5-7 + OH 1.250E+10 0.00 1.745E+04
C12OOH5-8O2 = C12KET5-8 + OH 1.563E+09 0.00 1.565E+04
C12OOH5-9O2 = C12KET5-9 + OH 1.953E+08 0.00 1.865E+04
!
C12OOH6-2O2 = C12KET6-2 + OH 1.953E+08 0.00 1.865E+04
C12OOH6-3O2 = C12KET6-3 + OH 1.563E+09 0.00 1.565E+04
C12OOH6-4O2 = C12KET6-4 + OH 1.250E+10 0.00 1.745E+04
C12OOH6-5O2 = C12KET6-5 + OH 1.000E+11 0.00 2.345E+04
C12OOH6-7O2 = C12KET6-7 + OH 1.000E+11 0.00 2.345E+04
C12OOH6-8O2 = C12KET6-8 + OH 1.250E+10 0.00 1.745E+04
C12OOH6-9O2 = C12KET6-9 + OH 1.563E+09 0.00 1.565E+04
C12OOH6-10O2 = C12KET6-10 + OH 1.953E+08 0.00 1.865E+04
!
C11OOH1-2O2 = C11KET1-2 + OH 2.000E+11 0.00 2.600E+04
C11OOH1-3O2 = C11KET1-3 + OH 2.500E+10 0.00 2.100E+04
C11OOH1-4O2 = C11KET1-4 + OH 3.125E+09 0.00 1.895E+04
C11OOH1-5O2 = C11KET1-5 + OH 3.906E+08 0.00 2.215E+04
!
C11OOH2-1O2 = C11KET2-1 + OH 1.000E+11 0.00 2.345E+04
C11OOH2-3O2 = C11KET2-3 + OH 1.000E+11 0.00 2.345E+04
C11OOH2-4O2 = C11KET2-4 + OH 1.250E+10 0.00 1.745E+04
C11OOH2-5O2 = C11KET2-5 + OH 1.563E+09 0.00 1.565E+04
C11OOH2-6O2 = C11KET2-6 + OH 1.953E+08 0.00 1.865E+04
!
C11OOH3-1O2 = C11KET3-1 + OH 1.250E+10 0.00 1.745E+04
C11OOH3-2O2 = C11KET3-2 + OH 1.000E+11 0.00 2.345E+04
C11OOH3-4O2 = C11KET3-4 + OH 1.000E+11 0.00 2.345E+04
C11OOH3-5O2 = C11KET3-5 + OH 1.250E+10 0.00 1.745E+04
C11OOH3-6O2 = C11KET3-6 + OH 1.563E+09 0.00 1.565E+04
C11OOH3-7O2 = C11KET3-7 + OH 1.953E+08 0.00 1.865E+04
!
C11OOH4-1O2 = C11KET4-1 + OH 1.563E+09 0.00 1.565E+04
C11OOH4-2O2 = C11KET4-2 + OH 1.250E+10 0.00 1.745E+04
C11OOH4-3O2 = C11KET4-3 + OH 1.000E+11 0.00 2.345E+04
C11OOH4-5O2 = C11KET4-5 + OH 1.000E+11 0.00 2.345E+04
C11OOH4-6O2 = C11KET4-6 + OH 1.250E+10 0.00 1.745E+04
C11OOH4-7O2 = C11KET4-7 + OH 1.563E+09 0.00 1.565E+04
C11OOH4-8O2 = C11KET4-8 + OH 1.953E+08 0.00 1.865E+04
!
C11OOH5-1O2 = C11KET5-1 + OH 1.953E+08 0.00 1.865E+04
C11OOH5-2O2 = C11KET5-2 + OH 1.563E+09 0.00 1.565E+04
C11OOH5-3O2 = C11KET5-3 + OH 1.250E+10 0.00 1.745E+04
C11OOH5-4O2 = C11KET5-4 + OH 1.000E+11 0.00 2.345E+04
C11OOH5-6O2 = C11KET5-6 + OH 1.000E+11 0.00 2.345E+04
C11OOH5-7O2 = C11KET5-7 + OH 1.250E+10 0.00 1.745E+04
C11OOH5-8O2 = C11KET5-8 + OH 1.563E+09 0.00 1.565E+04
C11OOH5-9O2 = C11KET5-9 + OH 1.953E+08 0.00 1.865E+04
!
C11OOH6-2O2 = C11KET6-2 + OH 1.953E+08 0.00 1.865E+04
C11OOH6-3O2 = C11KET6-3 + OH 1.563E+09 0.00 1.565E+04
C11OOH6-4O2 = C11KET6-4 + OH 1.250E+10 0.00 1.745E+04
C11OOH6-5O2 = C11KET6-5 + OH 1.000E+11 0.00 2.345E+04
!
C10OOH1-2O2 = C10KET1-2 + OH 2.000E+11 0.00 2.600E+04
C10OOH1-3O2 = C10KET1-3 + OH 2.500E+10 0.00 2.100E+04
C10OOH1-4O2 = C10KET1-4 + OH 3.125E+09 0.00 1.895E+04
C10OOH1-5O2 = C10KET1-5 + OH 3.906E+08 0.00 2.215E+04
!
C10OOH2-1O2 = C10KET2-1 + OH 1.000E+11 0.00 2.345E+04
C10OOH2-3O2 = C10KET2-3 + OH 1.000E+11 0.00 2.345E+04
C10OOH2-4O2 = C10KET2-4 + OH 1.250E+10 0.00 1.745E+04
C10OOH2-5O2 = C10KET2-5 + OH 1.563E+09 0.00 1.565E+04
C10OOH2-6O2 = C10KET2-6 + OH 1.953E+08 0.00 1.865E+04
!
C10OOH3-1O2 = C10KET3-1 + OH 1.250E+10 0.00 1.745E+04
C10OOH3-2O2 = C10KET3-2 + OH 1.000E+11 0.00 2.345E+04
C10OOH3-4O2 = C10KET3-4 + OH 1.000E+11 0.00 2.345E+04
C10OOH3-5O2 = C10KET3-5 + OH 1.250E+10 0.00 1.745E+04
C10OOH3-6O2 = C10KET3-6 + OH 1.563E+09 0.00 1.565E+04
C10OOH3-7O2 = C10KET3-7 + OH 1.953E+08 0.00 1.865E+04
!
C10OOH4-1O2 = C10KET4-1 + OH 1.563E+09 0.00 1.565E+04
C10OOH4-2O2 = C10KET4-2 + OH 1.250E+10 0.00 1.745E+04
C10OOH4-3O2 = C10KET4-3 + OH 1.000E+11 0.00 2.345E+04
C10OOH4-5O2 = C10KET4-5 + OH 1.000E+11 0.00 2.345E+04
C10OOH4-6O2 = C10KET4-6 + OH 1.250E+10 0.00 1.745E+04
C10OOH4-7O2 = C10KET4-7 + OH 1.563E+09 0.00 1.565E+04
C10OOH4-8O2 = C10KET4-8 + OH 1.953E+08 0.00 1.865E+04
!
C10OOH5-1O2 = C10KET5-1 + OH 1.953E+08 0.00 1.865E+04
C10OOH5-2O2 = C10KET5-2 + OH 1.563E+09 0.00 1.565E+04
C10OOH5-3O2 = C10KET5-3 + OH 1.250E+10 0.00 1.745E+04
C10OOH5-4O2 = C10KET5-4 + OH 1.000E+11 0.00 2.345E+04
C10OOH5-6O2 = C10KET5-6 + OH 1.000E+11 0.00 2.345E+04
C10OOH5-7O2 = C10KET5-7 + OH 1.250E+10 0.00 1.745E+04
C10OOH5-8O2 = C10KET5-8 + OH 1.563E+09 0.00 1.565E+04
C10OOH5-9O2 = C10KET5-9 + OH 1.953E+08 0.00 1.865E+04
!
C9OOH1-2O2 = C9KET1-2 + OH 2.000E+11 0.00 2.600E+04
C9OOH1-3O2 = C9KET1-3 + OH 2.500E+10 0.00 2.100E+04
C9OOH1-4O2 = C9KET1-4 + OH 3.125E+09 0.00 1.895E+04
C9OOH1-5O2 = C9KET1-5 + OH 3.906E+08 0.00 2.215E+04
!
C9OOH2-1O2 = C9KET2-1 + OH 1.000E+11 0.00 2.345E+04
C9OOH2-3O2 = C9KET2-3 + OH 1.000E+11 0.00 2.345E+04
C9OOH2-4O2 = C9KET2-4 + OH 1.250E+10 0.00 1.745E+04
C9OOH2-5O2 = C9KET2-5 + OH 1.563E+09 0.00 1.565E+04
C9OOH2-6O2 = C9KET2-6 + OH 1.953E+08 0.00 1.865E+04
!
C9OOH3-1O2 = C9KET3-1 + OH 1.250E+10 0.00 1.745E+04
C9OOH3-2O2 = C9KET3-2 + OH 1.000E+11 0.00 2.345E+04
C9OOH3-4O2 = C9KET3-4 + OH 1.000E+11 0.00 2.345E+04
C9OOH3-5O2 = C9KET3-5 + OH 1.250E+10 0.00 1.745E+04
C9OOH3-6O2 = C9KET3-6 + OH 1.563E+09 0.00 1.565E+04
C9OOH3-7O2 = C9KET3-7 + OH 1.953E+08 0.00 1.865E+04
!
C9OOH4-1O2 = C9KET4-1 + OH 1.563E+09 0.00 1.565E+04
C9OOH4-2O2 = C9KET4-2 + OH 1.250E+10 0.00 1.745E+04
C9OOH4-3O2 = C9KET4-3 + OH 1.000E+11 0.00 2.345E+04
C9OOH4-5O2 = C9KET4-5 + OH 1.000E+11 0.00 2.345E+04
C9OOH4-6O2 = C9KET4-6 + OH 1.250E+10 0.00 1.745E+04
C9OOH4-7O2 = C9KET4-7 + OH 1.563E+09 0.00 1.565E+04
C9OOH4-8O2 = C9KET4-8 + OH 1.953E+08 0.00 1.865E+04
!
C9OOH5-1O2 = C9KET5-1 + OH 1.953E+08 0.00 1.865E+04
C9OOH5-2O2 = C9KET5-2 + OH 1.563E+09 0.00 1.565E+04
C9OOH5-3O2 = C9KET5-3 + OH 1.250E+10 0.00 1.745E+04
C9OOH5-4O2 = C9KET5-4 + OH 1.000E+11 0.00 2.345E+04
!
C8OOH1-2O2 = C8KET1-2 + OH 2.000E+11 0.00 2.600E+04
C8OOH1-3O2 = C8KET1-3 + OH 2.500E+10 0.00 2.100E+04
C8OOH1-4O2 = C8KET1-4 + OH 3.125E+09 0.00 1.895E+04
C8OOH1-5O2 = C8KET1-5 + OH 3.906E+08 0.00 2.215E+04
!
C8OOH2-1O2 = C8KET2-1 + OH 1.000E+11 0.00 2.345E+04
C8OOH2-3O2 = C8KET2-3 + OH 1.000E+11 0.00 2.345E+04
C8OOH2-4O2 = C8KET2-4 + OH 1.250E+10 0.00 1.745E+04
C8OOH2-5O2 = C8KET2-5 + OH 1.563E+09 0.00 1.565E+04
C8OOH2-6O2 = C8KET2-6 + OH 1.953E+08 0.00 1.865E+04
!
C8OOH3-1O2 = C8KET3-1 + OH 1.250E+10 0.00 1.745E+04
C8OOH3-2O2 = C8KET3-2 + OH 1.000E+11 0.00 2.345E+04
C8OOH3-4O2 = C8KET3-4 + OH 1.000E+11 0.00 2.345E+04
C8OOH3-5O2 = C8KET3-5 + OH 1.250E+10 0.00 1.745E+04
C8OOH3-6O2 = C8KET3-6 + OH 1.563E+09 0.00 1.565E+04
C8OOH3-7O2 = C8KET3-7 + OH 1.953E+08 0.00 1.865E+04
!
C8OOH4-1O2 = C8KET4-1 + OH 1.563E+09 0.00 1.565E+04
C8OOH4-2O2 = C8KET4-2 + OH 1.250E+10 0.00 1.745E+04
C8OOH4-3O2 = C8KET4-3 + OH 1.000E+11 0.00 2.345E+04
C8OOH4-5O2 = C8KET4-5 + OH 1.000E+11 0.00 2.345E+04
C8OOH4-6O2 = C8KET4-6 + OH 1.250E+10 0.00 1.745E+04
C8OOH4-7O2 = C8KET4-7 + OH 1.563E+09 0.00 1.565E+04
C8OOH4-8O2 = C8KET4-8 + OH 1.953E+08 0.00 1.865E+04
!
!
!
! CLASS 28 KETOHYDROPEROXIDE DECOMP.
!
!
!
C12KET1-2 = OH+HCO+NC10H21CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12KET1-3 = OH+CH2CHO+NC9H19CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12KET1-4 = OH+CH2CH2CHO+NC8H17CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12KET1-5 = OH+C3H6CHO-1+NC7H15CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12KET2-1 = OH+CH2O+NC10H21CO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12KET2-3 = OH+CH3CO+NC9H19CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12KET2-4 = OH+CH3COCH2+NC8H17CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12KET2-5 = OH+CH2CH2COCH3+NC7H15CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12KET2-6 = OH+C3H6COCH3-1+NC6H13CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12KET3-1 = OH+CH2O+C9H19COCH2 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12KET3-2 = OH+CH3CHO+NC9H19CO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12KET3-4 = OH+C2H5CO+NC8H17CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12KET3-5 = OH+C2H5COCH2+NC7H15CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12KET3-6 = OH+C2H5COC2H4P+NC6H13CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12KET3-7 = OH+C3H6COC2H5-1+NC5H11CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12KET4-1 = OH+CH2O+C8COC2H4P 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12KET4-2 = OH+CH3CHO+C8H17COCH2 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12KET4-3 = OH+C2H5CHO+NC8H17CO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12KET4-5 = OH+NC3H7CO+NC7H15CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12KET4-6 = OH+NC3H7COCH2+NC6H13CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12KET4-7 = OH+NC3H7COC2H4P+NC5H11CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12KET4-8 = OH+C3COC3H6P+NC4H9CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12KET5-1 = OH+CH2O+C7COC3H6P 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12KET5-2 = OH+CH3CHO+C7COC2H4P 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12KET5-3 = OH+C2H5CHO+C7H15COCH2 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12KET5-4 = OH+NC3H7CHO+NC7H15CO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12KET5-6 = OH+NC4H9CO+NC6H13CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12KET5-7 = OH+NC4H9COCH2+NC5H11CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12KET5-8 = OH+C4COC2H4P+NC4H9CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12KET5-9 = OH+C4COC3H6P+NC3H7CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12KET6-2 = OH+CH3CHO+C6COC3H6P 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12KET6-3 = OH+C2H5CHO+C6COC2H4P 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12KET6-4 = OH+NC3H7CHO+C6H13COCH2 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12KET6-5 = OH+NC4H9CHO+NC6H13CO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12KET6-7 = OH+NC5H11CO+NC5H11CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12KET6-8 = OH+C5H11COCH2+NC4H9CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12KET6-9 = OH+C5COC2H4P+NC3H7CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C12KET6-10 = OH+C5COC3H6P+C2H5CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
!
C11KET1-2 = OH+HCO+NC9H19CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11KET1-3 = OH+CH2CHO+NC8H17CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11KET1-4 = OH+CH2CH2CHO+NC7H15CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11KET1-5 = OH+C3H6CHO-1+NC6H13CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11KET2-1 = OH+CH2O+NC9H19CO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11KET2-3 = OH+CH3CO+NC8H17CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11KET2-4 = OH+CH3COCH2+NC7H15CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11KET2-5 = OH+CH2CH2COCH3+NC6H13CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11KET2-6 = OH+C3H6COCH3-1+NC5H11CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11KET3-1 = OH+CH2O+C8H17COCH2 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11KET3-2 = OH+CH3CHO+NC8H17CO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11KET3-4 = OH+C2H5CO+NC7H15CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11KET3-5 = OH+C2H5COCH2+NC6H13CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11KET3-6 = OH+C2H5COC2H4P+NC5H11CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11KET3-7 = OH+C3H6COC2H5-1+NC4H9CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11KET4-1 = OH+CH2O+C7COC2H4P 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11KET4-2 = OH+CH3CHO+C7H15COCH2 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11KET4-3 = OH+C2H5CHO+NC7H15CO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11KET4-5 = OH+NC3H7CO+NC6H13CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11KET4-6 = OH+NC3H7COCH2+NC5H11CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11KET4-7 = OH+NC3H7COC2H4P+NC4H9CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11KET4-8 = OH+C3COC3H6P+NC3H7CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11KET5-1 = OH+CH2O+C6COC3H6P 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11KET5-2 = OH+CH3CHO+C6COC2H4P 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11KET5-3 = OH+C2H5CHO+C6H13COCH2 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11KET5-4 = OH+NC3H7CHO+NC6H13CO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11KET5-6 = OH+NC4H9CO+NC5H11CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11KET5-7 = OH+NC4H9COCH2+NC4H9CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11KET5-8 = OH+C4COC2H4P+NC3H7CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11KET5-9 = OH+C4COC3H6P+C2H5CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11KET6-2 = OH+CH3CHO+C5COC3H6P 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11KET6-3 = OH+C2H5CHO+C5COC2H4P 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11KET6-4 = OH+NC3H7CHO+C5H11COCH2 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C11KET6-5 = OH+NC4H9CHO+NC5H11CO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
!
C10KET1-2 = OH+HCO+NC8H17CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10KET1-3 = OH+CH2CHO+NC7H15CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10KET1-4 = OH+CH2CH2CHO+NC6H13CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10KET1-5 = OH+C3H6CHO-1+NC5H11CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10KET2-1 = OH+CH2O+NC8H17CO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10KET2-3 = OH+CH3CO+NC7H15CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10KET2-4 = OH+CH3COCH2+NC6H13CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10KET2-5 = OH+CH2CH2COCH3+NC5H11CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10KET2-6 = OH+C3H6COCH3-1+NC4H9CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10KET3-1 = OH+CH2O+C7H15COCH2 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10KET3-2 = OH+CH3CHO+NC7H15CO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10KET3-4 = OH+C2H5CO+NC6H13CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10KET3-5 = OH+C2H5COCH2+NC5H11CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10KET3-6 = OH+C2H5COC2H4P+NC4H9CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10KET3-7 = OH+C3H6COC2H5-1+NC3H7CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10KET4-1 = OH+CH2O+C6COC2H4P 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10KET4-2 = OH+CH3CHO+C6H13COCH2 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10KET4-3 = OH+C2H5CHO+NC6H13CO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10KET4-5 = OH+NC3H7CO+NC5H11CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10KET4-6 = OH+NC3H7COCH2+NC4H9CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10KET4-7 = OH+NC3H7COC2H4P+NC3H7CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10KET4-8 = OH+C3COC3H6P+C2H5CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10KET5-1 = OH+CH2O+C5COC3H6P 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10KET5-2 = OH+CH3CHO+C5COC2H4P 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10KET5-3 = OH+C2H5CHO+C5H11COCH2 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10KET5-4 = OH+NC3H7CHO+NC5H11CO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10KET5-6 = OH+NC4H9CO+NC4H9CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10KET5-7 = OH+NC4H9COCH2+NC3H7CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10KET5-8 = OH+C4COC2H4P+C2H5CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C10KET5-9 = OH+C4COC3H6P+CH3CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
!
C9KET1-2 = OH+HCO+NC7H15CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9KET1-3 = OH+CH2CHO+NC6H13CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9KET1-4 = OH+CH2CH2CHO+NC5H11CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9KET1-5 = OH+C3H6CHO-1+NC4H9CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9KET2-1 = OH+CH2O+NC7H15CO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9KET2-3 = OH+CH3CO+NC6H13CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9KET2-4 = OH+CH3COCH2+NC5H11CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9KET2-5 = OH+CH2CH2COCH3+NC4H9CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9KET2-6 = OH+C3H6COCH3-1+NC3H7CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9KET3-1 = OH+CH2O+C6H13COCH2 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9KET3-2 = OH+CH3CHO+NC6H13CO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9KET3-4 = OH+C2H5CO+NC5H11CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9KET3-5 = OH+C2H5COCH2+NC4H9CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9KET3-6 = OH+C2H5COC2H4P+NC3H7CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9KET3-7 = OH+C3H6COC2H5-1+C2H5CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9KET4-1 = OH+CH2O+C5COC2H4P 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9KET4-2 = OH+CH3CHO+C5H11COCH2 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9KET4-3 = OH+C2H5CHO+NC5H11CO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9KET4-5 = OH+NC3H7CO+NC4H9CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9KET4-6 = OH+NC3H7COCH2+NC3H7CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9KET4-7 = OH+NC3H7COC2H4P+C2H5CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9KET4-8 = OH+C3COC3H6P+CH3CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9KET5-1 = OH+CH2O+C4COC3H6P 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9KET5-2 = OH+CH3CHO+C4COC2H4P 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9KET5-3 = OH+C2H5CHO+NC4H9COCH2 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C9KET5-4 = OH+NC3H7CHO+NC4H9CO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
!
C8KET1-2 = OH+HCO+NC6H13CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C8KET1-3 = OH+CH2CHO+NC5H11CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C8KET1-4 = OH+CH2CH2CHO+NC4H9CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C8KET1-5 = OH+C3H6CHO-1+NC3H7CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C8KET2-1 = OH+CH2O+NC6H13CO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C8KET2-3 = OH+CH3CO+NC5H11CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C8KET2-4 = OH+CH3COCH2+NC4H9CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C8KET2-5 = OH+CH2CH2COCH3+NC3H7CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C8KET2-6 = OH+C3H6COCH3-1+C2H5CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C8KET3-1 = OH+CH2O+C5H11COCH2 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C8KET3-2 = OH+CH3CHO+NC5H11CO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C8KET3-4 = OH+C2H5CO+NC4H9CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C8KET3-5 = OH+C2H5COCH2+NC3H7CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C8KET3-6 = OH+C2H5COC2H4P+C2H5CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C8KET3-7 = OH+C3H6COC2H5-1+CH3CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C8KET4-1 = OH+CH2O+C4COC2H4P 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C8KET4-2 = OH+CH3CHO+NC4H9COCH2 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C8KET4-3 = OH+C2H5CHO+NC4H9CO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C8KET4-5 = OH+NC3H7CO+NC3H7CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C8KET4-6 = OH+NC3H7COCH2+C2H5CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C8KET4-7 = OH+NC3H7COC2H4P+CH3CHO 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
C8KET4-8 = OH+C3COC3H6P+CH2O 1.000E+16 0.00 3.900E+04
REV / 0.000E+00 0.00 0.000E+00 /
!
!
!
!
! CLASS 29 REACTIONS OF CYCLIC ETHERS
!
C12O1-2 + OH = C2H3CHO+C9H19-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C12O1-2 + OH = CH2CO+C10H21-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C12O1-3 + OH = C11H22-1+HCO+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C12O1-3 + OH = C2H4+NC9H19CO+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C12O1-4 + OH = CH2CHO+C10H20-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C12O1-4 + OH = C2H4+C8H17COCH2+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C12O1-5 + OH = CH2CH2CHO+C9H18-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C12O1-5 + OH = C2H4+C7COC2H4P+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C12O2-3 + OH = C2H3COCH3+C8H17-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C12O2-3 + OH = CH3CHCO+C9H19-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C12O2-4 + OH = CH3CO+C10H20-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C12O2-4 + OH = C3H6+NC8H17CO+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C12O2-5 + OH = CH3COCH2+C9H18-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C12O2-5 + OH = C3H6+C7H15COCH2+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C12O2-6 + OH = CH2CH2COCH3+C8H16-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C12O2-6 + OH = C3H6+C6COC2H4P+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C12O3-4 + OH = C2H5COC2H3+C7H15-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C12O3-4 + OH = C2H5CHCO+C8H17-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C12O3-5 + OH = C2H5CO+C9H18-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C12O3-5 + OH = C4H8-1+NC7H15CO+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C12O3-6 + OH = C2H5COCH2+C8H16-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C12O3-6 + OH = C4H8-1+C6H13COCH2+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C12O3-7 + OH = C2H5COC2H4P+C7H14-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C12O3-7 + OH = C4H8-1+C5COC2H4P+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C12O4-5 + OH = NC3H7COC2H3+C6H13-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C12O4-5 + OH = NC3H7CHCO+C7H15-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C12O4-6 + OH = NC3H7CO+C8H16-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C12O4-6 + OH = C5H10-1+NC6H13CO+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C12O4-7 + OH = NC3H7COCH2+C7H14-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C12O4-7 + OH = C5H10-1+C5H11COCH2+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C12O4-8 + OH = NC3H7COC2H4P+C6H12-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C12O4-8 + OH = C5H10-1+C4COC2H4P+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C12O5-6 + OH = NC4H9COC2H3+C5H11-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C12O5-6 + OH = NC4H9CHCO+C6H13-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C12O5-7 + OH = NC4H9CO+C7H14-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C12O5-7 + OH = C6H12-1+NC5H11CO+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C12O5-8 + OH = NC4H9COCH2+C6H12-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C12O6-7 + OH = C5H11COC2H3+PC4H9+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C12O6-7 + OH = C5H11CHCO+C5H11-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
!
C12O1-2+HO2 = C2H3CHO+C9H19-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C12O1-2+HO2 = CH2CO+C10H21-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C12O1-3+HO2 = C11H22-1+HCO+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C12O1-3+HO2 = C2H4+NC9H19CO+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C12O1-4+HO2 = CH2CHO+C10H20-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C12O1-4+HO2 = C2H4+C8H17COCH2+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C12O1-5+HO2 = CH2CH2CHO+C9H18-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C12O1-5+HO2 = C2H4+C7COC2H4P+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C12O2-3+HO2 = C2H3COCH3+C8H17-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C12O2-3+HO2 = CH3CHCO+C9H19-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C12O2-4+HO2 = CH3CO+C10H20-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C12O2-4+HO2 = C3H6+NC8H17CO+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C12O2-5+HO2 = CH3COCH2+C9H18-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C12O2-5+HO2 = C3H6+C7H15COCH2+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C12O2-6+HO2 = CH2CH2COCH3+C8H16-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C12O2-6+HO2 = C3H6+C6COC2H4P+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C12O3-4+HO2 = C2H5COC2H3+C7H15-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C12O3-4+HO2 = C2H5CHCO+C8H17-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C12O3-5+HO2 = C2H5CO+C9H18-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C12O3-5+HO2 = C4H8-1+NC7H15CO+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C12O3-6+HO2 = C2H5COCH2+C8H16-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C12O3-6+HO2 = C4H8-1+C6H13COCH2+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C12O3-7+HO2 = C2H5COC2H4P+C7H14-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C12O3-7+HO2 = C4H8-1+C5COC2H4P+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C12O4-5+HO2 = NC3H7COC2H3+C6H13-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C12O4-5+HO2 = NC3H7CHCO+C7H15-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C12O4-6+HO2 = NC3H7CO+C8H16-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C12O4-6+HO2 = C5H10-1+NC6H13CO+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C12O4-7+HO2 = NC3H7COCH2+C7H14-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C12O4-7+HO2 = C5H10-1+C5H11COCH2+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C12O4-8+HO2 = NC3H7COC2H4P+C6H12-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C12O4-8+HO2 = C5H10-1+C4COC2H4P+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C12O5-6+HO2 = NC4H9COC2H3+C5H11-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C12O5-6+HO2 = NC4H9CHCO+C6H13-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C12O5-7+HO2 = NC4H9CO+C7H14-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C12O5-7+HO2 = C6H12-1+NC5H11CO+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C12O5-8+HO2 = NC4H9COCH2+C6H12-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C12O6-7+HO2 = C5H11COC2H3+PC4H9+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C12O6-7+HO2 = C5H11CHCO+C5H11-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
!
C11O1-2 + OH = C2H3CHO+C8H17-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C11O1-2 + OH = CH2CO+C9H19-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C11O1-3 + OH = C10H20-1+HCO+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C11O1-3 + OH = C2H4+NC8H17CO+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C11O1-4 + OH = CH2CHO+C9H18-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C11O1-4 + OH = C2H4+C7H15COCH2+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C11O1-5 + OH = CH2CH2CHO+C8H16-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C11O1-5 + OH = C2H4+C6COC2H4P+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C11O2-3 + OH = C2H3COCH3+C7H15-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C11O2-3 + OH = CH3CHCO+C8H17-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C11O2-4 + OH = CH3CO+C9H18-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C11O2-4 + OH = C3H6+NC7H15CO+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C11O2-5 + OH = CH3COCH2+C8H16-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C11O2-5 + OH = C3H6+C6H13COCH2+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C11O2-6 + OH = CH2CH2COCH3+C7H14-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C11O2-6 + OH = C3H6+C5COC2H4P+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C11O3-4 + OH = C2H5COC2H3+C6H13-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C11O3-4 + OH = C2H5CHCO+C7H15-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C11O3-5 + OH = C2H5CO+C8H16-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C11O3-5 + OH = C4H8-1+NC6H13CO+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C11O3-6 + OH = C2H5COCH2+C7H14-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C11O3-6 + OH = C4H8-1+C5H11COCH2+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C11O3-7 + OH = C2H5COC2H4P+C6H12-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C11O3-7 + OH = C4H8-1+C4COC2H4P+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C11O4-5 + OH = NC3H7COC2H3+C5H11-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C11O4-5 + OH = NC3H7CHCO+C6H13-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C11O4-6 + OH = NC3H7CO+C7H14-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C11O4-6 + OH = C5H10-1+NC5H11CO+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C11O4-7 + OH = NC3H7COCH2+C6H12-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C11O4-7 + OH = C5H10-1+NC4H9COCH2+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C11O4-8 + OH = NC3H7COC2H4P+C5H10-1+H2O 5.00E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
!C11O4-8 + OH = C5H10-1+NC3H7COC2H4P+H2O 2.50E+12 0.00 0.00
! REV / 0.00 0.00 0.00 /
C11O5-6 + OH = NC4H9COC2H3+PC4H9+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C11O5-6 + OH = NC4H9CHCO+C5H11-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C11O5-7 + OH = NC4H9CO+C6H12-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
!
C11O1-2+HO2 = C2H3CHO+C8H17-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C11O1-2+HO2 = CH2CO+C9H19-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C11O1-3+HO2 = C10H20-1+HCO+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C11O1-3+HO2 = C2H4+NC8H17CO+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C11O1-4+HO2 = CH2CHO+C9H18-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C11O1-4+HO2 = C2H4+C7H15COCH2+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C11O1-5+HO2 = CH2CH2CHO+C8H16-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C11O1-5+HO2 = C2H4+C6COC2H4P+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C11O2-3+HO2 = C2H3COCH3+C7H15-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C11O2-3+HO2 = CH3CHCO+C8H17-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C11O2-4+HO2 = CH3CO+C9H18-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C11O2-4+HO2 = C3H6+NC7H15CO+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C11O2-5+HO2 = CH3COCH2+C8H16-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C11O2-5+HO2 = C3H6+C6H13COCH2+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C11O2-6+HO2 = CH2CH2COCH3+C7H14-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C11O2-6+HO2 = C3H6+C5COC2H4P+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C11O3-4+HO2 = C2H5COC2H3+C6H13-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C11O3-4+HO2 = C2H5CHCO+C7H15-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C11O3-5+HO2 = C2H5CO+C8H16-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C11O3-5+HO2 = C4H8-1+NC6H13CO+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C11O3-6+HO2 = C2H5COCH2+C7H14-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C11O3-6+HO2 = C4H8-1+C5H11COCH2+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C11O3-7+HO2 = C2H5COC2H4P+C6H12-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C11O3-7+HO2 = C4H8-1+C4COC2H4P+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C11O4-5+HO2 = NC3H7COC2H3+C5H11-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C11O4-5+HO2 = NC3H7CHCO+C6H13-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C11O4-6+HO2 = NC3H7CO+C7H14-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C11O4-6+HO2 = C5H10-1+NC5H11CO+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C11O4-7+HO2 = NC3H7COCH2+C6H12-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C11O4-7+HO2 = C5H10-1+NC4H9COCH2+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C11O4-8+HO2 = NC3H7COC2H4P+C5H10-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
!C11O4-8+HO2 = C5H10-1+NC3H7COC2H4P+H2O2 5.000E+12 0.00 1.770E+04
! REV / 0.00 0.00 0.00 /
C11O5-6+HO2 = NC4H9COC2H3+PC4H9+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C11O5-6+HO2 = NC4H9CHCO+C5H11-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C11O5-7+HO2 = NC4H9CO+C6H12-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
!
C10O1-2 + OH = C2H3CHO+C7H15-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C10O1-2 + OH = CH2CO+C8H17-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C10O1-3 + OH = C9H18-1+HCO+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C10O1-3 + OH = C2H4+NC7H15CO+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C10O1-4 + OH = CH2CHO+C8H16-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C10O1-4 + OH = C2H4+C6H13COCH2+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C10O1-5 + OH = CH2CH2CHO+C7H14-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C10O1-5 + OH = C2H4+C5COC2H4P+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C10O2-3 + OH = C2H3COCH3+C6H13-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C10O2-3 + OH = CH3CHCO+C7H15-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C10O2-4 + OH = CH3CO+C8H16-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C10O2-4 + OH = C3H6+NC6H13CO+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C10O2-5 + OH = CH3COCH2+C7H14-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C10O2-5 + OH = C3H6+C5H11COCH2+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C10O2-6 + OH = CH2CH2COCH3+C6H12-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C10O2-6 + OH = C3H6+C4COC2H4P+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C10O3-4 + OH = C2H5COC2H3+C5H11-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C10O3-4 + OH = C2H5CHCO+C6H13-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C10O3-5 + OH = C2H5CO+C7H14-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C10O3-5 + OH = C4H8-1+NC5H11CO+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C10O3-6 + OH = C2H5COCH2+C6H12-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C10O3-6 + OH = C4H8-1+NC4H9COCH2+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C10O3-7 + OH = C2H5COC2H4P+C5H10-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C10O3-7 + OH = C4H8-1+NC3H7COC2H4P+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C10O4-5 + OH = NC3H7COC2H3+PC4H9+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C10O4-5 + OH = NC3H7CHCO+C5H11-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C10O4-6 + OH = NC3H7CO+C6H12-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C10O4-6 + OH = C5H10-1+NC4H9CO+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C10O4-7 + OH = NC3H7COCH2+C5H10-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C10O5-6 + OH = NC4H9COC2H3+NC3H7+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C10O5-6 + OH = NC4H9CHCO+PC4H9+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
!
C10O1-2+HO2 = C2H3CHO+C7H15-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C10O1-2+HO2 = CH2CO+C8H17-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C10O1-3+HO2 = C9H18-1+HCO+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C10O1-3+HO2 = C2H4+NC7H15CO+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C10O1-4+HO2 = CH2CHO+C8H16-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C10O1-4+HO2 = C2H4+C6H13COCH2+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C10O1-5+HO2 = CH2CH2CHO+C7H14-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C10O1-5+HO2 = C2H4+C5COC2H4P+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C10O2-3+HO2 = C2H3COCH3+C6H13-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C10O2-3+HO2 = CH3CHCO+C7H15-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C10O2-4+HO2 = CH3CO+C8H16-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C10O2-4+HO2 = C3H6+NC6H13CO+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C10O2-5+HO2 = CH3COCH2+C7H14-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C10O2-5+HO2 = C3H6+C5H11COCH2+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C10O2-6+HO2 = CH2CH2COCH3+C6H12-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C10O2-6+HO2 = C3H6+C4COC2H4P+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C10O3-4+HO2 = C2H5COC2H3+C5H11-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C10O3-4+HO2 = C2H5CHCO+C6H13-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C10O3-5+HO2 = C2H5CO+C7H14-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C10O3-5+HO2 = C4H8-1+NC5H11CO+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C10O3-6+HO2 = C2H5COCH2+C6H12-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C10O3-6+HO2 = C4H8-1+NC4H9COCH2+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C10O3-7+HO2 = C2H5COC2H4P+C5H10-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C10O3-7+HO2 = C4H8-1+NC3H7COC2H4P+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C10O4-5+HO2 = NC3H7COC2H3+PC4H9+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C10O4-5+HO2 = NC3H7CHCO+C5H11-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C10O4-6+HO2 = NC3H7CO+C6H12-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C10O4-6+HO2 = C5H10-1+NC4H9CO+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C10O4-7+HO2 = NC3H7COCH2+C5H10-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C10O5-6+HO2 = NC4H9COC2H3+NC3H7+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C10O5-6+HO2 = NC4H9CHCO+PC4H9+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
!
C9O1-2 + OH = C2H3CHO+C6H13-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C9O1-2 + OH = CH2CO+C7H15-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C9O1-3 + OH = C8H16-1+HCO+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C9O1-3 + OH = C2H4+NC6H13CO+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C9O1-4 + OH = CH2CHO+C7H14-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C9O1-4 + OH = C2H4+C5H11COCH2+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C9O1-5 + OH = CH2CH2CHO+C6H12-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C9O1-5 + OH = C2H4+C4COC2H4P+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C9O2-3 + OH = C2H3COCH3+C5H11-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C9O2-3 + OH = CH3CHCO+C6H13-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C9O2-4 + OH = CH3CO+C7H14-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C9O2-4 + OH = C3H6+NC5H11CO+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C9O2-5 + OH = CH3COCH2+C6H12-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C9O2-5 + OH = C3H6+NC4H9COCH2+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C9O2-6 + OH = CH2CH2COCH3+C5H10-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C9O2-6 + OH = C3H6+NC3H7COC2H4P+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C9O3-4 + OH = C2H5COC2H3+PC4H9+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C9O3-4 + OH = C2H5CHCO+C5H11-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C9O3-5 + OH = C2H5CO+C6H12-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C9O3-5 + OH = C4H8-1+NC4H9CO+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C9O3-6 + OH = C2H5COCH2+C5H10-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C9O3-6 + OH = C4H8-1+NC3H7COCH2+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C9O3-7 + OH = C2H5COC2H4P+C4H8-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C9O4-5 + OH = NC3H7COC2H3+NC3H7+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C9O4-5 + OH = NC3H7CHCO+PC4H9+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C9O4-6 + OH = NC3H7CO+C5H10-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
!
C9O1-2+HO2 = C2H3CHO+C6H13-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C9O1-2+HO2 = CH2CO+C7H15-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C9O1-3+HO2 = C8H16-1+HCO+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C9O1-3+HO2 = C2H4+NC6H13CO+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C9O1-4+HO2 = CH2CHO+C7H14-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C9O1-4+HO2 = C2H4+C5H11COCH2+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C9O1-5+HO2 = CH2CH2CHO+C6H12-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C9O1-5+HO2 = C2H4+C4COC2H4P+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C9O2-3+HO2 = C2H3COCH3+C5H11-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C9O2-3+HO2 = CH3CHCO+C6H13-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C9O2-4+HO2 = CH3CO+C7H14-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C9O2-4+HO2 = C3H6+NC5H11CO+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C9O2-5+HO2 = CH3COCH2+C6H12-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C9O2-5+HO2 = C3H6+NC4H9COCH2+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C9O2-6+HO2 = CH2CH2COCH3+C5H10-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C9O2-6+HO2 = C3H6+NC3H7COC2H4P+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C9O3-4+HO2 = C2H5COC2H3+PC4H9+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C9O3-4+HO2 = C2H5CHCO+C5H11-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C9O3-5+HO2 = C2H5CO+C6H12-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C9O3-5+HO2 = C4H8-1+NC4H9CO+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C9O3-6+HO2 = C2H5COCH2+C5H10-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C9O3-6+HO2 = C4H8-1+NC3H7COCH2+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C9O3-7+HO2 = C2H5COC2H4P+C4H8-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C9O4-5+HO2 = NC3H7COC2H3+NC3H7+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C9O4-5+HO2 = NC3H7CHCO+PC4H9+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C9O4-6+HO2 = NC3H7CO+C5H10-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
!
C8O1-2 + OH = C2H3CHO+C5H11-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C8O1-2 + OH = CH2CO+C6H13-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C8O1-3 + OH = C7H14-1+HCO+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C8O1-3 + OH = C2H4+NC5H11CO+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C8O1-4 + OH = CH2CHO+C6H12-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C8O1-4 + OH = C2H4+NC4H9COCH2+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C8O1-5 + OH = CH2CH2CHO+C5H10-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C8O1-5 + OH = C2H4+NC3H7COC2H4P+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C8O2-3 + OH = C2H3COCH3+PC4H9+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C8O2-3 + OH = CH3CHCO+C5H11-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C8O2-4 + OH = CH3CO+C6H12-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C8O2-4 + OH = C3H6+NC4H9CO+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C8O2-5 + OH = CH3COCH2+C5H10-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C8O2-5 + OH = C3H6+NC3H7COCH2+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C8O2-6 + OH = CH2CH2COCH3+C4H8-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C8O2-6 + OH = C3H6+C2H5COC2H4P+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C8O3-4 + OH = C2H5COC2H3+NC3H7+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C8O3-4 + OH = C2H5CHCO+PC4H9+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C8O3-5 + OH = C2H5CO+C5H10-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C8O3-5 + OH = C4H8-1+NC3H7CO+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C8O3-6 + OH = C2H5COCH2+C4H8-1+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C8O4-5 + OH = NC3H7COC2H3+C2H5+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
C8O4-5 + OH = NC3H7CHCO+NC3H7+H2O 2.50E+12 0.00 0.00
REV / 0.00 0.00 0.00 /
!
C8O1-2+HO2 = C2H3CHO+C5H11-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C8O1-2+HO2 = CH2CO+C6H13-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C8O1-3+HO2 = C7H14-1+HCO+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C8O1-3+HO2 = C2H4+NC5H11CO+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C8O1-4+HO2 = CH2CHO+C6H12-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C8O1-4+HO2 = C2H4+NC4H9COCH2+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C8O1-5+HO2 = CH2CH2CHO+C5H10-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C8O1-5+HO2 = C2H4+NC3H7COC2H4P+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C8O2-3+HO2 = C2H3COCH3+PC4H9+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C8O2-3+HO2 = CH3CHCO+C5H11-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C8O2-4+HO2 = CH3CO+C6H12-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C8O2-4+HO2 = C3H6+NC4H9CO+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C8O2-5+HO2 = CH3COCH2+C5H10-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C8O2-5+HO2 = C3H6+NC3H7COCH2+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C8O2-6+HO2 = CH2CH2COCH3+C4H8-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C8O2-6+HO2 = C3H6+C2H5COC2H4P+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C8O3-4+HO2 = C2H5COC2H3+NC3H7+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C8O3-4+HO2 = C2H5CHCO+PC4H9+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C8O3-5+HO2 = C2H5CO+C5H10-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C8O3-5+HO2 = C4H8-1+NC3H7CO+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C8O3-6+HO2 = C2H5COCH2+C4H8-1+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C8O4-5+HO2 = NC3H7COC2H3+C2H5+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
C8O4-5+HO2 = NC3H7CHCO+NC3H7+H2O2 5.000E+12 0.00 1.770E+04
REV / 0.00 0.00 0.00 /
!
!
!
! CLASS 30 MISCELLANEOUS REACTIONS
!
! LARGE ALDEHYDES
! SIMPLIFIED CONSUMPTION MECHANISMS FOR ALDEHYDES LARGER THAN NC5
!
!
!
C5H11COC2H3+H = H2+C5H10-1+C2H3CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
C5H11COC2H3 + OH = H2O+C5H10-1+C2H3CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
C5H11COC2H3+O = OH+C5H10-1+C2H3CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
C5H11COC2H3+HO2 = H2O2+C5H10-1+C2H3CO 5.000E+12 0.00 15000.
REV / 0.00 0.00 0.00 /
C5H11COC2H3+H = H2+NC4H9CHCO+C2H3 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
C5H11COC2H3 + OH = H2O+NC4H9CHCO+C2H3 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
C5H11COC2H3+O = OH+NC4H9CHCO+C2H3 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
C5H11COC2H3+HO2 = H2O2+NC4H9CHCO+C2H3 5.000E+12 0.00 15000.
REV / 0.00 0.00 0.00 /
!
C6H13COC2H3+H = H2+C6H12-1+C2H3CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
C6H13COC2H3 + OH = H2O+C6H12-1+C2H3CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
C6H13COC2H3+O = OH+C6H12-1+C2H3CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
C6H13COC2H3+HO2 = H2O2+C6H12-1+C2H3CO 5.000E+12 0.00 15000.
REV / 0.00 0.00 0.00 /
C6H13COC2H3+H = H2+C5H11CHCO+C2H3 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
C6H13COC2H3 + OH = H2O+C5H11CHCO+C2H3 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
C6H13COC2H3+O = OH+C5H11CHCO+C2H3 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
C6H13COC2H3+HO2 = H2O2+C5H11CHCO+C2H3 5.000E+12 0.00 15000.
REV / 0.00 0.00 0.00 /
!
C5H11CHCO+H = H2+C5H10-1+HCCO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
C5H11CHCO+O = OH+C5H10-1+HCCO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
C5H11CHCO + OH = H2O+C5H10-1+HCCO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
C5H11CHCO+HO2 = H2O2+C5H10-1+HCCO 5.000E+12 0.00 15000.
REV / 0.00 0.00 0.00 /
C5H11CHCO+H = C6H13-1+CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
C5H11CHCO+O = C6H12-1+CO2 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
C5H11CHCO + OH = C6H13-1+CO2 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
!
C6H13CHCO+H = H2+C6H12-1+HCCO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
C6H13CHCO+O = OH+C6H12-1+HCCO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
C6H13CHCO + OH = H2O+C6H12-1+HCCO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
C6H13CHCO+HO2 = H2O2+C6H12-1+HCCO 5.000E+12 0.00 15000.
REV / 0.00 0.00 0.00 /
C6H13CHCO+H = C7H15-1+CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
C6H13CHCO+O = C7H14-1+CO2 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
C6H13CHCO + OH = C7H15-1+CO2 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
!
C7H15CHCO+H = H2+C7H14-1+HCCO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
C7H15CHCO+O = OH+C7H14-1+HCCO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
C7H15CHCO + OH = H2O+C7H14-1+HCCO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
C7H15CHCO+HO2 = H2O2+C7H14-1+HCCO 5.000E+12 0.00 15000.
REV / 0.00 0.00 0.00 /
C7H15CHCO+H = C8H17-1+CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
C7H15CHCO+O = C8H16-1+CO2 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
C7H15CHCO + OH = C8H17-1+CO2 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
!
! DECOMPOSITION OF LARGE RADICALS
!
C12H25COCH2 = C12H25-1+CH2CO 2.000E+13 0.00 31000.
REV / 2.000E+11 0.00 7350. /
C11H23COCH2 = C11H23-1+CH2CO 2.000E+13 0.00 31000.
REV / 2.000E+11 0.00 7350. /
C10H21COCH2 = C10H21-1+CH2CO 2.000E+13 0.00 31000.
REV / 2.000E+11 0.00 7350. /
C9H19COCH2 = C9H19-1+CH2CO 2.000E+13 0.00 31000.
REV / 2.000E+11 0.00 7350. /
C8H17COCH2 = C8H17-1+CH2CO 2.000E+13 0.00 31000.
REV / 2.000E+11 0.00 7350. /
C7H15COCH2 = C7H15-1+CH2CO 2.000E+13 0.00 31000.
REV / 2.000E+11 0.00 7350. /
C6H13COCH2 = C6H13-1+CH2CO 2.000E+13 0.00 31000.
REV / 2.000E+11 0.00 7350. /
C5H11COCH2 = C5H11-1+CH2CO 2.000E+13 0.00 31000.
REV / 2.000E+11 0.00 7350. /
!
C12COC2H4P = NC12H25CO+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
C11COC2H4P = NC11H23CO+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
C10COC2H4P = NC10H21CO+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
C9COC2H4P = NC9H19CO+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
C8COC2H4P = NC8H17CO+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
C7COC2H4P = NC7H15CO+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
C6COC2H4P = NC6H13CO+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
C5COC2H4P = NC5H11CO+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
C4COC2H4P = NC4H9CO+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
!
C11COC3H6P = C11H23COCH2+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
C10COC3H6P = C10H21COCH2+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
C9COC3H6P = C9H19COCH2+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
C8COC3H6P = C8H17COCH2+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
C7COC3H6P = C7H15COCH2+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
C6COC3H6P = C6H13COCH2+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
C5COC3H6P = C5H11COCH2+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
C4COC3H6P = NC4H9COCH2+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
C3COC3H6P = NC3H7COCH2+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
!
!
!
!
!!!!!!!!!!C8-C20 2-METHYLALKANE MECHANISM WITH LOW TEMPERATURE AND HIGH TEMP
CHEMISTRY!!!!!!!!!
!
!
!
!
!
! 2-METHYLHEXANE
!
!
!
!
!
!
!
!
!
! CLASS 1 UNIMOLECULAR FUEL DECOMPOSITION
!
C7H15-2A + H = C7H16-2 1.000E+14 0.00 0.000
C7H15-2B + H = C7H16-2 1.000E+14 0.00 0.000
C7H15-2C + H = C7H16-2 1.000E+14 0.00 0.000
C7H15-2D + H = C7H16-2 1.000E+14 0.00 0.000
C7H15-2E + H = C7H16-2 1.000E+14 0.00 0.000
C7H15-2F + H = C7H16-2 1.000E+14 0.00 0.000
!
CH3 + C6H13-2 = C7H16-2 1.000E+13 0.00 0.000
IC3H7 + PC4H9 = C7H16-2 8.000E+12 0.00 0.000
IC4H9 + NC3H7 = C7H16-2 8.000E+12 0.00 0.000
DC5H11 + C2H5 = C7H16-2 8.000E+12 0.00 0.000
EC6H13 + CH3 = C7H16-2 1.000E+13 0.00 0.000
!
!
!
! 2-METHYLHEPTANE
!
!
!
!
!
!
!
!
!
! CLASS 1 UNIMOLECULAR FUEL DECOMPOSITION
!
C8H17-2A + H = C8H18-2 1.000E+14 0.00 0.000
C8H17-2B + H = C8H18-2 1.000E+14 0.00 0.000
C8H17-2C + H = C8H18-2 1.000E+14 0.00 0.000
C8H17-2D + H = C8H18-2 1.000E+14 0.00 0.000
C8H17-2E + H = C8H18-2 1.000E+14 0.00 0.000
C8H17-2F + H = C8H18-2 1.000E+14 0.00 0.000
C8H17-2G + H = C8H18-2 1.000E+14 0.00 0.000
!
CH3 + C7H15-2 = C8H18-2 1.000E+13 0.00 0.000
IC3H7 + C5H11-1 = C8H18-2 8.000E+12 0.00 0.000
IC4H9 + PC4H9 = C8H18-2 8.000E+12 0.00 0.000
DC5H11 + NC3H7 = C8H18-2 8.000E+12 0.00 0.000
EC6H13 + C2H5 = C8H18-2 8.000E+12 0.00 0.000
C7H15-2F + CH3 = C8H18-2 1.000E+13 0.00 0.000
!
!
! 2-METHYLOCTANE
!
!
!
!
!
!
!
!
!
! CLASS 1 UNIMOLECULAR FUEL DECOMPOSITION
!
C9H19-2A + H = C9H20-2 1.000E+14 0.00 0.000
C9H19-2B + H = C9H20-2 1.000E+14 0.00 0.000
C9H19-2C + H = C9H20-2 1.000E+14 0.00 0.000
C9H19-2D + H = C9H20-2 1.000E+14 0.00 0.000
C9H19-2E + H = C9H20-2 1.000E+14 0.00 0.000
C9H19-2F + H = C9H20-2 1.000E+14 0.00 0.000
C9H19-2G + H = C9H20-2 1.000E+14 0.00 0.000
C9H19-2H + H = C9H20-2 1.000E+14 0.00 0.000
!
CH3 + C8H17-2 = C9H20-2 1.000E+13 0.00 0.000
IC3H7 + C6H13-1 = C9H20-2 8.000E+12 0.00 0.000
IC4H9 + C5H11-1 = C9H20-2 8.000E+12 0.00 0.000
!
!
!
! 2-METHYLNONANE
!
!
!
! CLASS 1 UNIMOLECULAR FUEL DECOMPOSITION
!
C10H21-2A + H = C10H22-2 1.000E+14 0.00
0.000
C10H21-2B + H = C10H22-2 1.000E+14 0.00
0.000
C10H21-2C + H = C10H22-2 1.000E+14 0.00
0.000
C10H21-2D + H = C10H22-2 1.000E+14 0.00
0.000
C10H21-2E + H = C10H22-2 1.000E+14 0.00
0.000
C10H21-2F + H = C10H22-2 1.000E+14 0.00
0.000
C10H21-2G + H = C10H22-2 1.000E+14 0.00
0.000
C10H21-2H + H = C10H22-2 1.000E+14 0.00
0.000
C10H21-2I + H = C10H22-2 1.000E+14 0.00
0.000
!
CH3 + C9H19-2 = C10H22-2 1.000E+13 0.00 0.000
IC3H7 + C7H15-1 = C10H22-2 8.000E+12 0.00 0.000
IC4H9 + C6H13-1 = C10H22-2 8.000E+12 0.00 0.000
!
C11H23-2A + H = C11H24-2 1.000E+14 0.00
0.000
C11H23-2B + H = C11H24-2 1.000E+14 0.00
0.000
C11H23-2C + H = C11H24-2 1.000E+14 0.00
0.000
C11H23-2D + H = C11H24-2 1.000E+14 0.00
0.000
C11H23-2E + H = C11H24-2 1.000E+14 0.00
0.000
C11H23-2F + H = C11H24-2 1.000E+14 0.00
0.000
C11H23-2G + H = C11H24-2 1.000E+14 0.00
0.000
C11H23-2H + H = C11H24-2 1.000E+14 0.00
0.000
C11H23-2I + H = C11H24-2 1.000E+14 0.00
0.000
C11H23-2J + H = C11H24-2 1.000E+14 0.00
0.000
!
CH3 + C10H21-2 = C11H24-2 1.000E+13 0.00
0.000
IC3H7 + C8H17-1 = C11H24-2 8.000E+12 0.00 0.000
!
C12H25-2A + H = C12H26-2 1.000E+14 0.00
0.000
C12H25-2B + H = C12H26-2 1.000E+14 0.00
0.000
C12H25-2C + H = C12H26-2 1.000E+14 0.00
0.000
C12H25-2D + H = C12H26-2 1.000E+14 0.00
0.000
C12H25-2E + H = C12H26-2 1.000E+14 0.00
0.000
C12H25-2F + H = C12H26-2 1.000E+14 0.00
0.000
C12H25-2G + H = C12H26-2 1.000E+14 0.00
0.000
C12H25-2H + H = C12H26-2 1.000E+14 0.00
0.000
C12H25-2I + H = C12H26-2 1.000E+14 0.00
0.000
C12H25-2J + H = C12H26-2 1.000E+14 0.00
0.000
C12H25-2K + H = C12H26-2 1.000E+14 0.00
0.000
!
CH3 + C11H23-2 = C12H26-2 1.000E+13 0.00
0.000
IC3H7 + C9H19-1 = C12H26-2 8.000E+12 0.00 0.000
IC4H9 + C8H17-1 = C12H26-2 8.000E+12 0.00 0.000
DC5H11 + C7H15-1 = C12H26-2 8.000E+12 0.00 0.000
EC6H13 + C6H13-1 = C12H26-2 8.000E+12 0.00 0.000
C7H15-2F + C5H11-1 = C12H26-2 8.000E+12 0.00
0.000
C8H17-2G + PC4H9 = C12H26-2 8.000E+12 0.00
0.000
C9H19-2H + NC3H7 = C12H26-2 8.000E+12 0.00
0.000
C10H21-2I + C2H5 = C12H26-2 8.000E+12 0.00
0.000
C11H23-2J + CH3 = C12H26-2 1.000E+13 0.00
0.000
!
!
!
!
! !
!
!
! 2-METHYLHEXANE
!
!
!
!
!
! CLASS 2 H ATOM ABSTRACTION FROM FUEL
C7H16-2 + H = C7H15-2A + H2 1.330E+06 2.54
6.756E+03
C7H16-2 + H = C7H15-2B + H2 6.020E+05 2.40
2.583E+03
C7H16-2 + H = C7H15-2C + H2 1.300E+06 2.40
4.471E+03
C7H16-2 + H = C7H15-2D + H2 1.300E+06 2.40
4.471E+03
C7H16-2 + H = C7H15-2E + H2 1.300E+06 2.40
4.471E+03
C7H16-2 + H = C7H15-2F + H2 6.660E+05 2.54
6.756E+03
!
!
C7H16-2 + O = C7H15-2A + OH 1.960E+06 2.43
4.750E+03
C7H16-2 + O = C7H15-2B + OH 3.830E+05 2.41
1.140E+03
C7H16-2 + O = C7H15-2C + OH 5.520E+05 2.45
2.830E+03
C7H16-2 + O = C7H15-2D + OH 5.520E+05 2.45
2.830E+03
C7H16-2 + O = C7H15-2E + OH 5.520E+05 2.45
2.830E+03
C7H16-2 + O = C7H15-2F + OH 9.810E+05 2.43
4.750E+03
!
!
C7H16-2 + OH = C7H15-2A + H2O 1.056E+10 0.97
1.590E+03
C7H16-2 + OH = C7H15-2B + H2O 5.730E+10 0.51
6.300E+01
C7H16-2 + OH = C7H15-2C + H2O 4.680E+07 1.61
-3.500E+01
C7H16-2 + OH = C7H15-2D + H2O 4.680E+07 1.61
-3.500E+01
C7H16-2 + OH = C7H15-2E + H2O 4.680E+07 1.61
-3.500E+01
C7H16-2 + OH = C7H15-2F + H2O 5.280E+09 0.97
1.590E+03
!
!
C7H16-2 + CH3 = C7H15-2A + CH4 9.040E-01 3.65
7.154E+03
C7H16-2 + CH3 = C7H15-2B + CH4 6.010E-10 6.36
8.930E+02
C7H16-2 + CH3 = C7H15-2C + CH4 1.510E+00 3.46
5.481E+03
C7H16-2 + CH3 = C7H15-2D + CH4 1.510E+00 3.46
5.481E+03
C7H16-2 + CH3 = C7H15-2E + CH4 1.510E+00 3.46
5.481E+03
C7H16-2 + CH3 = C7H15-2F + CH4 4.520E-01 3.65
7.154E+03
!
!
C7H16-2 + HO2 = C7H15-2A + H2O2 4.080E+01 3.59
1.716E+04
C7H16-2 + HO2 = C7H15-2B + H2O2 6.500E+02 3.01
1.209E+04
C7H16-2 + HO2 = C7H15-2C + H2O2 6.320E+01 3.37
1.372E+04
C7H16-2 + HO2 = C7H15-2D + H2O2 6.320E+01 3.37
1.372E+04
C7H16-2 + HO2 = C7H15-2E + H2O2 6.320E+01 3.37
1.372E+04
C7H16-2 + HO2 = C7H15-2F + H2O2 2.040E+01 3.59
1.716E+04
!
!
C7H16-2 + CH3O = C7H15-2A + CH3OH 4.338E+11 0.00
6.548E+03
C7H16-2 + CH3O = C7H15-2B + CH3OH 2.290E+10 0.00
2.873E+03
C7H16-2 + CH3O = C7H15-2C + CH3OH 1.450E+11 0.00
4.571E+03
C7H16-2 + CH3O = C7H15-2D + CH3OH 1.450E+11 0.00
4.571E+03
C7H16-2 + CH3O = C7H15-2E + CH3OH 1.450E+11 0.00
4.571E+03
C7H16-2 + CH3O = C7H15-2F + CH3OH 2.169E+11 0.00
6.548E+03
!
!
C7H16-2 + O2 = C7H15-2A + HO2 6.000E+13 0.00
5.229E+04
C7H16-2 + O2 = C7H15-2B + HO2 1.000E+13 0.00
4.820E+04
C7H16-2 + O2 = C7H15-2C + HO2 2.000E+13 0.00
4.964E+04
C7H16-2 + O2 = C7H15-2D + HO2 2.000E+13 0.00
4.964E+04
C7H16-2 + O2 = C7H15-2E + HO2 2.000E+13 0.00
4.964E+04
C7H16-2 + O2 = C7H15-2F + HO2 3.000E+13 0.00
5.280E+04
!
!
C7H16-2 + C2H5 = C7H15-2A + C2H6 1.000E+11 0.00
1.340E+04
C7H16-2 + C2H5 = C7H15-2B + C2H6 1.000E+11 0.00
7.900E+03
C7H16-2 + C2H5 = C7H15-2C + C2H6 5.000E+10 0.00
1.040E+04
C7H16-2 + C2H5 = C7H15-2D + C2H6 5.000E+10 0.00
1.040E+04
C7H16-2 + C2H5 = C7H15-2E + C2H6 5.000E+10 0.00
1.040E+04
C7H16-2 + C2H5 = C7H15-2F + C2H6 5.000E+10 0.00
1.340E+04
!
!
C7H16-2 + C2H3 = C7H15-2A + C2H4 1.000E+12 0.00
1.800E+04
C7H16-2 + C2H3 = C7H15-2B + C2H4 2.000E+11 0.00
1.430E+04
C7H16-2 + C2H3 = C7H15-2C + C2H4 4.000E+11 0.00
1.680E+04
C7H16-2 + C2H3 = C7H15-2D + C2H4 4.000E+11 0.00
1.680E+04
C7H16-2 + C2H3 = C7H15-2E + C2H4 4.000E+11 0.00
1.680E+04
C7H16-2 + C2H3 = C7H15-2F + C2H4 5.000E+11 0.00
1.800E+04
!
!
C7H16-2 + CH3O2 = C7H15-2A + CH3O2H 1.386E+00 3.97
1.828E+04
C7H16-2 + CH3O2 = C7H15-2B + CH3O2H 2.060E+02 3.12
1.319E+04
C7H16-2 + CH3O2 = C7H15-2C + CH3O2H 1.0185E+01 3.58
1.481E+04
C7H16-2 + CH3O2 = C7H15-2D + CH3O2H 1.0185E+01 3.58
1.481E+04
C7H16-2 + CH3O2 = C7H15-2E + CH3O2H 1.0185E+01 3.58
1.481E+04
C7H16-2 + CH3O2 = C7H15-2F + CH3O2H 6.930E-01 3.97
1.828E+04
!
!
C7H16-2 + C7H15-2A = C7H15-2B + C7H16-2 2.500E+10
0.00 7.900E+03
REV / 1.500E+11 0.00 1.230E+04 /
C7H16-2 + C7H15-2A = C7H15-2C + C7H16-2 5.000E+10
0.00 1.040E+04
REV / 1.500E+11 0.00 1.230E+04 /
C7H16-2 + C7H15-2A = C7H15-2D + C7H16-2 5.000E+10
0.00 1.040E+04
REV / 1.500E+11 0.00 1.230E+04 /
C7H16-2 + C7H15-2A = C7H15-2E + C7H16-2 5.000E+10
0.00 1.040E+04
REV / 1.500E+11 0.00 1.230E+04 /
C7H16-2 + C7H15-2A = C7H15-2F + C7H16-2 7.500E+10
0.00 1.230E+04
REV / 1.500E+11 0.00 1.230E+04 /
!
!
C7H16-2 + C7H15-2B = C7H15-2C + C7H16-2 5.000E+10
0.00 1.040E+04
REV / 2.500E+10 0.00 7.900E+03 /
C7H16-2 + C7H15-2B = C7H15-2D + C7H16-2 5.000E+10
0.00 1.040E+04
REV / 2.500E+10 0.00 7.900E+03 /
C7H16-2 + C7H15-2B = C7H15-2E + C7H16-2 5.000E+10
0.00 1.040E+04
REV / 2.500E+10 0.00 7.900E+03 /
C7H16-2 + C7H15-2B = C7H15-2F + C7H16-2 7.500E+10
0.00 1.230E+04
REV / 2.500E+10 0.00 7.900E+03 /
!
!
C7H16-2 + C7H15-2C = C7H15-2D + C7H16-2 5.000E+10
0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C7H16-2 + C7H15-2C = C7H15-2E + C7H16-2 5.000E+10
0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C7H16-2 + C7H15-2C = C7H15-2F + C7H16-2 7.500E+10
0.00 1.230E+04
REV / 5.000E+10 0.00 1.040E+04 /
!
!
C7H16-2 + C7H15-2D = C7H15-2E + C7H16-2 5.000E+10
0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C7H16-2 + C7H15-2D = C7H15-2F + C7H16-2 7.500E+10
0.00 1.230E+04
REV / 5.000E+10 0.00 1.040E+04 /
!
!
C7H16-2 + C7H15-2E = C7H15-2F + C7H16-2 7.500E+10
0.00 1.230E+04
REV / 5.000E+10 0.00 1.040E+04 /
!
!
C7H16-2 + C7H15OO-1-2 = C7H15-2A + C7H15OOH-1-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C7H16-2 + C7H15OO-2-2 = C7H15-2A + C7H15OOH-2-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C7H16-2 + C7H15OO-3-2 = C7H15-2A + C7H15OOH-3-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C7H16-2 + C7H15OO-4-2 = C7H15-2A + C7H15OOH-4-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C7H16-2 + C7H15OO-5-2 = C7H15-2A + C7H15OOH-5-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C7H16-2 + C7H15OO-6-2 = C7H15-2A + C7H15OOH-6-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C7H16-2 + C7H15OO-1-2 = C7H15-2B + C7H15OOH-1-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C7H16-2 + C7H15OO-2-2 = C7H15-2B + C7H15OOH-2-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C7H16-2 + C7H15OO-3-2 = C7H15-2B + C7H15OOH-3-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C7H16-2 + C7H15OO-4-2 = C7H15-2B + C7H15OOH-4-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C7H16-2 + C7H15OO-5-2 = C7H15-2B + C7H15OOH-5-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C7H16-2 + C7H15OO-6-2 = C7H15-2B + C7H15OOH-6-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C7H16-2 + C7H15OO-1-2 = C7H15-2C + C7H15OOH-1-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C7H16-2 + C7H15OO-2-2 = C7H15-2C + C7H15OOH-2-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C7H16-2 + C7H15OO-3-2 = C7H15-2C + C7H15OOH-3-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C7H16-2 + C7H15OO-4-2 = C7H15-2C + C7H15OOH-4-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C7H16-2 + C7H15OO-5-2 = C7H15-2C + C7H15OOH-5-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C7H16-2 + C7H15OO-6-2 = C7H15-2C + C7H15OOH-6-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C7H16-2 + C7H15OO-1-2 = C7H15-2D + C7H15OOH-1-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C7H16-2 + C7H15OO-2-2 = C7H15-2D + C7H15OOH-2-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C7H16-2 + C7H15OO-3-2 = C7H15-2D + C7H15OOH-3-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C7H16-2 + C7H15OO-4-2 = C7H15-2D + C7H15OOH-4-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C7H16-2 + C7H15OO-5-2 = C7H15-2D + C7H15OOH-5-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C7H16-2 + C7H15OO-6-2 = C7H15-2D + C7H15OOH-6-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C7H16-2 + C7H15OO-1-2 = C7H15-2E + C7H15OOH-1-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C7H16-2 + C7H15OO-2-2 = C7H15-2E + C7H15OOH-2-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C7H16-2 + C7H15OO-3-2 = C7H15-2E + C7H15OOH-3-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C7H16-2 + C7H15OO-4-2 = C7H15-2E + C7H15OOH-4-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C7H16-2 + C7H15OO-5-2 = C7H15-2E + C7H15OOH-5-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C7H16-2 + C7H15OO-6-2 = C7H15-2E + C7H15OOH-6-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C7H16-2 + C7H15OO-1-2 = C7H15-2F + C7H15OOH-1-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C7H16-2 + C7H15OO-2-2 = C7H15-2F + C7H15OOH-2-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C7H16-2 + C7H15OO-3-2 = C7H15-2F + C7H15OOH-3-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C7H16-2 + C7H15OO-4-2 = C7H15-2F + C7H15OOH-4-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C7H16-2 + C7H15OO-5-2 = C7H15-2F + C7H15OOH-5-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C7H16-2 + C7H15OO-6-2 = C7H15-2F + C7H15OOH-6-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
!
!
!
!
!
!
!
! 2-METHYLHEPTANE
!
!
!
!
!
! CLASS 2 H ATOM ABSTRACTION FROM FUEL
C8H18-2 + H = C8H17-2A + H2 1.330E+06 2.54
6.756E+03
C8H18-2 + H = C8H17-2B + H2 6.020E+05 2.40
2.583E+03
C8H18-2 + H = C8H17-2C + H2 1.300E+06 2.40
4.471E+03
C8H18-2 + H = C8H17-2D + H2 1.300E+06 2.40
4.471E+03
C8H18-2 + H = C8H17-2E + H2 1.300E+06 2.40
4.471E+03
C8H18-2 + H = C8H17-2F + H2 1.300E+06 2.40
4.471E+03
C8H18-2 + H = C8H17-2G + H2 6.660E+05 2.54
6.756E+03
!
!
C8H18-2 + O = C8H17-2A + OH 1.960E+06 2.43
4.750E+03
C8H18-2 + O = C8H17-2B + OH 3.830E+05 2.41
1.140E+03
C8H18-2 + O = C8H17-2C + OH 5.520E+05 2.45
2.830E+03
C8H18-2 + O = C8H17-2D + OH 5.520E+05 2.45
2.830E+03
C8H18-2 + O = C8H17-2E + OH 5.520E+05 2.45
2.830E+03
C8H18-2 + O = C8H17-2F + OH 5.520E+05 2.45
2.830E+03
C8H18-2 + O = C8H17-2G + OH 9.810E+05 2.43
4.750E+03
!
!
C8H18-2 + OH = C8H17-2A + H2O 1.056E+10 0.97
1.590E+03
C8H18-2 + OH = C8H17-2B + H2O 5.730E+10 0.51
6.300E+01
C8H18-2 + OH = C8H17-2C + H2O 4.680E+07 1.61
-3.500E+01
C8H18-2 + OH = C8H17-2D + H2O 4.680E+07 1.61
-3.500E+01
C8H18-2 + OH = C8H17-2E + H2O 4.680E+07 1.61
-3.500E+01
C8H18-2 + OH = C8H17-2F + H2O 4.680E+07 1.61
-3.500E+01
C8H18-2 + OH = C8H17-2G + H2O 5.280E+09 0.97
1.590E+03
!
!
C8H18-2 + CH3 = C8H17-2A + CH4 9.040E-01 3.65
7.154E+03
C8H18-2 + CH3 = C8H17-2B + CH4 6.010E-10 6.36
8.930E+02
C8H18-2 + CH3 = C8H17-2C + CH4 1.510E+00 3.46
5.481E+03
C8H18-2 + CH3 = C8H17-2D + CH4 1.510E+00 3.46
5.481E+03
C8H18-2 + CH3 = C8H17-2E + CH4 1.510E+00 3.46
5.481E+03
C8H18-2 + CH3 = C8H17-2F + CH4 1.510E+00 3.46
5.481E+03
C8H18-2 + CH3 = C8H17-2G + CH4 4.520E-01 3.65
7.154E+03
!
!
C8H18-2 + HO2 = C8H17-2A + H2O2 4.080E+01 3.59
1.716E+04
C8H18-2 + HO2 = C8H17-2B + H2O2 6.500E+02 3.01
1.209E+04
C8H18-2 + HO2 = C8H17-2C + H2O2 6.320E+01 3.37
1.372E+04
C8H18-2 + HO2 = C8H17-2D + H2O2 6.320E+01 3.37
1.372E+04
C8H18-2 + HO2 = C8H17-2E + H2O2 6.320E+01 3.37
1.372E+04
C8H18-2 + HO2 = C8H17-2F + H2O2 6.320E+01 3.37
1.372E+04
C8H18-2 + HO2 = C8H17-2G + H2O2 2.040E+01 3.59
1.716E+04
!
!
C8H18-2 + CH3O = C8H17-2A + CH3OH 4.338E+11 0.00
6.548E+03
C8H18-2 + CH3O = C8H17-2B + CH3OH 2.290E+10 0.00
2.873E+03
C8H18-2 + CH3O = C8H17-2C + CH3OH 1.450E+11 0.00
4.571E+03
C8H18-2 + CH3O = C8H17-2D + CH3OH 1.450E+11 0.00
4.571E+03
C8H18-2 + CH3O = C8H17-2E + CH3OH 1.450E+11 0.00
4.571E+03
C8H18-2 + CH3O = C8H17-2F + CH3OH 1.450E+11 0.00
4.571E+03
C8H18-2 + CH3O = C8H17-2G + CH3OH 2.169E+11 0.00
6.548E+03
!
!
C8H18-2 + O2 = C8H17-2A + HO2 6.000E+13 0.00
5.229E+04
C8H18-2 + O2 = C8H17-2B + HO2 1.000E+13 0.00
4.820E+04
C8H18-2 + O2 = C8H17-2C + HO2 2.000E+13 0.00
4.964E+04
C8H18-2 + O2 = C8H17-2D + HO2 2.000E+13 0.00
4.964E+04
C8H18-2 + O2 = C8H17-2E + HO2 2.000E+13 0.00
4.964E+04
C8H18-2 + O2 = C8H17-2F + HO2 2.000E+13 0.00
4.964E+04
C8H18-2 + O2 = C8H17-2G + HO2 3.000E+13 0.00
5.280E+04
!
!
C8H18-2 + C2H5 = C8H17-2A + C2H6 1.000E+11 0.00
1.340E+04
C8H18-2 + C2H5 = C8H17-2B + C2H6 1.000E+11 0.00
7.900E+03
C8H18-2 + C2H5 = C8H17-2C + C2H6 5.000E+10 0.00
1.040E+04
C8H18-2 + C2H5 = C8H17-2D + C2H6 5.000E+10 0.00
1.040E+04
C8H18-2 + C2H5 = C8H17-2E + C2H6 5.000E+10 0.00
1.040E+04
C8H18-2 + C2H5 = C8H17-2F + C2H6 5.000E+10 0.00
1.040E+04
C8H18-2 + C2H5 = C8H17-2G + C2H6 5.000E+10 0.00
1.340E+04
!
!
C8H18-2 + C2H3 = C8H17-2A + C2H4 1.000E+12 0.00
1.800E+04
C8H18-2 + C2H3 = C8H17-2B + C2H4 2.000E+11 0.00
1.430E+04
C8H18-2 + C2H3 = C8H17-2C + C2H4 4.000E+11 0.00
1.680E+04
C8H18-2 + C2H3 = C8H17-2D + C2H4 4.000E+11 0.00
1.680E+04
C8H18-2 + C2H3 = C8H17-2E + C2H4 4.000E+11 0.00
1.680E+04
C8H18-2 + C2H3 = C8H17-2F + C2H4 4.000E+11 0.00
1.680E+04
C8H18-2 + C2H3 = C8H17-2G + C2H4 5.000E+11 0.00
1.800E+04
!
!
C8H18-2 + CH3O2 = C8H17-2A + CH3O2H 1.386E+00 3.97
1.828E+04
C8H18-2 + CH3O2 = C8H17-2B + CH3O2H 2.060E+02 3.12
1.319E+04
C8H18-2 + CH3O2 = C8H17-2C + CH3O2H 1.0185E+01 3.58
1.481E+04
C8H18-2 + CH3O2 = C8H17-2D + CH3O2H 1.0185E+01 3.58
1.481E+04
C8H18-2 + CH3O2 = C8H17-2E + CH3O2H 1.0185E+01 3.58
1.481E+04
C8H18-2 + CH3O2 = C8H17-2F + CH3O2H 1.0185E+01 3.58
1.481E+04
C8H18-2 + CH3O2 = C8H17-2G + CH3O2H 6.930E-01 3.97
1.828E+04
!
!
C8H18-2 + C8H17-2A = C8H17-2B + C8H18-2 2.500E+10
0.00 7.900E+03
REV / 1.500E+11 0.00 1.230E+04 /
C8H18-2 + C8H17-2A = C8H17-2C + C8H18-2 5.000E+10
0.00 1.040E+04
REV / 1.500E+11 0.00 1.230E+04 /
C8H18-2 + C8H17-2A = C8H17-2D + C8H18-2 5.000E+10
0.00 1.040E+04
REV / 1.500E+11 0.00 1.230E+04 /
C8H18-2 + C8H17-2A = C8H17-2E + C8H18-2 5.000E+10
0.00 1.040E+04
REV / 1.500E+11 0.00 1.230E+04 /
C8H18-2 + C8H17-2A = C8H17-2F + C8H18-2 5.000E+10
0.00 1.230E+04
REV / 1.500E+11 0.00 1.040E+04 /
C8H18-2 + C8H17-2A = C8H17-2G + C8H18-2 7.500E+10
0.00 1.230E+04
REV / 1.500E+11 0.00 1.230E+04 /
!
!
C8H18-2 + C8H17-2B = C8H17-2C + C8H18-2 5.000E+10
0.00 1.040E+04
REV / 2.500E+10 0.00 7.900E+03 /
C8H18-2 + C8H17-2B = C8H17-2D + C8H18-2 5.000E+10
0.00 1.040E+04
REV / 2.500E+10 0.00 7.900E+03 /
C8H18-2 + C8H17-2B = C8H17-2E + C8H18-2 5.000E+10
0.00 1.040E+04
REV / 2.500E+10 0.00 7.900E+03 /
C8H18-2 + C8H17-2B = C8H17-2F + C8H18-2 5.000E+10
0.00 1.040E+04
REV / 2.500E+10 0.00 7.900E+03 /
C8H18-2 + C8H17-2B = C8H17-2G + C8H18-2 7.500E+10
0.00 1.230E+04
REV / 2.500E+10 0.00 7.900E+03 /
!
!
C8H18-2 + C8H17-2C = C8H17-2D + C8H18-2 5.000E+10
0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C8H18-2 + C8H17-2C = C8H17-2E + C8H18-2 5.000E+10
0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C8H18-2 + C8H17-2C = C8H17-2F + C8H18-2 5.000E+10
0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C8H18-2 + C8H17-2C = C8H17-2G + C8H18-2 7.500E+10
0.00 1.230E+04
REV / 5.000E+10 0.00 1.040E+04 /
!
!
C8H18-2 + C8H17-2D = C8H17-2E + C8H18-2 5.000E+10
0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C8H18-2 + C8H17-2D = C8H17-2F + C8H18-2 5.000E+10
0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C8H18-2 + C8H17-2D = C8H17-2G + C8H18-2 7.500E+10
0.00 1.230E+04
REV / 5.000E+10 0.00 1.040E+04 /
!
!
C8H18-2 + C8H17-2E = C8H17-2F + C8H18-2 5.000E+10
0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C8H18-2 + C8H17-2E = C8H17-2G + C8H18-2 7.500E+10
0.00 1.230E+04
REV / 5.000E+10 0.00 1.040E+04 /
!
C8H18-2 + C8H17-2F = C8H17-2G + C8H18-2 7.500E+10
0.00 1.230E+04
REV / 5.000E+10 0.00 1.040E+04 /
!
!
C8H18-2 + C8H17OO-1-2 = C8H17-2A + C8H17OOH-1-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-2-2 = C8H17-2A + C8H17OOH-2-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-3-2 = C8H17-2A + C8H17OOH-3-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-4-2 = C8H17-2A + C8H17OOH-4-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-5-2 = C8H17-2A + C8H17OOH-5-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-6-2 = C8H17-2A + C8H17OOH-6-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-7-2 = C8H17-2A + C8H17OOH-7-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C8H18-2 + C8H17OO-1-2 = C8H17-2B + C8H17OOH-1-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-2-2 = C8H17-2B + C8H17OOH-2-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-3-2 = C8H17-2B + C8H17OOH-3-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-4-2 = C8H17-2B + C8H17OOH-4-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-5-2 = C8H17-2B + C8H17OOH-5-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-6-2 = C8H17-2B + C8H17OOH-6-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-7-2 = C8H17-2B + C8H17OOH-7-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C8H18-2 + C8H17OO-1-2 = C8H17-2C + C8H17OOH-1-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-2-2 = C8H17-2C + C8H17OOH-2-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-3-2 = C8H17-2C + C8H17OOH-3-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-4-2 = C8H17-2C + C8H17OOH-4-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-5-2 = C8H17-2C + C8H17OOH-5-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-6-2 = C8H17-2C + C8H17OOH-6-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-7-2 = C8H17-2C + C8H17OOH-7-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C8H18-2 + C8H17OO-1-2 = C8H17-2D + C8H17OOH-1-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-2-2 = C8H17-2D + C8H17OOH-2-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-3-2 = C8H17-2D + C8H17OOH-3-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-4-2 = C8H17-2D + C8H17OOH-4-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-5-2 = C8H17-2D + C8H17OOH-5-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-6-2 = C8H17-2D + C8H17OOH-6-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-7-2 = C8H17-2D + C8H17OOH-7-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C8H18-2 + C8H17OO-1-2 = C8H17-2E + C8H17OOH-1-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-2-2 = C8H17-2E + C8H17OOH-2-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-3-2 = C8H17-2E + C8H17OOH-3-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-4-2 = C8H17-2E + C8H17OOH-4-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-5-2 = C8H17-2E + C8H17OOH-5-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-6-2 = C8H17-2E + C8H17OOH-6-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-7-2 = C8H17-2E + C8H17OOH-7-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C8H18-2 + C8H17OO-1-2 = C8H17-2F + C8H17OOH-1-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-2-2 = C8H17-2F + C8H17OOH-2-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-3-2 = C8H17-2F + C8H17OOH-3-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-4-2 = C8H17-2F + C8H17OOH-4-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-5-2 = C8H17-2F + C8H17OOH-5-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-6-2 = C8H17-2F + C8H17OOH-6-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-7-2 = C8H17-2F + C8H17OOH-7-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C8H18-2 + C8H17OO-1-2 = C8H17-2G + C8H17OOH-1-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-2-2 = C8H17-2G + C8H17OOH-2-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-3-2 = C8H17-2G + C8H17OOH-3-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-4-2 = C8H17-2G + C8H17OOH-4-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-5-2 = C8H17-2G + C8H17OOH-5-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-6-2 = C8H17-2G + C8H17OOH-6-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C8H18-2 + C8H17OO-7-2 = C8H17-2G + C8H17OOH-7-2
6.000E+12 0.00 2.043E+04
!
!
!
!
!
!
!
!
! 2-METHYLOCTANE
!
!
!
!
!
! CLASS 2 H ATOM ABSTRACTION FROM FUEL
C9H20-2 + H = C9H19-2A + H2 1.330E+06 2.54
6.756E+03
C9H20-2 + H = C9H19-2B + H2 6.020E+05 2.40
2.583E+03
C9H20-2 + H = C9H19-2C + H2 1.300E+06 2.40
4.471E+03
C9H20-2 + H = C9H19-2D + H2 1.300E+06 2.40
4.471E+03
C9H20-2 + H = C9H19-2E + H2 1.300E+06 2.40
4.471E+03
C9H20-2 + H = C9H19-2F + H2 1.300E+06 2.40
4.471E+03
C9H20-2 + H = C9H19-2G + H2 1.300E+06 2.40
4.471E+03
C9H20-2 + H = C9H19-2H + H2 6.660E+05 2.54
6.756E+03
!
!
C9H20-2 + O = C9H19-2A + OH 1.960E+06 2.43
4.750E+03
C9H20-2 + O = C9H19-2B + OH 3.830E+05 2.41
1.140E+03
C9H20-2 + O = C9H19-2C + OH 5.520E+05 2.45
2.830E+03
C9H20-2 + O = C9H19-2D + OH 5.520E+05 2.45
2.830E+03
C9H20-2 + O = C9H19-2E + OH 5.520E+05 2.45
2.830E+03
C9H20-2 + O = C9H19-2F + OH 5.520E+05 2.45
2.830E+03
C9H20-2 + O = C9H19-2G + OH 5.520E+05 2.45
2.830E+03
C9H20-2 + O = C9H19-2H + OH 9.810E+05 2.43
4.750E+03
!
!
C9H20-2 + OH = C9H19-2A + H2O 1.056E+10 0.97
1.590E+03
C9H20-2 + OH = C9H19-2B + H2O 5.730E+10 0.51
6.300E+01
C9H20-2 + OH = C9H19-2C + H2O 4.680E+07 1.61
-3.500E+01
C9H20-2 + OH = C9H19-2D + H2O 4.680E+07 1.61
-3.500E+01
C9H20-2 + OH = C9H19-2E + H2O 4.680E+07 1.61
-3.500E+01
C9H20-2 + OH = C9H19-2F + H2O 4.680E+07 1.61
-3.500E+01
C9H20-2 + OH = C9H19-2G + H2O 4.680E+07 1.61
-3.500E+01
C9H20-2 + OH = C9H19-2H + H2O 5.280E+09 0.97
1.590E+03
!
!
C9H20-2 + CH3 = C9H19-2A + CH4 9.040E-01 3.65
7.154E+03
C9H20-2 + CH3 = C9H19-2B + CH4 6.010E-10 6.36
8.930E+02
C9H20-2 + CH3 = C9H19-2C + CH4 1.510E+00 3.46
5.481E+03
C9H20-2 + CH3 = C9H19-2D + CH4 1.510E+00 3.46
5.481E+03
C9H20-2 + CH3 = C9H19-2E + CH4 1.510E+00 3.46
5.481E+03
C9H20-2 + CH3 = C9H19-2F + CH4 1.510E+00 3.46
5.481E+03
C9H20-2 + CH3 = C9H19-2G + CH4 1.510E+00 3.46
5.481E+03
C9H20-2 + CH3 = C9H19-2H + CH4 4.520E-01 3.65
7.154E+03
!
!
C9H20-2 + HO2 = C9H19-2A + H2O2 4.080E+01 3.59
1.716E+04
C9H20-2 + HO2 = C9H19-2B + H2O2 6.500E+02 3.01
1.209E+04
C9H20-2 + HO2 = C9H19-2C + H2O2 6.320E+01 3.37
1.372E+04
C9H20-2 + HO2 = C9H19-2D + H2O2 6.320E+01 3.37
1.372E+04
C9H20-2 + HO2 = C9H19-2E + H2O2 6.320E+01 3.37
1.372E+04
C9H20-2 + HO2 = C9H19-2F + H2O2 6.320E+01 3.37
1.372E+04
C9H20-2 + HO2 = C9H19-2G + H2O2 6.320E+01 3.37
1.372E+04
C9H20-2 + HO2 = C9H19-2H + H2O2 2.040E+01 3.59
1.716E+04
!
!
C9H20-2 + CH3O = C9H19-2A + CH3OH 4.338E+11 0.00
6.548E+03
C9H20-2 + CH3O = C9H19-2B + CH3OH 2.290E+10 0.00
2.873E+03
C9H20-2 + CH3O = C9H19-2C + CH3OH 1.450E+11 0.00
4.571E+03
C9H20-2 + CH3O = C9H19-2D + CH3OH 1.450E+11 0.00
4.571E+03
C9H20-2 + CH3O = C9H19-2E + CH3OH 1.450E+11 0.00
4.571E+03
C9H20-2 + CH3O = C9H19-2F + CH3OH 1.450E+11 0.00
4.571E+03
C9H20-2 + CH3O = C9H19-2G + CH3OH 1.450E+11 0.00
4.571E+03
C9H20-2 + CH3O = C9H19-2H + CH3OH 2.169E+11 0.00
6.548E+03
!
!
C9H20-2 + O2 = C9H19-2A + HO2 6.000E+13 0.00
5.229E+04
C9H20-2 + O2 = C9H19-2B + HO2 1.000E+13 0.00
4.820E+04
C9H20-2 + O2 = C9H19-2C + HO2 2.000E+13 0.00
4.964E+04
C9H20-2 + O2 = C9H19-2D + HO2 2.000E+13 0.00
4.964E+04
C9H20-2 + O2 = C9H19-2E + HO2 2.000E+13 0.00
4.964E+04
C9H20-2 + O2 = C9H19-2F + HO2 2.000E+13 0.00
4.964E+04
C9H20-2 + O2 = C9H19-2G + HO2 2.000E+13 0.00
4.964E+04
C9H20-2 + O2 = C9H19-2H + HO2 3.000E+13 0.00
5.280E+04
!
!
C9H20-2 + C2H5 = C9H19-2A + C2H6 1.000E+11 0.00
1.340E+04
C9H20-2 + C2H5 = C9H19-2B + C2H6 1.000E+11 0.00
7.900E+03
C9H20-2 + C2H5 = C9H19-2C + C2H6 5.000E+10 0.00
1.040E+04
C9H20-2 + C2H5 = C9H19-2D + C2H6 5.000E+10 0.00
1.040E+04
C9H20-2 + C2H5 = C9H19-2E + C2H6 5.000E+10 0.00
1.040E+04
C9H20-2 + C2H5 = C9H19-2F + C2H6 5.000E+10 0.00
1.040E+04
C9H20-2 + C2H5 = C9H19-2G + C2H6 5.000E+10 0.00
1.040E+04
C9H20-2 + C2H5 = C9H19-2H + C2H6 5.000E+10 0.00
1.340E+04
!
!
C9H20-2 + C2H3 = C9H19-2A + C2H4 1.000E+12 0.00
1.800E+04
C9H20-2 + C2H3 = C9H19-2B + C2H4 2.000E+11 0.00
1.430E+04
C9H20-2 + C2H3 = C9H19-2C + C2H4 4.000E+11 0.00
1.680E+04
C9H20-2 + C2H3 = C9H19-2D + C2H4 4.000E+11 0.00
1.680E+04
C9H20-2 + C2H3 = C9H19-2E + C2H4 4.000E+11 0.00
1.680E+04
C9H20-2 + C2H3 = C9H19-2F + C2H4 4.000E+11 0.00
1.680E+04
C9H20-2 + C2H3 = C9H19-2G + C2H4 4.000E+11 0.00
1.680E+04
C9H20-2 + C2H3 = C9H19-2H + C2H4 5.000E+11 0.00
1.800E+04
!
!
C9H20-2 + CH3O2 = C9H19-2A + CH3O2H 1.386E+00 3.97
1.828E+04
C9H20-2 + CH3O2 = C9H19-2B + CH3O2H 2.060E+02 3.12
1.319E+04
C9H20-2 + CH3O2 = C9H19-2C + CH3O2H 1.0185E+01 3.58
1.481E+04
C9H20-2 + CH3O2 = C9H19-2D + CH3O2H 1.0185E+01 3.58
1.481E+04
C9H20-2 + CH3O2 = C9H19-2E + CH3O2H 1.0185E+01 3.58
1.481E+04
C9H20-2 + CH3O2 = C9H19-2F + CH3O2H 1.0185E+01 3.58
1.481E+04
C9H20-2 + CH3O2 = C9H19-2G + CH3O2H 1.0185E+01 3.58
1.481E+04
C9H20-2 + CH3O2 = C9H19-2H + CH3O2H 6.930E-01 3.97
1.828E+04
!
!
C9H20-2 + C9H19-2A = C9H19-2B + C9H20-2 2.500E+10
0.00 7.900E+03
REV / 1.500E+11 0.00 1.230E+04 /
C9H20-2 + C9H19-2A = C9H19-2C + C9H20-2 5.000E+10
0.00 1.040E+04
REV / 1.500E+11 0.00 1.230E+04 /
C9H20-2 + C9H19-2A = C9H19-2D + C9H20-2 5.000E+10
0.00 1.040E+04
REV / 1.500E+11 0.00 1.230E+04 /
C9H20-2 + C9H19-2A = C9H19-2E + C9H20-2 5.000E+10
0.00 1.040E+04
REV / 1.500E+11 0.00 1.230E+04 /
C9H20-2 + C9H19-2A = C9H19-2F + C9H20-2 5.000E+10
0.00 1.230E+04
REV / 1.500E+11 0.00 1.040E+04 /
C9H20-2 + C9H19-2A = C9H19-2G + C9H20-2 5.000E+10
0.00 1.230E+04
REV / 1.500E+11 0.00 1.040E+04 /
C9H20-2 + C9H19-2A = C9H19-2H + C9H20-2 7.500E+10
0.00 1.230E+04
REV / 1.500E+11 0.00 1.230E+04 /
!
!
C9H20-2 + C9H19-2B = C9H19-2C + C9H20-2 5.000E+10
0.00 1.040E+04
REV / 2.500E+10 0.00 7.900E+03 /
C9H20-2 + C9H19-2B = C9H19-2D + C9H20-2 5.000E+10
0.00 1.040E+04
REV / 2.500E+10 0.00 7.900E+03 /
C9H20-2 + C9H19-2B = C9H19-2E + C9H20-2 5.000E+10
0.00 1.040E+04
REV / 2.500E+10 0.00 7.900E+03 /
C9H20-2 + C9H19-2B = C9H19-2F + C9H20-2 5.000E+10
0.00 1.040E+04
REV / 2.500E+10 0.00 7.900E+03 /
C9H20-2 + C9H19-2B = C9H19-2G + C9H20-2 5.000E+10
0.00 1.040E+04
REV / 2.500E+10 0.00 7.900E+03 /
C9H20-2 + C9H19-2B = C9H19-2H + C9H20-2 7.500E+10
0.00 1.230E+04
REV / 2.500E+10 0.00 7.900E+03 /
!
!
C9H20-2 + C9H19-2C = C9H19-2D + C9H20-2 5.000E+10
0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C9H20-2 + C9H19-2C = C9H19-2E + C9H20-2 5.000E+10
0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C9H20-2 + C9H19-2C = C9H19-2F + C9H20-2 5.000E+10
0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C9H20-2 + C9H19-2C = C9H19-2G + C9H20-2 5.000E+10
0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C9H20-2 + C9H19-2C = C9H19-2H + C9H20-2 7.500E+10
0.00 1.230E+04
REV / 5.000E+10 0.00 1.040E+04 /
!
!
C9H20-2 + C9H19-2D = C9H19-2E + C9H20-2 5.000E+10
0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C9H20-2 + C9H19-2D = C9H19-2F + C9H20-2 5.000E+10
0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C9H20-2 + C9H19-2D = C9H19-2G + C9H20-2 5.000E+10
0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C9H20-2 + C9H19-2D = C9H19-2H + C9H20-2 7.500E+10
0.00 1.230E+04
REV / 5.000E+10 0.00 1.040E+04 /
!
!
C9H20-2 + C9H19-2E = C9H19-2F + C9H20-2 5.000E+10
0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C9H20-2 + C9H19-2E = C9H19-2G + C9H20-2 5.000E+10
0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C9H20-2 + C9H19-2E = C9H19-2H + C9H20-2 7.500E+10
0.00 1.230E+04
REV / 5.000E+10 0.00 1.040E+04 /
!
!
C9H20-2 + C9H19-2F = C9H19-2G + C9H20-2 5.000E+10
0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C9H20-2 + C9H19-2F = C9H19-2H + C9H20-2 7.500E+10
0.00 1.230E+04
REV / 5.000E+10 0.00 1.040E+04 /
!
C9H20-2 + C9H19-2G = C9H19-2H + C9H20-2 7.500E+10
0.00 1.230E+04
REV / 5.000E+10 0.00 1.040E+04 /
!
!
C9H20-2 + C9H19OO-1-2 = C9H19-2A + C9H19OOH-1-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-2-2 = C9H19-2A + C9H19OOH-2-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-3-2 = C9H19-2A + C9H19OOH-3-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-4-2 = C9H19-2A + C9H19OOH-4-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-5-2 = C9H19-2A + C9H19OOH-5-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-6-2 = C9H19-2A + C9H19OOH-6-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-7-2 = C9H19-2A + C9H19OOH-7-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-8-2 = C9H19-2A + C9H19OOH-8-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C9H20-2 + C9H19OO-1-2 = C9H19-2B + C9H19OOH-1-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-2-2 = C9H19-2B + C9H19OOH-2-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-3-2 = C9H19-2B + C9H19OOH-3-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-4-2 = C9H19-2B + C9H19OOH-4-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-5-2 = C9H19-2B + C9H19OOH-5-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-6-2 = C9H19-2B + C9H19OOH-6-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-7-2 = C9H19-2B + C9H19OOH-7-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-8-2 = C9H19-2B + C9H19OOH-8-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C9H20-2 + C9H19OO-1-2 = C9H19-2C + C9H19OOH-1-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-2-2 = C9H19-2C + C9H19OOH-2-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-3-2 = C9H19-2C + C9H19OOH-3-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-4-2 = C9H19-2C + C9H19OOH-4-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-5-2 = C9H19-2C + C9H19OOH-5-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-6-2 = C9H19-2C + C9H19OOH-6-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-7-2 = C9H19-2C + C9H19OOH-7-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-8-2 = C9H19-2C + C9H19OOH-8-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C9H20-2 + C9H19OO-1-2 = C9H19-2D + C9H19OOH-1-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-2-2 = C9H19-2D + C9H19OOH-2-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-3-2 = C9H19-2D + C9H19OOH-3-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-4-2 = C9H19-2D + C9H19OOH-4-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-5-2 = C9H19-2D + C9H19OOH-5-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-6-2 = C9H19-2D + C9H19OOH-6-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-7-2 = C9H19-2D + C9H19OOH-7-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-8-2 = C9H19-2D + C9H19OOH-8-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C9H20-2 + C9H19OO-1-2 = C9H19-2E + C9H19OOH-1-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-2-2 = C9H19-2E + C9H19OOH-2-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-3-2 = C9H19-2E + C9H19OOH-3-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-4-2 = C9H19-2E + C9H19OOH-4-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-5-2 = C9H19-2E + C9H19OOH-5-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-6-2 = C9H19-2E + C9H19OOH-6-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-7-2 = C9H19-2E + C9H19OOH-7-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-8-2 = C9H19-2E + C9H19OOH-8-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C9H20-2 + C9H19OO-1-2 = C9H19-2F + C9H19OOH-1-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-2-2 = C9H19-2F + C9H19OOH-2-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-3-2 = C9H19-2F + C9H19OOH-3-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-4-2 = C9H19-2F + C9H19OOH-4-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-5-2 = C9H19-2F + C9H19OOH-5-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-6-2 = C9H19-2F + C9H19OOH-6-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-7-2 = C9H19-2F + C9H19OOH-7-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-8-2 = C9H19-2F + C9H19OOH-8-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C9H20-2 + C9H19OO-1-2 = C9H19-2G + C9H19OOH-1-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-2-2 = C9H19-2G + C9H19OOH-2-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-3-2 = C9H19-2G + C9H19OOH-3-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-4-2 = C9H19-2G + C9H19OOH-4-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-5-2 = C9H19-2G + C9H19OOH-5-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-6-2 = C9H19-2G + C9H19OOH-6-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-7-2 = C9H19-2G + C9H19OOH-7-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-8-2 = C9H19-2G + C9H19OOH-8-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C9H20-2 + C9H19OO-1-2 = C9H19-2H + C9H19OOH-1-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-2-2 = C9H19-2H + C9H19OOH-2-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-3-2 = C9H19-2H + C9H19OOH-3-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-4-2 = C9H19-2H + C9H19OOH-4-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-5-2 = C9H19-2H + C9H19OOH-5-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-6-2 = C9H19-2H + C9H19OOH-6-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-7-2 = C9H19-2H + C9H19OOH-7-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C9H20-2 + C9H19OO-8-2 = C9H19-2H + C9H19OOH-8-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
!
!
!
!
!
!
! 2-METHYLNONANE
!
!
!
!
!
! CLASS 2 H ATOM ABSTRACTION FROM FUEL
C10H22-2 + H = C10H21-2A + H2 1.330E+06
2.54 6.756E+03
C10H22-2 + H = C10H21-2B + H2 6.020E+05
2.40 2.583E+03
C10H22-2 + H = C10H21-2C + H2 1.300E+06
2.40 4.471E+03
C10H22-2 + H = C10H21-2D + H2 1.300E+06
2.40 4.471E+03
C10H22-2 + H = C10H21-2E + H2 1.300E+06
2.40 4.471E+03
C10H22-2 + H = C10H21-2F + H2 1.300E+06
2.40 4.471E+03
C10H22-2 + H = C10H21-2G + H2 1.300E+06
2.40 4.471E+03
C10H22-2 + H = C10H21-2H + H2 1.300E+06
2.40 4.471E+03
C10H22-2 + H = C10H21-2I + H2 6.660E+05
2.54 6.756E+03
!
!
C10H22-2 + O = C10H21-2A + OH 1.960E+06
2.43 4.750E+03
C10H22-2 + O = C10H21-2B + OH 3.830E+05
2.41 1.140E+03
C10H22-2 + O = C10H21-2C + OH 5.520E+05
2.45 2.830E+03
C10H22-2 + O = C10H21-2D + OH 5.520E+05
2.45 2.830E+03
C10H22-2 + O = C10H21-2E + OH 5.520E+05
2.45 2.830E+03
C10H22-2 + O = C10H21-2F + OH 5.520E+05
2.45 2.830E+03
C10H22-2 + O = C10H21-2G + OH 5.520E+05
2.45 2.830E+03
C10H22-2 + O = C10H21-2H + OH 5.520E+05
2.45 2.830E+03
C10H22-2 + O = C10H21-2I + OH 9.810E+05
2.43 4.750E+03
!
!
C10H22-2 + OH = C10H21-2A + H2O 1.056E+10
0.97 1.590E+03
C10H22-2 + OH = C10H21-2B + H2O 5.730E+10
0.51 6.300E+01
C10H22-2 + OH = C10H21-2C + H2O 4.680E+07
1.61 -3.500E+01
C10H22-2 + OH = C10H21-2D + H2O 4.680E+07
1.61 -3.500E+01
C10H22-2 + OH = C10H21-2E + H2O 4.680E+07
1.61 -3.500E+01
C10H22-2 + OH = C10H21-2F + H2O 4.680E+07
1.61 -3.500E+01
C10H22-2 + OH = C10H21-2G + H2O 4.680E+07
1.61 -3.500E+01
C10H22-2 + OH = C10H21-2H + H2O 4.680E+07
1.61 -3.500E+01
C10H22-2 + OH = C10H21-2I + H2O 5.280E+09
0.97 1.590E+03
!
!
C10H22-2 + CH3 = C10H21-2A + CH4 9.040E-01
3.65 7.154E+03
C10H22-2 + CH3 = C10H21-2B + CH4 6.010E-10
6.36 8.930E+02
C10H22-2 + CH3 = C10H21-2C + CH4 1.510E+00
3.46 5.481E+03
C10H22-2 + CH3 = C10H21-2D + CH4 1.510E+00
3.46 5.481E+03
C10H22-2 + CH3 = C10H21-2E + CH4 1.510E+00
3.46 5.481E+03
C10H22-2 + CH3 = C10H21-2F + CH4 1.510E+00
3.46 5.481E+03
C10H22-2 + CH3 = C10H21-2G + CH4 1.510E+00
3.46 5.481E+03
C10H22-2 + CH3 = C10H21-2H + CH4 1.510E+00
3.46 5.481E+03
C10H22-2 + CH3 = C10H21-2I + CH4 4.520E-01
3.65 7.154E+03
!
!
C10H22-2 + HO2 = C10H21-2A + H2O2 4.080E+01
3.59 1.716E+04
C10H22-2 + HO2 = C10H21-2B + H2O2 6.500E+02
3.01 1.209E+04
C10H22-2 + HO2 = C10H21-2C + H2O2 6.320E+01
3.37 1.372E+04
C10H22-2 + HO2 = C10H21-2D + H2O2 6.320E+01
3.37 1.372E+04
C10H22-2 + HO2 = C10H21-2E + H2O2 6.320E+01
3.37 1.372E+04
C10H22-2 + HO2 = C10H21-2F + H2O2 6.320E+01
3.37 1.372E+04
C10H22-2 + HO2 = C10H21-2G + H2O2 6.320E+01
3.37 1.372E+04
C10H22-2 + HO2 = C10H21-2H + H2O2 6.320E+01
3.37 1.372E+04
C10H22-2 + HO2 = C10H21-2I + H2O2 2.040E+01
3.59 1.716E+04
!
!
C10H22-2 + CH3O = C10H21-2A + CH3OH 4.338E+11
0.00 6.548E+03
C10H22-2 + CH3O = C10H21-2B + CH3OH 2.290E+10
0.00 2.873E+03
C10H22-2 + CH3O = C10H21-2C + CH3OH 1.450E+11
0.00 4.571E+03
C10H22-2 + CH3O = C10H21-2D + CH3OH 1.450E+11
0.00 4.571E+03
C10H22-2 + CH3O = C10H21-2E + CH3OH 1.450E+11
0.00 4.571E+03
C10H22-2 + CH3O = C10H21-2F + CH3OH 1.450E+11
0.00 4.571E+03
C10H22-2 + CH3O = C10H21-2G + CH3OH 1.450E+11
0.00 4.571E+03
C10H22-2 + CH3O = C10H21-2H + CH3OH 1.450E+11
0.00 4.571E+03
C10H22-2 + CH3O = C10H21-2I + CH3OH 2.169E+11
0.00 6.548E+03
!
!
C10H22-2 + O2 = C10H21-2A + HO2 6.000E+13
0.00 5.229E+04
C10H22-2 + O2 = C10H21-2B + HO2 1.000E+13
0.00 4.820E+04
C10H22-2 + O2 = C10H21-2C + HO2 2.000E+13
0.00 4.964E+04
C10H22-2 + O2 = C10H21-2D + HO2 2.000E+13
0.00 4.964E+04
C10H22-2 + O2 = C10H21-2E + HO2 2.000E+13
0.00 4.964E+04
C10H22-2 + O2 = C10H21-2F + HO2 2.000E+13
0.00 4.964E+04
C10H22-2 + O2 = C10H21-2G + HO2 2.000E+13
0.00 4.964E+04
C10H22-2 + O2 = C10H21-2H + HO2 2.000E+13
0.00 4.964E+04
C10H22-2 + O2 = C10H21-2I + HO2 3.000E+13
0.00 5.280E+04
!
!
C10H22-2 + C2H5 = C10H21-2A + C2H6 1.000E+11
0.00 1.340E+04
C10H22-2 + C2H5 = C10H21-2B + C2H6 1.000E+11
0.00 7.900E+03
C10H22-2 + C2H5 = C10H21-2C + C2H6 5.000E+10
0.00 1.040E+04
C10H22-2 + C2H5 = C10H21-2D + C2H6 5.000E+10
0.00 1.040E+04
C10H22-2 + C2H5 = C10H21-2E + C2H6 5.000E+10
0.00 1.040E+04
C10H22-2 + C2H5 = C10H21-2F + C2H6 5.000E+10
0.00 1.040E+04
C10H22-2 + C2H5 = C10H21-2G + C2H6 5.000E+10
0.00 1.040E+04
C10H22-2 + C2H5 = C10H21-2H + C2H6 5.000E+10
0.00 1.040E+04
C10H22-2 + C2H5 = C10H21-2I + C2H6 5.000E+10
0.00 1.340E+04
!
!
C10H22-2 + C2H3 = C10H21-2A + C2H4 1.000E+12
0.00 1.800E+04
C10H22-2 + C2H3 = C10H21-2B + C2H4 2.000E+11
0.00 1.430E+04
C10H22-2 + C2H3 = C10H21-2C + C2H4 4.000E+11
0.00 1.680E+04
C10H22-2 + C2H3 = C10H21-2D + C2H4 4.000E+11
0.00 1.680E+04
C10H22-2 + C2H3 = C10H21-2E + C2H4 4.000E+11
0.00 1.680E+04
C10H22-2 + C2H3 = C10H21-2F + C2H4 4.000E+11
0.00 1.680E+04
C10H22-2 + C2H3 = C10H21-2G + C2H4 4.000E+11
0.00 1.680E+04
C10H22-2 + C2H3 = C10H21-2H + C2H4 4.000E+11
0.00 1.680E+04
C10H22-2 + C2H3 = C10H21-2I + C2H4 5.000E+11
0.00 1.800E+04
!
!
C10H22-2 + CH3O2 = C10H21-2A + CH3O2H 1.386E+00
3.97 1.828E+04
C10H22-2 + CH3O2 = C10H21-2B + CH3O2H 2.060E+02
3.12 1.319E+04
C10H22-2 + CH3O2 = C10H21-2C + CH3O2H 1.0185E+01
3.58 1.481E+04
C10H22-2 + CH3O2 = C10H21-2D + CH3O2H 1.0185E+01
3.58 1.481E+04
C10H22-2 + CH3O2 = C10H21-2E + CH3O2H 1.0185E+01
3.58 1.481E+04
C10H22-2 + CH3O2 = C10H21-2F + CH3O2H 1.0185E+01
3.58 1.481E+04
C10H22-2 + CH3O2 = C10H21-2G + CH3O2H 1.0185E+01
3.58 1.481E+04
C10H22-2 + CH3O2 = C10H21-2H + CH3O2H 1.0185E+01
3.58 1.481E+04
C10H22-2 + CH3O2 = C10H21-2I + CH3O2H 6.930E-01
3.97 1.828E+04
!
!
C10H22-2 + C10H21-2A = C10H21-2B + C10H22-2
2.500E+10 0.00 7.900E+03
REV / 1.500E+11 0.00 1.230E+04 /
C10H22-2 + C10H21-2A = C10H21-2C + C10H22-2
5.000E+10 0.00 1.040E+04
REV / 1.500E+11 0.00 1.230E+04 /
C10H22-2 + C10H21-2A = C10H21-2D + C10H22-2
5.000E+10 0.00 1.040E+04
REV / 1.500E+11 0.00 1.230E+04 /
C10H22-2 + C10H21-2A = C10H21-2E + C10H22-2
5.000E+10 0.00 1.040E+04
REV / 1.500E+11 0.00 1.230E+04 /
C10H22-2 + C10H21-2A = C10H21-2F + C10H22-2
5.000E+10 0.00 1.230E+04
REV / 1.500E+11 0.00 1.040E+04 /
C10H22-2 + C10H21-2A = C10H21-2G + C10H22-2
5.000E+10 0.00 1.230E+04
REV / 1.500E+11 0.00 1.040E+04 /
C10H22-2 + C10H21-2A = C10H21-2H + C10H22-2
5.000E+10 0.00 1.230E+04
REV / 1.500E+11 0.00 1.040E+04 /
C10H22-2 + C10H21-2A = C10H21-2I + C10H22-2
7.500E+10 0.00 1.230E+04
REV / 1.500E+11 0.00 1.230E+04 /
!
!
C10H22-2 + C10H21-2B = C10H21-2C + C10H22-2
5.000E+10 0.00 1.040E+04
REV / 2.500E+10 0.00 7.900E+03 /
C10H22-2 + C10H21-2B = C10H21-2D + C10H22-2
5.000E+10 0.00 1.040E+04
REV / 2.500E+10 0.00 7.900E+03 /
C10H22-2 + C10H21-2B = C10H21-2E + C10H22-2
5.000E+10 0.00 1.040E+04
REV / 2.500E+10 0.00 7.900E+03 /
C10H22-2 + C10H21-2B = C10H21-2F + C10H22-2
5.000E+10 0.00 1.040E+04
REV / 2.500E+10 0.00 7.900E+03 /
C10H22-2 + C10H21-2B = C10H21-2G + C10H22-2
5.000E+10 0.00 1.040E+04
REV / 2.500E+10 0.00 7.900E+03 /
C10H22-2 + C10H21-2B = C10H21-2H + C10H22-2
5.000E+10 0.00 1.040E+04
REV / 2.500E+10 0.00 7.900E+03 /
C10H22-2 + C10H21-2B = C10H21-2I + C10H22-2
7.500E+10 0.00 1.230E+04
REV / 2.500E+10 0.00 7.900E+03 /
!
!
C10H22-2 + C10H21-2C = C10H21-2D + C10H22-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C10H22-2 + C10H21-2C = C10H21-2E + C10H22-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C10H22-2 + C10H21-2C = C10H21-2F + C10H22-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C10H22-2 + C10H21-2C = C10H21-2G + C10H22-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C10H22-2 + C10H21-2C = C10H21-2H + C10H22-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C10H22-2 + C10H21-2C = C10H21-2I + C10H22-2
7.500E+10 0.00 1.230E+04
REV / 5.000E+10 0.00 1.040E+04 /
!
!
C10H22-2 + C10H21-2D = C10H21-2E + C10H22-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C10H22-2 + C10H21-2D = C10H21-2F + C10H22-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C10H22-2 + C10H21-2D = C10H21-2G + C10H22-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C10H22-2 + C10H21-2D = C10H21-2H + C10H22-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C10H22-2 + C10H21-2D = C10H21-2I + C10H22-2
7.500E+10 0.00 1.230E+04
REV / 5.000E+10 0.00 1.040E+04 /
!
!
C10H22-2 + C10H21-2E = C10H21-2F + C10H22-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C10H22-2 + C10H21-2E = C10H21-2G + C10H22-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C10H22-2 + C10H21-2E = C10H21-2H + C10H22-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C10H22-2 + C10H21-2E = C10H21-2I + C10H22-2
7.500E+10 0.00 1.230E+04
REV / 5.000E+10 0.00 1.040E+04 /
!
!
C10H22-2 + C10H21-2F = C10H21-2G + C10H22-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C10H22-2 + C10H21-2F = C10H21-2H + C10H22-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C10H22-2 + C10H21-2F = C10H21-2I + C10H22-2
7.500E+10 0.00 1.230E+04
REV / 5.000E+10 0.00 1.040E+04 /
!
C10H22-2 + C10H21-2G = C10H21-2H + C10H22-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C10H22-2 + C10H21-2G = C10H21-2I + C10H22-2
7.500E+10 0.00 1.230E+04
REV / 5.000E+10 0.00 1.040E+04 /
!
C10H22-2 + C10H21-2H = C10H21-2I + C10H22-2
7.500E+10 0.00 1.230E+04
REV / 5.000E+10 0.00 1.040E+04 /
!
C10H22-2 + C10H21OO-1-2 = C10H21-2A + C10H21OOH-1-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-2-2 = C10H21-2A + C10H21OOH-2-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-3-2 = C10H21-2A + C10H21OOH-3-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-4-2 = C10H21-2A + C10H21OOH-4-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-5-2 = C10H21-2A + C10H21OOH-5-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-6-2 = C10H21-2A + C10H21OOH-6-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-7-2 = C10H21-2A + C10H21OOH-7-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-8-2 = C10H21-2A + C10H21OOH-8-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-9-2 = C10H21-2A + C10H21OOH-9-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C10H22-2 + C10H21OO-1-2 = C10H21-2B + C10H21OOH-1-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-2-2 = C10H21-2B + C10H21OOH-2-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-3-2 = C10H21-2B + C10H21OOH-3-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-4-2 = C10H21-2B + C10H21OOH-4-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-5-2 = C10H21-2B + C10H21OOH-5-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-6-2 = C10H21-2B + C10H21OOH-6-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-7-2 = C10H21-2B + C10H21OOH-7-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-8-2 = C10H21-2B + C10H21OOH-8-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-9-2 = C10H21-2B + C10H21OOH-9-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C10H22-2 + C10H21OO-1-2 = C10H21-2C + C10H21OOH-1-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-2-2 = C10H21-2C + C10H21OOH-2-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-3-2 = C10H21-2C + C10H21OOH-3-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-4-2 = C10H21-2C + C10H21OOH-4-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-5-2 = C10H21-2C + C10H21OOH-5-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-6-2 = C10H21-2C + C10H21OOH-6-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-7-2 = C10H21-2C + C10H21OOH-7-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-8-2 = C10H21-2C + C10H21OOH-8-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-9-2 = C10H21-2C + C10H21OOH-9-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C10H22-2 + C10H21OO-1-2 = C10H21-2D + C10H21OOH-1-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-2-2 = C10H21-2D + C10H21OOH-2-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-3-2 = C10H21-2D + C10H21OOH-3-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-4-2 = C10H21-2D + C10H21OOH-4-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-5-2 = C10H21-2D + C10H21OOH-5-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-6-2 = C10H21-2D + C10H21OOH-6-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-7-2 = C10H21-2D + C10H21OOH-7-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-8-2 = C10H21-2D + C10H21OOH-8-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-9-2 = C10H21-2D + C10H21OOH-9-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C10H22-2 + C10H21OO-1-2 = C10H21-2E + C10H21OOH-1-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-2-2 = C10H21-2E + C10H21OOH-2-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-3-2 = C10H21-2E + C10H21OOH-3-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-4-2 = C10H21-2E + C10H21OOH-4-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-5-2 = C10H21-2E + C10H21OOH-5-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-6-2 = C10H21-2E + C10H21OOH-6-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-7-2 = C10H21-2E + C10H21OOH-7-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-8-2 = C10H21-2E + C10H21OOH-8-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-9-2 = C10H21-2E + C10H21OOH-9-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C10H22-2 + C10H21OO-1-2 = C10H21-2F + C10H21OOH-1-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-2-2 = C10H21-2F + C10H21OOH-2-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-3-2 = C10H21-2F + C10H21OOH-3-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-4-2 = C10H21-2F + C10H21OOH-4-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-5-2 = C10H21-2F + C10H21OOH-5-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-6-2 = C10H21-2F + C10H21OOH-6-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-7-2 = C10H21-2F + C10H21OOH-7-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-8-2 = C10H21-2F + C10H21OOH-8-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-9-2 = C10H21-2F + C10H21OOH-9-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C10H22-2 + C10H21OO-1-2 = C10H21-2G + C10H21OOH-1-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-2-2 = C10H21-2G + C10H21OOH-2-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-3-2 = C10H21-2G + C10H21OOH-3-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-4-2 = C10H21-2G + C10H21OOH-4-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-5-2 = C10H21-2G + C10H21OOH-5-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-6-2 = C10H21-2G + C10H21OOH-6-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-7-2 = C10H21-2G + C10H21OOH-7-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-8-2 = C10H21-2G + C10H21OOH-8-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-9-2 = C10H21-2G + C10H21OOH-9-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C10H22-2 + C10H21OO-1-2 = C10H21-2H + C10H21OOH-1-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-2-2 = C10H21-2H + C10H21OOH-2-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-3-2 = C10H21-2H + C10H21OOH-3-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-4-2 = C10H21-2H + C10H21OOH-4-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-5-2 = C10H21-2H + C10H21OOH-5-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-6-2 = C10H21-2H + C10H21OOH-6-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-7-2 = C10H21-2H + C10H21OOH-7-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-8-2 = C10H21-2H + C10H21OOH-8-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-9-2 = C10H21-2H + C10H21OOH-9-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C10H22-2 + C10H21OO-1-2 = C10H21-2I + C10H21OOH-1-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-2-2 = C10H21-2I + C10H21OOH-2-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-3-2 = C10H21-2I + C10H21OOH-3-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-4-2 = C10H21-2I + C10H21OOH-4-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-5-2 = C10H21-2I + C10H21OOH-5-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-6-2 = C10H21-2I + C10H21OOH-6-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-7-2 = C10H21-2I + C10H21OOH-7-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-8-2 = C10H21-2I + C10H21OOH-8-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C10H22-2 + C10H21OO-9-2 = C10H21-2I + C10H21OOH-9-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
!
!
!
!
!
!
! 2-METHYLDECANE
!
!
!
!
!
! CLASS 2 H ATOM ABSTRACTION FROM FUEL
C11H24-2 + H = C11H23-2A + H2 1.330E+06
2.54 6.756E+03
C11H24-2 + H = C11H23-2B + H2 6.020E+05
2.40 2.583E+03
C11H24-2 + H = C11H23-2C + H2 1.300E+06
2.40 4.471E+03
C11H24-2 + H = C11H23-2D + H2 1.300E+06
2.40 4.471E+03
C11H24-2 + H = C11H23-2E + H2 1.300E+06
2.40 4.471E+03
C11H24-2 + H = C11H23-2F + H2 1.300E+06
2.40 4.471E+03
C11H24-2 + H = C11H23-2G + H2 1.300E+06
2.40 4.471E+03
C11H24-2 + H = C11H23-2H + H2 1.300E+06
2.40 4.471E+03
C11H24-2 + H = C11H23-2I + H2 1.300E+06
2.40 4.471E+03
C11H24-2 + H = C11H23-2J + H2 6.660E+05
2.54 6.756E+03
!
!
C11H24-2 + O = C11H23-2A + OH 1.960E+06
2.43 4.750E+03
C11H24-2 + O = C11H23-2B + OH 3.830E+05
2.41 1.140E+03
C11H24-2 + O = C11H23-2C + OH 5.520E+05
2.45 2.830E+03
C11H24-2 + O = C11H23-2D + OH 5.520E+05
2.45 2.830E+03
C11H24-2 + O = C11H23-2E + OH 5.520E+05
2.45 2.830E+03
C11H24-2 + O = C11H23-2F + OH 5.520E+05
2.45 2.830E+03
C11H24-2 + O = C11H23-2G + OH 5.520E+05
2.45 2.830E+03
C11H24-2 + O = C11H23-2H + OH 5.520E+05
2.45 2.830E+03
C11H24-2 + O = C11H23-2I + OH 5.520E+05
2.45 2.830E+03
C11H24-2 + O = C11H23-2J + OH 9.810E+05
2.43 4.750E+03
!
!
C11H24-2 + OH = C11H23-2A + H2O 1.056E+10
0.97 1.590E+03
C11H24-2 + OH = C11H23-2B + H2O 5.730E+10
0.51 6.300E+01
C11H24-2 + OH = C11H23-2C + H2O 4.680E+07
1.61 -3.500E+01
C11H24-2 + OH = C11H23-2D + H2O 4.680E+07
1.61 -3.500E+01
C11H24-2 + OH = C11H23-2E + H2O 4.680E+07
1.61 -3.500E+01
C11H24-2 + OH = C11H23-2F + H2O 4.680E+07
1.61 -3.500E+01
C11H24-2 + OH = C11H23-2G + H2O 4.680E+07
1.61 -3.500E+01
C11H24-2 + OH = C11H23-2H + H2O 4.680E+07
1.61 -3.500E+01
C11H24-2 + OH = C11H23-2I + H2O 4.680E+07
1.61 -3.500E+01
C11H24-2 + OH = C11H23-2J + H2O 5.280E+09
0.97 1.590E+03
!
!
C11H24-2 + CH3 = C11H23-2A + CH4 9.040E-01
3.65 7.154E+03
C11H24-2 + CH3 = C11H23-2B + CH4 6.010E-10
6.36 8.930E+02
C11H24-2 + CH3 = C11H23-2C + CH4 1.510E+00
3.46 5.481E+03
C11H24-2 + CH3 = C11H23-2D + CH4 1.510E+00
3.46 5.481E+03
C11H24-2 + CH3 = C11H23-2E + CH4 1.510E+00
3.46 5.481E+03
C11H24-2 + CH3 = C11H23-2F + CH4 1.510E+00
3.46 5.481E+03
C11H24-2 + CH3 = C11H23-2G + CH4 1.510E+00
3.46 5.481E+03
C11H24-2 + CH3 = C11H23-2H + CH4 1.510E+00
3.46 5.481E+03
C11H24-2 + CH3 = C11H23-2I + CH4 1.510E+00
3.46 5.481E+03
C11H24-2 + CH3 = C11H23-2J + CH4 4.520E-01
3.65 7.154E+03
!
!
C11H24-2 + HO2 = C11H23-2A + H2O2 4.080E+01
3.59 1.716E+04
C11H24-2 + HO2 = C11H23-2B + H2O2 6.500E+02
3.01 1.209E+04
C11H24-2 + HO2 = C11H23-2C + H2O2 6.320E+01
3.37 1.372E+04
C11H24-2 + HO2 = C11H23-2D + H2O2 6.320E+01
3.37 1.372E+04
C11H24-2 + HO2 = C11H23-2E + H2O2 6.320E+01
3.37 1.372E+04
C11H24-2 + HO2 = C11H23-2F + H2O2 6.320E+01
3.37 1.372E+04
C11H24-2 + HO2 = C11H23-2G + H2O2 6.320E+01
3.37 1.372E+04
C11H24-2 + HO2 = C11H23-2H + H2O2 6.320E+01
3.37 1.372E+04
C11H24-2 + HO2 = C11H23-2I + H2O2 6.320E+01
3.37 1.372E+04
C11H24-2 + HO2 = C11H23-2J + H2O2 2.040E+01
3.59 1.716E+04
!
!
C11H24-2 + CH3O = C11H23-2A + CH3OH 4.338E+11
0.00 6.548E+03
C11H24-2 + CH3O = C11H23-2B + CH3OH 2.290E+10
0.00 2.873E+03
C11H24-2 + CH3O = C11H23-2C + CH3OH 1.450E+11
0.00 4.571E+03
C11H24-2 + CH3O = C11H23-2D + CH3OH 1.450E+11
0.00 4.571E+03
C11H24-2 + CH3O = C11H23-2E + CH3OH 1.450E+11
0.00 4.571E+03
C11H24-2 + CH3O = C11H23-2F + CH3OH 1.450E+11
0.00 4.571E+03
C11H24-2 + CH3O = C11H23-2G + CH3OH 1.450E+11
0.00 4.571E+03
C11H24-2 + CH3O = C11H23-2H + CH3OH 1.450E+11
0.00 4.571E+03
C11H24-2 + CH3O = C11H23-2I + CH3OH 1.450E+11
0.00 4.571E+03
C11H24-2 + CH3O = C11H23-2J + CH3OH 2.169E+11
0.00 6.548E+03
!
!
C11H24-2 + O2 = C11H23-2A + HO2 6.000E+13
0.00 5.229E+04
C11H24-2 + O2 = C11H23-2B + HO2 1.000E+13
0.00 4.820E+04
C11H24-2 + O2 = C11H23-2C + HO2 2.000E+13
0.00 4.964E+04
C11H24-2 + O2 = C11H23-2D + HO2 2.000E+13
0.00 4.964E+04
C11H24-2 + O2 = C11H23-2E + HO2 2.000E+13
0.00 4.964E+04
C11H24-2 + O2 = C11H23-2F + HO2 2.000E+13
0.00 4.964E+04
C11H24-2 + O2 = C11H23-2G + HO2 2.000E+13
0.00 4.964E+04
C11H24-2 + O2 = C11H23-2H + HO2 2.000E+13
0.00 4.964E+04
C11H24-2 + O2 = C11H23-2I + HO2 2.000E+13
0.00 4.964E+04
C11H24-2 + O2 = C11H23-2J + HO2 3.000E+13
0.00 5.280E+04
!
!
C11H24-2 + C2H5 = C11H23-2A + C2H6 1.000E+11
0.00 1.340E+04
C11H24-2 + C2H5 = C11H23-2B + C2H6 1.000E+11
0.00 7.900E+03
C11H24-2 + C2H5 = C11H23-2C + C2H6 5.000E+10
0.00 1.040E+04
C11H24-2 + C2H5 = C11H23-2D + C2H6 5.000E+10
0.00 1.040E+04
C11H24-2 + C2H5 = C11H23-2E + C2H6 5.000E+10
0.00 1.040E+04
C11H24-2 + C2H5 = C11H23-2F + C2H6 5.000E+10
0.00 1.040E+04
C11H24-2 + C2H5 = C11H23-2G + C2H6 5.000E+10
0.00 1.040E+04
C11H24-2 + C2H5 = C11H23-2H + C2H6 5.000E+10
0.00 1.040E+04
C11H24-2 + C2H5 = C11H23-2I + C2H6 5.000E+10
0.00 1.040E+04
C11H24-2 + C2H5 = C11H23-2J + C2H6 5.000E+10
0.00 1.340E+04
!
!
C11H24-2 + C2H3 = C11H23-2A + C2H4 1.000E+12
0.00 1.800E+04
C11H24-2 + C2H3 = C11H23-2B + C2H4 2.000E+11
0.00 1.430E+04
C11H24-2 + C2H3 = C11H23-2C + C2H4 4.000E+11
0.00 1.680E+04
C11H24-2 + C2H3 = C11H23-2D + C2H4 4.000E+11
0.00 1.680E+04
C11H24-2 + C2H3 = C11H23-2E + C2H4 4.000E+11
0.00 1.680E+04
C11H24-2 + C2H3 = C11H23-2F + C2H4 4.000E+11
0.00 1.680E+04
C11H24-2 + C2H3 = C11H23-2G + C2H4 4.000E+11
0.00 1.680E+04
C11H24-2 + C2H3 = C11H23-2H + C2H4 4.000E+11
0.00 1.680E+04
C11H24-2 + C2H3 = C11H23-2I + C2H4 4.000E+11
0.00 1.680E+04
C11H24-2 + C2H3 = C11H23-2J + C2H4 5.000E+11
0.00 1.800E+04
!
!
C11H24-2 + CH3O2 = C11H23-2A + CH3O2H 1.386E+00
3.97 1.828E+04
C11H24-2 + CH3O2 = C11H23-2B + CH3O2H 2.060E+02
3.12 1.319E+04
C11H24-2 + CH3O2 = C11H23-2C + CH3O2H 1.0185E+01
3.58 1.481E+04
C11H24-2 + CH3O2 = C11H23-2D + CH3O2H 1.0185E+01
3.58 1.481E+04
C11H24-2 + CH3O2 = C11H23-2E + CH3O2H 1.0185E+01
3.58 1.481E+04
C11H24-2 + CH3O2 = C11H23-2F + CH3O2H 1.0185E+01
3.58 1.481E+04
C11H24-2 + CH3O2 = C11H23-2G + CH3O2H 1.0185E+01
3.58 1.481E+04
C11H24-2 + CH3O2 = C11H23-2H + CH3O2H 1.0185E+01
3.58 1.481E+04
C11H24-2 + CH3O2 = C11H23-2I + CH3O2H 1.0185E+01
3.58 1.481E+04
C11H24-2 + CH3O2 = C11H23-2J + CH3O2H 6.930E-01
3.97 1.828E+04
!
!
C11H24-2 + C11H23-2A = C11H23-2B + C11H24-2
2.500E+10 0.00 7.900E+03
REV / 1.500E+11 0.00 1.230E+04 /
C11H24-2 + C11H23-2A = C11H23-2C + C11H24-2
5.000E+10 0.00 1.040E+04
REV / 1.500E+11 0.00 1.230E+04 /
C11H24-2 + C11H23-2A = C11H23-2D + C11H24-2
5.000E+10 0.00 1.040E+04
REV / 1.500E+11 0.00 1.230E+04 /
C11H24-2 + C11H23-2A = C11H23-2E + C11H24-2
5.000E+10 0.00 1.040E+04
REV / 1.500E+11 0.00 1.230E+04 /
C11H24-2 + C11H23-2A = C11H23-2F + C11H24-2
5.000E+10 0.00 1.230E+04
REV / 1.500E+11 0.00 1.040E+04 /
C11H24-2 + C11H23-2A = C11H23-2G + C11H24-2
5.000E+10 0.00 1.230E+04
REV / 1.500E+11 0.00 1.040E+04 /
C11H24-2 + C11H23-2A = C11H23-2H + C11H24-2
5.000E+10 0.00 1.230E+04
REV / 1.500E+11 0.00 1.040E+04 /
C11H24-2 + C11H23-2A = C11H23-2I + C11H24-2
5.000E+10 0.00 1.230E+04
REV / 1.500E+11 0.00 1.040E+04 /
C11H24-2 + C11H23-2A = C11H23-2J + C11H24-2
7.500E+10 0.00 1.230E+04
REV / 1.500E+11 0.00 1.230E+04 /
!
!
C11H24-2 + C11H23-2B = C11H23-2C + C11H24-2
5.000E+10 0.00 1.040E+04
REV / 2.500E+10 0.00 7.900E+03 /
C11H24-2 + C11H23-2B = C11H23-2D + C11H24-2
5.000E+10 0.00 1.040E+04
REV / 2.500E+10 0.00 7.900E+03 /
C11H24-2 + C11H23-2B = C11H23-2E + C11H24-2
5.000E+10 0.00 1.040E+04
REV / 2.500E+10 0.00 7.900E+03 /
C11H24-2 + C11H23-2B = C11H23-2F + C11H24-2
5.000E+10 0.00 1.040E+04
REV / 2.500E+10 0.00 7.900E+03 /
C11H24-2 + C11H23-2B = C11H23-2G + C11H24-2
5.000E+10 0.00 1.040E+04
REV / 2.500E+10 0.00 7.900E+03 /
C11H24-2 + C11H23-2B = C11H23-2H + C11H24-2
5.000E+10 0.00 1.040E+04
REV / 2.500E+10 0.00 7.900E+03 /
C11H24-2 + C11H23-2B = C11H23-2I + C11H24-2
5.000E+10 0.00 1.040E+04
REV / 2.500E+10 0.00 7.900E+03 /
C11H24-2 + C11H23-2B = C11H23-2J + C11H24-2
7.500E+10 0.00 1.230E+04
REV / 2.500E+10 0.00 7.900E+03 /
!
!
C11H24-2 + C11H23-2C = C11H23-2D + C11H24-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C11H24-2 + C11H23-2C = C11H23-2E + C11H24-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C11H24-2 + C11H23-2C = C11H23-2F + C11H24-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C11H24-2 + C11H23-2C = C11H23-2G + C11H24-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C11H24-2 + C11H23-2C = C11H23-2H + C11H24-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C11H24-2 + C11H23-2C = C11H23-2I + C11H24-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C11H24-2 + C11H23-2C = C11H23-2J + C11H24-2
7.500E+10 0.00 1.230E+04
REV / 5.000E+10 0.00 1.040E+04 /
!
!
C11H24-2 + C11H23-2D = C11H23-2E + C11H24-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C11H24-2 + C11H23-2D = C11H23-2F + C11H24-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C11H24-2 + C11H23-2D = C11H23-2G + C11H24-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C11H24-2 + C11H23-2D = C11H23-2H + C11H24-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C11H24-2 + C11H23-2D = C11H23-2I + C11H24-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C11H24-2 + C11H23-2D = C11H23-2J + C11H24-2
7.500E+10 0.00 1.230E+04
REV / 5.000E+10 0.00 1.040E+04 /
!
!
C11H24-2 + C11H23-2E = C11H23-2F + C11H24-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C11H24-2 + C11H23-2E = C11H23-2G + C11H24-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C11H24-2 + C11H23-2E = C11H23-2H + C11H24-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C11H24-2 + C11H23-2E = C11H23-2I + C11H24-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C11H24-2 + C11H23-2E = C11H23-2J + C11H24-2
7.500E+10 0.00 1.230E+04
REV / 5.000E+10 0.00 1.040E+04 /
!
!
C11H24-2 + C11H23-2F = C11H23-2G + C11H24-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C11H24-2 + C11H23-2F = C11H23-2H + C11H24-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C11H24-2 + C11H23-2F = C11H23-2I + C11H24-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C11H24-2 + C11H23-2F = C11H23-2J + C11H24-2
7.500E+10 0.00 1.230E+04
REV / 5.000E+10 0.00 1.040E+04 /
!
C11H24-2 + C11H23-2G = C11H23-2H + C11H24-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C11H24-2 + C11H23-2G = C11H23-2I + C11H24-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C11H24-2 + C11H23-2G = C11H23-2J + C11H24-2
7.500E+10 0.00 1.230E+04
REV / 5.000E+10 0.00 1.040E+04 /
!
C11H24-2 + C11H23-2H = C11H23-2I + C11H24-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C11H24-2 + C11H23-2H = C11H23-2J + C11H24-2
7.500E+10 0.00 1.230E+04
REV / 5.000E+10 0.00 1.040E+04 /
!
C11H24-2 + C11H23-2I = C11H23-2J + C11H24-2
7.500E+10 0.00 1.230E+04
REV / 5.000E+10 0.00 1.040E+04 /
!
C11H24-2 + C11H23OO-1-2 = C11H23-2A + C11H23OOH-1-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-2-2 = C11H23-2A + C11H23OOH-2-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-3-2 = C11H23-2A + C11H23OOH-3-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-4-2 = C11H23-2A + C11H23OOH-4-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-5-2 = C11H23-2A + C11H23OOH-5-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-6-2 = C11H23-2A + C11H23OOH-6-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-7-2 = C11H23-2A + C11H23OOH-7-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-8-2 = C11H23-2A + C11H23OOH-8-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-9-2 = C11H23-2A + C11H23OOH-9-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-10-2 = C11H23-2A + C11H23OOH-10-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C11H24-2 + C11H23OO-1-2 = C11H23-2B + C11H23OOH-1-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-2-2 = C11H23-2B + C11H23OOH-2-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-3-2 = C11H23-2B + C11H23OOH-3-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-4-2 = C11H23-2B + C11H23OOH-4-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-5-2 = C11H23-2B + C11H23OOH-5-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-6-2 = C11H23-2B + C11H23OOH-6-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-7-2 = C11H23-2B + C11H23OOH-7-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-8-2 = C11H23-2B + C11H23OOH-8-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-9-2 = C11H23-2B + C11H23OOH-9-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-10-2 = C11H23-2B + C11H23OOH-10-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C11H24-2 + C11H23OO-1-2 = C11H23-2C + C11H23OOH-1-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-2-2 = C11H23-2C + C11H23OOH-2-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-3-2 = C11H23-2C + C11H23OOH-3-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-4-2 = C11H23-2C + C11H23OOH-4-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-5-2 = C11H23-2C + C11H23OOH-5-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-6-2 = C11H23-2C + C11H23OOH-6-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-7-2 = C11H23-2C + C11H23OOH-7-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-8-2 = C11H23-2C + C11H23OOH-8-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-9-2 = C11H23-2C + C11H23OOH-9-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-10-2 = C11H23-2C + C11H23OOH-10-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C11H24-2 + C11H23OO-1-2 = C11H23-2D + C11H23OOH-1-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-2-2 = C11H23-2D + C11H23OOH-2-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-3-2 = C11H23-2D + C11H23OOH-3-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-4-2 = C11H23-2D + C11H23OOH-4-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-5-2 = C11H23-2D + C11H23OOH-5-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-6-2 = C11H23-2D + C11H23OOH-6-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-7-2 = C11H23-2D + C11H23OOH-7-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-8-2 = C11H23-2D + C11H23OOH-8-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-9-2 = C11H23-2D + C11H23OOH-9-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-10-2 = C11H23-2D + C11H23OOH-10-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C11H24-2 + C11H23OO-1-2 = C11H23-2E + C11H23OOH-1-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-2-2 = C11H23-2E + C11H23OOH-2-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-3-2 = C11H23-2E + C11H23OOH-3-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-4-2 = C11H23-2E + C11H23OOH-4-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-5-2 = C11H23-2E + C11H23OOH-5-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-6-2 = C11H23-2E + C11H23OOH-6-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-7-2 = C11H23-2E + C11H23OOH-7-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-8-2 = C11H23-2E + C11H23OOH-8-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-9-2 = C11H23-2E + C11H23OOH-9-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-10-2 = C11H23-2E + C11H23OOH-10-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C11H24-2 + C11H23OO-1-2 = C11H23-2F + C11H23OOH-1-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-2-2 = C11H23-2F + C11H23OOH-2-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-3-2 = C11H23-2F + C11H23OOH-3-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-4-2 = C11H23-2F + C11H23OOH-4-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-5-2 = C11H23-2F + C11H23OOH-5-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-6-2 = C11H23-2F + C11H23OOH-6-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-7-2 = C11H23-2F + C11H23OOH-7-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-8-2 = C11H23-2F + C11H23OOH-8-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-9-2 = C11H23-2F + C11H23OOH-9-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-10-2 = C11H23-2F + C11H23OOH-10-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C11H24-2 + C11H23OO-1-2 = C11H23-2G + C11H23OOH-1-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-2-2 = C11H23-2G + C11H23OOH-2-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-3-2 = C11H23-2G + C11H23OOH-3-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-4-2 = C11H23-2G + C11H23OOH-4-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-5-2 = C11H23-2G + C11H23OOH-5-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-6-2 = C11H23-2G + C11H23OOH-6-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-7-2 = C11H23-2G + C11H23OOH-7-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-8-2 = C11H23-2G + C11H23OOH-8-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-9-2 = C11H23-2G + C11H23OOH-9-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-10-2 = C11H23-2G + C11H23OOH-10-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C11H24-2 + C11H23OO-1-2 = C11H23-2H + C11H23OOH-1-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-2-2 = C11H23-2H + C11H23OOH-2-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-3-2 = C11H23-2H + C11H23OOH-3-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-4-2 = C11H23-2H + C11H23OOH-4-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-5-2 = C11H23-2H + C11H23OOH-5-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-6-2 = C11H23-2H + C11H23OOH-6-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-7-2 = C11H23-2H + C11H23OOH-7-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-8-2 = C11H23-2H + C11H23OOH-8-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-9-2 = C11H23-2H + C11H23OOH-9-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-10-2 = C11H23-2H + C11H23OOH-10-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C11H24-2 + C11H23OO-1-2 = C11H23-2I + C11H23OOH-1-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-2-2 = C11H23-2I + C11H23OOH-2-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-3-2 = C11H23-2I + C11H23OOH-3-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-4-2 = C11H23-2I + C11H23OOH-4-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-5-2 = C11H23-2I + C11H23OOH-5-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-6-2 = C11H23-2I + C11H23OOH-6-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-7-2 = C11H23-2I + C11H23OOH-7-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-8-2 = C11H23-2I + C11H23OOH-8-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-9-2 = C11H23-2I + C11H23OOH-9-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-10-2 = C11H23-2I + C11H23OOH-10-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C11H24-2 + C11H23OO-1-2 = C11H23-2J + C11H23OOH-1-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-2-2 = C11H23-2J + C11H23OOH-2-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-3-2 = C11H23-2J + C11H23OOH-3-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-4-2 = C11H23-2J + C11H23OOH-4-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-5-2 = C11H23-2J + C11H23OOH-5-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-6-2 = C11H23-2J + C11H23OOH-6-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-7-2 = C11H23-2J + C11H23OOH-7-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-8-2 = C11H23-2J + C11H23OOH-8-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-9-2 = C11H23-2J + C11H23OOH-9-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C11H24-2 + C11H23OO-10-2 = C11H23-2J + C11H23OOH-10-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
! 2-METHYLUNDECANE
!
!
!
!
!
! CLASS 2 H ATOM ABSTRACTION FROM FUEL
C12H26-2 + H = C12H25-2A + H2 1.330E+06
2.54 6.756E+03
C12H26-2 + H = C12H25-2B + H2 6.020E+05
2.40 2.583E+03
C12H26-2 + H = C12H25-2C + H2 1.300E+06
2.40 4.471E+03
C12H26-2 + H = C12H25-2D + H2 1.300E+06
2.40 4.471E+03
C12H26-2 + H = C12H25-2E + H2 1.300E+06
2.40 4.471E+03
C12H26-2 + H = C12H25-2F + H2 1.300E+06
2.40 4.471E+03
C12H26-2 + H = C12H25-2G + H2 1.300E+06
2.40 4.471E+03
C12H26-2 + H = C12H25-2H + H2 1.300E+06
2.40 4.471E+03
C12H26-2 + H = C12H25-2I + H2 1.300E+06
2.40 4.471E+03
C12H26-2 + H = C12H25-2J + H2 1.300E+06
2.40 4.471E+03
C12H26-2 + H = C12H25-2K + H2 6.660E+05
2.54 6.756E+03
!
!
C12H26-2 + O = C12H25-2A + OH 1.960E+06
2.43 4.750E+03
C12H26-2 + O = C12H25-2B + OH 3.830E+05
2.41 1.140E+03
C12H26-2 + O = C12H25-2C + OH 5.520E+05
2.45 2.830E+03
C12H26-2 + O = C12H25-2D + OH 5.520E+05
2.45 2.830E+03
C12H26-2 + O = C12H25-2E + OH 5.520E+05
2.45 2.830E+03
C12H26-2 + O = C12H25-2F + OH 5.520E+05
2.45 2.830E+03
C12H26-2 + O = C12H25-2G + OH 5.520E+05
2.45 2.830E+03
C12H26-2 + O = C12H25-2H + OH 5.520E+05
2.45 2.830E+03
C12H26-2 + O = C12H25-2I + OH 5.520E+05
2.45 2.830E+03
C12H26-2 + O = C12H25-2J + OH 5.520E+05
2.45 2.830E+03
C12H26-2 + O = C12H25-2K + OH 9.810E+05
2.43 4.750E+03
!
!
C12H26-2 + OH = C12H25-2A + H2O 1.056E+10
0.97 1.590E+03
C12H26-2 + OH = C12H25-2B + H2O 5.730E+10
0.51 6.300E+01
C12H26-2 + OH = C12H25-2C + H2O 4.680E+07
1.61 -3.500E+01
C12H26-2 + OH = C12H25-2D + H2O 4.680E+07
1.61 -3.500E+01
C12H26-2 + OH = C12H25-2E + H2O 4.680E+07
1.61 -3.500E+01
C12H26-2 + OH = C12H25-2F + H2O 4.680E+07
1.61 -3.500E+01
C12H26-2 + OH = C12H25-2G + H2O 4.680E+07
1.61 -3.500E+01
C12H26-2 + OH = C12H25-2H + H2O 4.680E+07
1.61 -3.500E+01
C12H26-2 + OH = C12H25-2I + H2O 4.680E+07
1.61 -3.500E+01
C12H26-2 + OH = C12H25-2J + H2O 4.680E+07
1.61 -3.500E+01
C12H26-2 + OH = C12H25-2K + H2O 5.280E+09
0.97 1.590E+03
!
!
C12H26-2 + CH3 = C12H25-2A + CH4 9.040E-01
3.65 7.154E+03
C12H26-2 + CH3 = C12H25-2B + CH4 6.010E-10
6.36 8.930E+02
C12H26-2 + CH3 = C12H25-2C + CH4 1.510E+00
3.46 5.481E+03
C12H26-2 + CH3 = C12H25-2D + CH4 1.510E+00
3.46 5.481E+03
C12H26-2 + CH3 = C12H25-2E + CH4 1.510E+00
3.46 5.481E+03
C12H26-2 + CH3 = C12H25-2F + CH4 1.510E+00
3.46 5.481E+03
C12H26-2 + CH3 = C12H25-2G + CH4 1.510E+00
3.46 5.481E+03
C12H26-2 + CH3 = C12H25-2H + CH4 1.510E+00
3.46 5.481E+03
C12H26-2 + CH3 = C12H25-2I + CH4 1.510E+00
3.46 5.481E+03
C12H26-2 + CH3 = C12H25-2J + CH4 1.510E+00
3.46 5.481E+03
C12H26-2 + CH3 = C12H25-2K + CH4 4.520E-01
3.65 7.154E+03
!
!
C12H26-2 + HO2 = C12H25-2A + H2O2 4.080E+01
3.59 1.716E+04
C12H26-2 + HO2 = C12H25-2B + H2O2 6.500E+02
3.01 1.209E+04
C12H26-2 + HO2 = C12H25-2C + H2O2 6.320E+01
3.37 1.372E+04
C12H26-2 + HO2 = C12H25-2D + H2O2 6.320E+01
3.37 1.372E+04
C12H26-2 + HO2 = C12H25-2E + H2O2 6.320E+01
3.37 1.372E+04
C12H26-2 + HO2 = C12H25-2F + H2O2 6.320E+01
3.37 1.372E+04
C12H26-2 + HO2 = C12H25-2G + H2O2 6.320E+01
3.37 1.372E+04
C12H26-2 + HO2 = C12H25-2H + H2O2 6.320E+01
3.37 1.372E+04
C12H26-2 + HO2 = C12H25-2I + H2O2 6.320E+01
3.37 1.372E+04
C12H26-2 + HO2 = C12H25-2J + H2O2 6.320E+01
3.37 1.372E+04
C12H26-2 + HO2 = C12H25-2K + H2O2 2.040E+01
3.59 1.716E+04
!
!
C12H26-2 + CH3O = C12H25-2A + CH3OH 4.338E+11
0.00 6.548E+03
C12H26-2 + CH3O = C12H25-2B + CH3OH 2.290E+10
0.00 2.873E+03
C12H26-2 + CH3O = C12H25-2C + CH3OH 1.450E+11
0.00 4.571E+03
C12H26-2 + CH3O = C12H25-2D + CH3OH 1.450E+11
0.00 4.571E+03
C12H26-2 + CH3O = C12H25-2E + CH3OH 1.450E+11
0.00 4.571E+03
C12H26-2 + CH3O = C12H25-2F + CH3OH 1.450E+11
0.00 4.571E+03
C12H26-2 + CH3O = C12H25-2G + CH3OH 1.450E+11
0.00 4.571E+03
C12H26-2 + CH3O = C12H25-2H + CH3OH 1.450E+11
0.00 4.571E+03
C12H26-2 + CH3O = C12H25-2I + CH3OH 1.100E+11
0.00 5.001E+03
C12H26-2 + CH3O = C12H25-2J + CH3OH 1.100E+11
0.00 5.002E+03
C12H26-2 + CH3O = C12H25-2K + CH3OH 2.169E+11
0.00 6.548E+03
!
!
C12H26-2 + O2 = C12H25-2A + HO2 6.000E+13
0.00 5.229E+04
C12H26-2 + O2 = C12H25-2B + HO2 1.000E+13
0.00 4.820E+04
C12H26-2 + O2 = C12H25-2C + HO2 2.000E+13
0.00 4.964E+04
C12H26-2 + O2 = C12H25-2D + HO2 2.000E+13
0.00 4.964E+04
C12H26-2 + O2 = C12H25-2E + HO2 2.000E+13
0.00 4.964E+04
C12H26-2 + O2 = C12H25-2F + HO2 2.000E+13
0.00 4.964E+04
C12H26-2 + O2 = C12H25-2G + HO2 2.000E+13
0.00 4.964E+04
C12H26-2 + O2 = C12H25-2H + HO2 2.000E+13
0.00 4.964E+04
C12H26-2 + O2 = C12H25-2I + HO2 2.000E+13
0.00 4.964E+04
C12H26-2 + O2 = C12H25-2J + HO2 2.000E+13
0.00 4.964E+04
C12H26-2 + O2 = C12H25-2K + HO2 3.000E+13
0.00 5.280E+04
!
!
C12H26-2 + C2H5 = C12H25-2A + C2H6 1.000E+11
0.00 1.340E+04
C12H26-2 + C2H5 = C12H25-2B + C2H6 1.000E+11
0.00 7.900E+03
C12H26-2 + C2H5 = C12H25-2C + C2H6 5.000E+10
0.00 1.040E+04
C12H26-2 + C2H5 = C12H25-2D + C2H6 5.000E+10
0.00 1.040E+04
C12H26-2 + C2H5 = C12H25-2E + C2H6 5.000E+10
0.00 1.040E+04
C12H26-2 + C2H5 = C12H25-2F + C2H6 5.000E+10
0.00 1.040E+04
C12H26-2 + C2H5 = C12H25-2G + C2H6 5.000E+10
0.00 1.040E+04
C12H26-2 + C2H5 = C12H25-2H + C2H6 5.000E+10
0.00 1.040E+04
C12H26-2 + C2H5 = C12H25-2I + C2H6 5.000E+10
0.00 1.040E+04
C12H26-2 + C2H5 = C12H25-2J + C2H6 5.000E+10
0.00 1.040E+04
C12H26-2 + C2H5 = C12H25-2K + C2H6 5.000E+10
0.00 1.340E+04
!
!
C12H26-2 + C2H3 = C12H25-2A + C2H4 1.000E+12
0.00 1.800E+04
C12H26-2 + C2H3 = C12H25-2B + C2H4 2.000E+11
0.00 1.430E+04
C12H26-2 + C2H3 = C12H25-2C + C2H4 4.000E+11
0.00 1.680E+04
C12H26-2 + C2H3 = C12H25-2D + C2H4 4.000E+11
0.00 1.680E+04
C12H26-2 + C2H3 = C12H25-2E + C2H4 4.000E+11
0.00 1.680E+04
C12H26-2 + C2H3 = C12H25-2F + C2H4 4.000E+11
0.00 1.680E+04
C12H26-2 + C2H3 = C12H25-2G + C2H4 4.000E+11
0.00 1.680E+04
C12H26-2 + C2H3 = C12H25-2H + C2H4 4.000E+11
0.00 1.680E+04
C12H26-2 + C2H3 = C12H25-2I + C2H4 4.000E+11
0.00 1.680E+04
C12H26-2 + C2H3 = C12H25-2J + C2H4 4.000E+11
0.00 1.680E+04
C12H26-2 + C2H3 = C12H25-2K + C2H4 5.000E+11
0.00 1.800E+04
!
!
C12H26-2 + CH3O2 = C12H25-2A + CH3O2H 1.386E+00
3.97 1.828E+04
C12H26-2 + CH3O2 = C12H25-2B + CH3O2H 2.060E+02
3.12 1.319E+04
C12H26-2 + CH3O2 = C12H25-2C + CH3O2H 1.0185E+01
3.58 1.481E+04
C12H26-2 + CH3O2 = C12H25-2D + CH3O2H 1.0185E+01
3.58 1.481E+04
C12H26-2 + CH3O2 = C12H25-2E + CH3O2H 1.0185E+01
3.58 1.481E+04
C12H26-2 + CH3O2 = C12H25-2F + CH3O2H 1.0185E+01
3.58 1.481E+04
C12H26-2 + CH3O2 = C12H25-2G + CH3O2H 1.0185E+01
3.58 1.481E+04
C12H26-2 + CH3O2 = C12H25-2H + CH3O2H 1.0185E+01
3.58 1.481E+04
C12H26-2 + CH3O2 = C12H25-2I + CH3O2H 1.0185E+01
3.58 1.481E+04
C12H26-2 + CH3O2 = C12H25-2J + CH3O2H 1.0185E+01
3.58 1.481E+04
C12H26-2 + CH3O2 = C12H25-2K + CH3O2H 6.930E-01
3.97 1.828E+04
!
!
C12H26-2 + C12H25-2A = C12H25-2B + C12H26-2
2.500E+10 0.00 7.900E+03
REV / 1.500E+11 0.00 1.230E+04 /
C12H26-2 + C12H25-2A = C12H25-2C + C12H26-2
5.000E+10 0.00 1.040E+04
REV / 1.500E+11 0.00 1.230E+04 /
C12H26-2 + C12H25-2A = C12H25-2D + C12H26-2
5.000E+10 0.00 1.040E+04
REV / 1.500E+11 0.00 1.230E+04 /
C12H26-2 + C12H25-2A = C12H25-2E + C12H26-2
5.000E+10 0.00 1.040E+04
REV / 1.500E+11 0.00 1.230E+04 /
C12H26-2 + C12H25-2A = C12H25-2F + C12H26-2
5.000E+10 0.00 1.230E+04
REV / 1.500E+11 0.00 1.040E+04 /
C12H26-2 + C12H25-2A = C12H25-2G + C12H26-2
5.000E+10 0.00 1.230E+04
REV / 1.500E+11 0.00 1.040E+04 /
C12H26-2 + C12H25-2A = C12H25-2H + C12H26-2
5.000E+10 0.00 1.230E+04
REV / 1.500E+11 0.00 1.040E+04 /
C12H26-2 + C12H25-2A = C12H25-2I + C12H26-2
5.000E+10 0.00 1.230E+04
REV / 1.500E+11 0.00 1.040E+04 /
C12H26-2 + C12H25-2A = C12H25-2J + C12H26-2
5.000E+10 0.00 1.230E+04
REV / 1.500E+11 0.00 1.040E+04 /
C12H26-2 + C12H25-2A = C12H25-2K + C12H26-2
7.500E+10 0.00 1.230E+04
REV / 1.500E+11 0.00 1.230E+04 /
!
!
C12H26-2 + C12H25-2B = C12H25-2C + C12H26-2
5.000E+10 0.00 1.040E+04
REV / 2.500E+10 0.00 7.900E+03 /
C12H26-2 + C12H25-2B = C12H25-2D + C12H26-2
5.000E+10 0.00 1.040E+04
REV / 2.500E+10 0.00 7.900E+03 /
C12H26-2 + C12H25-2B = C12H25-2E + C12H26-2
5.000E+10 0.00 1.040E+04
REV / 2.500E+10 0.00 7.900E+03 /
C12H26-2 + C12H25-2B = C12H25-2F + C12H26-2
5.000E+10 0.00 1.040E+04
REV / 2.500E+10 0.00 7.900E+03 /
C12H26-2 + C12H25-2B = C12H25-2G + C12H26-2
5.000E+10 0.00 1.040E+04
REV / 2.500E+10 0.00 7.900E+03 /
C12H26-2 + C12H25-2B = C12H25-2H + C12H26-2
5.000E+10 0.00 1.040E+04
REV / 2.500E+10 0.00 7.900E+03 /
C12H26-2 + C12H25-2B = C12H25-2I + C12H26-2
5.000E+10 0.00 1.040E+04
REV / 2.500E+10 0.00 7.900E+03 /
C12H26-2 + C12H25-2B = C12H25-2J + C12H26-2
5.000E+10 0.00 1.040E+04
REV / 2.500E+10 0.00 7.900E+03 /
C12H26-2 + C12H25-2B = C12H25-2K + C12H26-2
7.500E+10 0.00 1.230E+04
REV / 2.500E+10 0.00 7.900E+03 /
!
!
C12H26-2 + C12H25-2C = C12H25-2D + C12H26-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C12H26-2 + C12H25-2C = C12H25-2E + C12H26-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C12H26-2 + C12H25-2C = C12H25-2F + C12H26-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C12H26-2 + C12H25-2C = C12H25-2G + C12H26-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C12H26-2 + C12H25-2C = C12H25-2H + C12H26-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C12H26-2 + C12H25-2C = C12H25-2I + C12H26-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C12H26-2 + C12H25-2C = C12H25-2J + C12H26-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C12H26-2 + C12H25-2C = C12H25-2K + C12H26-2
7.500E+10 0.00 1.230E+04
REV / 5.000E+10 0.00 1.040E+04 /
!
!
C12H26-2 + C12H25-2D = C12H25-2E + C12H26-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C12H26-2 + C12H25-2D = C12H25-2F + C12H26-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C12H26-2 + C12H25-2D = C12H25-2G + C12H26-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C12H26-2 + C12H25-2D = C12H25-2H + C12H26-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C12H26-2 + C12H25-2D = C12H25-2I + C12H26-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C12H26-2 + C12H25-2D = C12H25-2J + C12H26-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C12H26-2 + C12H25-2D = C12H25-2K + C12H26-2
7.500E+10 0.00 1.230E+04
REV / 5.000E+10 0.00 1.040E+04 /
!
!
C12H26-2 + C12H25-2E = C12H25-2F + C12H26-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C12H26-2 + C12H25-2E = C12H25-2G + C12H26-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C12H26-2 + C12H25-2E = C12H25-2H + C12H26-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C12H26-2 + C12H25-2E = C12H25-2I + C12H26-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C12H26-2 + C12H25-2E = C12H25-2J + C12H26-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C12H26-2 + C12H25-2E = C12H25-2K + C12H26-2
7.500E+10 0.00 1.230E+04
REV / 5.000E+10 0.00 1.040E+04 /
!
!
C12H26-2 + C12H25-2F = C12H25-2G + C12H26-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C12H26-2 + C12H25-2F = C12H25-2H + C12H26-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C12H26-2 + C12H25-2F = C12H25-2I + C12H26-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C12H26-2 + C12H25-2F = C12H25-2J + C12H26-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C12H26-2 + C12H25-2F = C12H25-2K + C12H26-2
7.500E+10 0.00 1.230E+04
REV / 5.000E+10 0.00 1.040E+04 /
!
C12H26-2 + C12H25-2G = C12H25-2H + C12H26-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C12H26-2 + C12H25-2G = C12H25-2I + C12H26-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C12H26-2 + C12H25-2G = C12H25-2J + C12H26-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C12H26-2 + C12H25-2G = C12H25-2K + C12H26-2
7.500E+10 0.00 1.230E+04
REV / 5.000E+10 0.00 1.040E+04 /
!
C12H26-2 + C12H25-2H = C12H25-2I + C12H26-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C12H26-2 + C12H25-2H = C12H25-2J + C12H26-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C12H26-2 + C12H25-2H = C12H25-2K + C12H26-2
7.500E+10 0.00 1.230E+04
REV / 5.000E+10 0.00 1.040E+04 /
!
C12H26-2 + C12H25-2I = C12H25-2J + C12H26-2
5.000E+10 0.00 1.040E+04
REV / 5.000E+10 0.00 1.040E+04 /
C12H26-2 + C12H25-2I = C12H25-2K + C12H26-2
7.500E+10 0.00 1.230E+04
REV / 5.000E+10 0.00 1.040E+04 /
!
C12H26-2 + C12H25-2J = C12H25-2K + C12H26-2
7.500E+10 0.00 1.230E+04
REV / 5.000E+10 0.00 1.040E+04 /
!
C12H26-2 + C12H25OO-1-2 = C12H25-2A + C12H25OOH-1-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-2-2 = C12H25-2A + C12H25OOH-2-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-3-2 = C12H25-2A + C12H25OOH-3-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-4-2 = C12H25-2A + C12H25OOH-4-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-5-2 = C12H25-2A + C12H25OOH-5-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-6-2 = C12H25-2A + C12H25OOH-6-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-7-2 = C12H25-2A + C12H25OOH-7-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-8-2 = C12H25-2A + C12H25OOH-8-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-9-2 = C12H25-2A + C12H25OOH-9-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-10-2 = C12H25-2A + C12H25OOH-10-2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-11-2 = C12H25-2A + C12H25OOH-11 -2
1.200E+13 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C12H26-2 + C12H25OO-1-2 = C12H25-2B + C12H25OOH-1-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-2-2 = C12H25-2B + C12H25OOH-2-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-3-2 = C12H25-2B + C12H25OOH-3-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-4-2 = C12H25-2B + C12H25OOH-4-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-5-2 = C12H25-2B + C12H25OOH-5-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-6-2 = C12H25-2B + C12H25OOH-6-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-7-2 = C12H25-2B + C12H25OOH-7-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-8-2 = C12H25-2B + C12H25OOH-8-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-9-2 = C12H25-2B + C12H25OOH-9-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-10-2 = C12H25-2B + C12H25OOH-10-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-11-2 = C12H25-2B + C12H25OOH-11-2
2.000E+12 0.00 1.600E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C12H26-2 + C12H25OO-1-2 = C12H25-2C + C12H25OOH-1-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-2-2 = C12H25-2C + C12H25OOH-2-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-3-2 = C12H25-2C + C12H25OOH-3-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-4-2 = C12H25-2C + C12H25OOH-4-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-5-2 = C12H25-2C + C12H25OOH-5-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-6-2 = C12H25-2C + C12H25OOH-6-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-7-2 = C12H25-2C + C12H25OOH-7-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-8-2 = C12H25-2C + C12H25OOH-8-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-9-2 = C12H25-2C + C12H25OOH-9-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-10-2 = C12H25-2C + C12H25OOH-10-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-11-2 = C12H25-2C + C12H25OOH-11-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C12H26-2 + C12H25OO-1-2 = C12H25-2D + C12H25OOH-1-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-2-2 = C12H25-2D + C12H25OOH-2-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-3-2 = C12H25-2D + C12H25OOH-3-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-4-2 = C12H25-2D + C12H25OOH-4-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-5-2 = C12H25-2D + C12H25OOH-5-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-6-2 = C12H25-2D + C12H25OOH-6-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-7-2 = C12H25-2D + C12H25OOH-7-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-8-2 = C12H25-2D + C12H25OOH-8-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-9-2 = C12H25-2D + C12H25OOH-9-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-10-2 = C12H25-2D + C12H25OOH-10-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-11-2 = C12H25-2D + C12H25OOH-11-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C12H26-2 + C12H25OO-1-2 = C12H25-2E + C12H25OOH-1-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-2-2 = C12H25-2E + C12H25OOH-2-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-3-2 = C12H25-2E + C12H25OOH-3-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-4-2 = C12H25-2E + C12H25OOH-4-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-5-2 = C12H25-2E + C12H25OOH-5-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-6-2 = C12H25-2E + C12H25OOH-6-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-7-2 = C12H25-2E + C12H25OOH-7-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-8-2 = C12H25-2E + C12H25OOH-8-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-9-2 = C12H25-2E + C12H25OOH-9-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-10-2 = C12H25-2E + C12H25OOH-10-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-11-2 = C12H25-2E + C12H25OOH-11-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C12H26-2 + C12H25OO-1-2 = C12H25-2F + C12H25OOH-1-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-2-2 = C12H25-2F + C12H25OOH-2-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-3-2 = C12H25-2F + C12H25OOH-3-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-4-2 = C12H25-2F + C12H25OOH-4-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-5-2 = C12H25-2F + C12H25OOH-5-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-6-2 = C12H25-2F + C12H25OOH-6-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-7-2 = C12H25-2F + C12H25OOH-7-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-8-2 = C12H25-2F + C12H25OOH-8-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-9-2 = C12H25-2F + C12H25OOH-9-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-10-2 = C12H25-2F + C12H25OOH-10-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-11-2 = C12H25-2F + C12H25OOH-11-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C12H26-2 + C12H25OO-1-2 = C12H25-2G + C12H25OOH-1-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-2-2 = C12H25-2G + C12H25OOH-2-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-3-2 = C12H25-2G + C12H25OOH-3-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-4-2 = C12H25-2G + C12H25OOH-4-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-5-2 = C12H25-2G + C12H25OOH-5-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-6-2 = C12H25-2G + C12H25OOH-6-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-7-2 = C12H25-2G + C12H25OOH-7-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-8-2 = C12H25-2G + C12H25OOH-8-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-9-2 = C12H25-2G + C12H25OOH-9-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-10-2 = C12H25-2G + C12H25OOH-10-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-11-2 = C12H25-2G + C12H25OOH-11-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C12H26-2 + C12H25OO-1-2 = C12H25-2H + C12H25OOH-1-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-2-2 = C12H25-2H + C12H25OOH-2-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-3-2 = C12H25-2H + C12H25OOH-3-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-4-2 = C12H25-2H + C12H25OOH-4-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-5-2 = C12H25-2H + C12H25OOH-5-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-6-2 = C12H25-2H + C12H25OOH-6-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-7-2 = C12H25-2H + C12H25OOH-7-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-8-2 = C12H25-2H + C12H25OOH-8-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-9-2 = C12H25-2H + C12H25OOH-9-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-10-2 = C12H25-2H + C12H25OOH-10-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-11-2 = C12H25-2H + C12H25OOH-11-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C12H26-2 + C12H25OO-1-2 = C12H25-2I + C12H25OOH-1-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-2-2 = C12H25-2I + C12H25OOH-2-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-3-2 = C12H25-2I + C12H25OOH-3-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-4-2 = C12H25-2I + C12H25OOH-4-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-5-2 = C12H25-2I + C12H25OOH-5-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-6-2 = C12H25-2I + C12H25OOH-6-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-7-2 = C12H25-2I + C12H25OOH-7-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-8-2 = C12H25-2I + C12H25OOH-8-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-9-2 = C12H25-2I + C12H25OOH-9-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-10-2 = C12H25-2I + C12H25OOH-10-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-11-2 = C12H25-2I + C12H25OOH-11-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C12H26-2 + C12H25OO-1-2 = C12H25-2J + C12H25OOH-1-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-2-2 = C12H25-2J + C12H25OOH-2-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-3-2 = C12H25-2J + C12H25OOH-3-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-4-2 = C12H25-2J + C12H25OOH-4-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-5-2 = C12H25-2J + C12H25OOH-5-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-6-2 = C12H25-2J + C12H25OOH-6-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-7-2 = C12H25-2J + C12H25OOH-7-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-8-2 = C12H25-2J + C12H25OOH-8-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-9-2 = C12H25-2J + C12H25OOH-9-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-10-2 = C12H25-2J + C12H25OOH-10-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-11-2 = C12H25-2J + C12H25OOH-11-2
4.000E+12 0.00 1.770E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
C12H26-2 + C12H25OO-1-2 = C12H25-2K + C12H25OOH-1-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-2-2 = C12H25-2K + C12H25OOH-2-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-3-2 = C12H25-2K + C12H25OOH-3-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-4-2 = C12H25-2K + C12H25OOH-4-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-5-2 = C12H25-2K + C12H25OOH-5-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-6-2 = C12H25-2K + C12H25OOH-6-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-7-2 = C12H25-2K + C12H25OOH-7-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-8-2 = C12H25-2K + C12H25OOH-8-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-9-2 = C12H25-2K + C12H25OOH-9-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-10-2 = C12H25-2K + C12H25OOH-10-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
C12H26-2 + C12H25OO-11-2 = C12H25-2K + C12H25OOH-11-2
6.000E+12 0.00 2.043E+04
REV / 1.440E+10 0.00 1.500E+04 /
!
!
!
!
!
!
!
!
!
!
!
!
!
! 2-METHYLHEXANE
!
!
!
!
!
!
! CLASS 3 ALKYL RADICAL DECOMPOSITION
!
!
C7H15-2A = PC4H9 + C3H6 3.68E+15 -0.56
31359
C7H15-2A = CH3 + C6H12-1 9.55E+14 -0.59
30592
H + C7H14-1-2 = C7H15-2A 2.500E+11 0.51 2620.0
!
C7H15-2B = NC3H7 + IC4H8 1.71E+12 0.31 26610
H + C7H14-1-2 = C7H15-2B 4.240E+11 0.51 1230.0
H + C7H14-2-2 = C7H15-2B 2.500E+11 0.51 2620.0
!
C7H15-2C = C2H5 + CC5H10 3.08E+13 0.03 28992
C7H15-2C = CH3 + C6H12-2 1.77E+13 0.11 30542
H + C7H14-2-2 = C7H15-2C 2.500E+11 0.51 2620.0
H + C7H14-3-2 = C7H15-2C 2.500E+11 0.51 2620.0
!
C7H15-2D = IC3H7 + C4H8-1 6.98E+12 0.16 24963
C7H15-2D = CH3 + DC6H12 9.55E+14 -0.59
30592
H + C7H14-3-2 = C7H15-2D 2.500E+11 0.51 2620.0
H + C7H14-4-2 = C7H15-2D 2.500E+11 0.51 2620.0
!
C7H15-2E = IC4H9 + C3H6 1.06E+13 0.07 27125
H + C7H14-4-2 = C7H15-2E 2.500E+11 0.51 2620.0
H + C7H14-5-2 = C7H15-2E 2.500E+11 0.51 2620.0
!
C7H15-2F = DC5H11 + C2H4 2.64E+15 -0.55
31136
H + C7H14-5-2 = C7H15-2F 2.500E+11 0.51 2620.0
!
!
!
!
!
!
!
!
!
!
!
!
!
! 2-METHYLHEPTANE
!
!
!
!
!
!
! CLASS 3 ALKYL RADICAL DECOMPOSITION
!
!
C8H17-2A = C5H11-1 + C3H6 3.68E+15 -0.56 31359
C8H17-2A = CH3 + C7H14-1 9.55E+14 -0.59 30592
H + C8H16-1-2 = C8H17-2A 2.500E+11 0.51 2620.0
!
C8H17-2B = PC4H9 + IC4H8 1.71E+12 0.31 26610
H + C8H16-1-2 = C8H17-2B 4.240E+11 0.51 1230.0
H + C8H16-2-2 = C8H17-2B 2.500E+11 0.51 2620.0
!
C8H17-2C = NC3H7 + CC5H10 3.08E+13 0.03 28992
C8H17-2C = CH3 + C7H14-2 1.77E+13 0.11 30542
H + C8H16-2-2 = C8H17-2C 2.500E+11 0.51 2620.0
H + C8H16-3-2 = C8H17-2C 2.500E+11 0.51 2620.0
!
C8H17-2D = IC3H7 + C5H10-1 6.98E+12 0.16 24963
C8H17-2D = C2H5 + DC6H12 3.08E+13 0.03 28992
H + C8H16-3-2 = C8H17-2D 2.500E+11 0.51 2620.0
H + C8H16-4-2 = C8H17-2D 2.500E+11 0.51 2620.0
!
C8H17-2E = IC4H9 + C4H8-1 6.98E+12 0.16 24963
C8H17-2E = CH3 + C7H14-5-2 9.55E+14 -0.59 30592
H + C8H16-4-2 = C8H17-2E 2.500E+11 0.51 2620.0
H + C8H16-5-2 = C8H17-2E 2.500E+11 0.51 2620.0
!
C8H17-2F = DC5H11 + C3H6 1.06E+13 0.07 27125
H + C8H16-5-2 = C8H17-2F 2.500E+11 0.51 2620.0
H + C8H16-6-2 = C8H17-2F 2.500E+11 0.51 2620.0
!
!
C8H17-2G = EC6H13 + C2H4 2.64E+15 -0.55 31136
H + C8H16-6-2 = C8H17-2G 2.500E+11 0.51 2620.0
!
!
!
!
!
!
!
!
!
!
!
!
! 2-METHYLOCTANE
!
!
!
!
!
!
! CLASS 3 ALKYL RADICAL DECOMPOSITION
!
!
C9H19-2A = C6H13-1 + C3H6 3.68E+15 -0.56 31359
C9H19-2A = CH3 + C8H16-1 9.55E+14 -0.59 30592
!
C9H19-2B = C5H11-1 + IC4H8 1.71E+12 0.31 26610
!
C9H19-2C = PC4H9 + CC5H10 3.08E+13 0.03 28992
C9H19-2C = CH3 + C8H16-2 1.77E+13 0.11 30542
!
C9H19-2D = IC3H7 + C6H12-1 6.98E+12 0.16 24963
C9H19-2D = NC3H7 + DC6H12 3.08E+13 0.03 28992
!
C9H19-2E = IC4H9 + C5H10-1 6.98E+12 0.16 24963
C9H19-2E = C2H5 + C7H14-5-2 3.08E+13 0.03 28992
!
C9H19-2F = DC5H11 + C4H8-1 6.98E+12 0.16 24963
C9H19-2F = CH3 + C8H16-6-2 9.55E+14 -0.59 30592
!
!
C9H19-2G = EC6H13 + C3H6 1.06E+13 0.07 27125
!
C9H19-2H = C7H15-2F + C2H4 2.64E+15 -0.55 31136
!
H + C9H18-1-2 = C9H19-2A 2.500E+11 0.51 2620.0
!
H + C9H18-1-2 = C9H19-2B 4.240E+11 0.51 1230.0
H + C9H18-2-2 = C9H19-2B 2.500E+11 0.51 2620.0
!
H + C9H18-2-2 = C9H19-2C 2.500E+11 0.51 2620.0
H + C9H18-3-2 = C9H19-2C 2.500E+11 0.51 2620.0
!
H + C9H18-3-2 = C9H19-2D 2.500E+11 0.51 2620.0
H + C9H18-4-2 = C9H19-2D 2.500E+11 0.51 2620.0
!
H + C9H18-4-2 = C9H19-2E 2.500E+11 0.51 2620.0
H + C9H18-5-2 = C9H19-2E 2.500E+11 0.51 2620.0
!
H + C9H18-5-2 = C9H19-2F 2.500E+11 0.51 2620.0
H + C9H18-6-2 = C9H19-2F 2.500E+11 0.51 2620.0
!
!
H + C9H18-6-2 = C9H19-2G 2.500E+11 0.51 2620.0
H + C9H18-7-2 = C9H19-2G 2.500E+11 0.51 2620.0
!
H + C9H18-7-2 = C9H19-2H 2.500E+11 0.51 2620.0
!
!
!
!
!
!
!
!
!
!
!
! 2-METHYLNONANE
!
!
!
!
!
!
! CLASS 3 ALKYL RADICAL DECOMPOSITION
!
!
!
!
C12H25-2A = C9H19-1 + C3H6 3.68E+15 -0.56 31359
C12H25-2A = CH3 + C11H22-1 9.55E+14 -0.59 30592
!
C12H25-2B = C8H17-1 + IC4H8 1.71E+12 0.31 26610
!
C12H25-2C = C7H15-1 + CC5H10 3.08E+13 0.03 28992
C12H25-2C = CH3 + C11H22-2 1.77E+13 0.11 30542
!
C12H25-2D = IC3H7 + C9H18-1 6.98E+12 0.16 24963
C12H25-2D = C6H13-1 + DC6H12 3.08E+13 0.03 28992
!
C12H25-2E = IC4H9 + C8H16-1 6.98E+12 0.16 24963
C12H25-2E = C5H11-1 + C7H14-5-2 3.08E+13 0.03 28992
!
C12H25-2F = DC5H11 + C7H14-1 6.98E+12 0.16 24963
C12H25-2F = PC4H9 + C8H16-6-2 3.08E+13 0.03 28992
!
!
C12H25-2G = EC6H13 + C6H12-1 6.98E+12 0.16 24963
C12H25-2G = NC3H7 + C9H18-7-2 3.08E+13 0.03 28992
!
C12H25-2H = C7H15-2F + C5H10-1 6.98E+12 0.16 24963
C12H25-2H = C2H5 + C10H20-8-2 3.08E+13 0.03 28992
!
C12H25-2I = C8H17-2G + C4H8-1 6.98E+12 0.16 24963
C12H25-2I = CH3 + C11H22-9-2 9.55E+14 -0.59 30592
!
C12H25-2J = C9H19-2H + C3H6 1.06E+13 0.07 27125
!
C12H25-2K = C10H21-2I + C2H4 2.64E+15 -0.55 31136
!
!
!
!
!
!
!
H + C12H24-1-2 = C12H25-2A 2.500E+11 0.51
2620.0
!
H + C12H24-1-2 = C12H25-2B 4.240E+11 0.51
1230.0
H + C12H24-2-2 = C12H25-2B 2.500E+11 0.51
2620.0
!
H + C12H24-2-2 = C12H25-2C 2.500E+11 0.51
2620.0
H + C12H24-3-2 = C12H25-2C 2.500E+11 0.51
2620.0
!
H + C12H24-3-2 = C12H25-2D 2.500E+11 0.51
2620.0
H + C12H24-4-2 = C12H25-2D 2.500E+11 0.51
2620.0
!
H + C12H24-4-2 = C12H25-2E 2.500E+11 0.51
2620.0
H + C12H24-5-2 = C12H25-2E 2.500E+11 0.51
2620.0
!
H + C12H24-5-2 = C12H25-2F 2.500E+11 0.51
2620.0
H + C12H24-6-2 = C12H25-2F 2.500E+11 0.51
2620.0
!
!
H + C12H24-6-2 = C12H25-2G 2.500E+11 0.51
2620.0
H + C12H24-7-2 = C12H25-2G 2.500E+11 0.51
2620.0
!
H + C12H24-7-2 = C12H25-2H 2.500E+11 0.51
2620.0
H + C12H24-8-2 = C12H25-2H 2.500E+11 0.51
2620.0
!
H + C12H24-8-2 = C12H25-2I 2.500E+11 0.51
2620.0
H + C12H24-9-2 = C12H25-2I 2.500E+11 0.51
2620.0
!
H + C12H24-9-2 = C12H25-2J 2.500E+11 0.51
2620.0
H + C12H24-10-2 = C12H25-2J 2.500E+11 0.51
2620.0
!
H + C12H24-10-2 = C12H25-2K 2.500E+11 0.51
2620.0
!
!
!
!
!
!
!
!
!
!
!
! 2-METHYLDODECANE
!
!
!
!
!
!
! CLASS 3 ALKYL RADICAL DECOMPOSITION
!
!
!
!
! 2-METHYLHEXANE
!
!
!
!
!
!
! CLASS 4 ALKYL RADICAL ISOMERIZATION
!
!
!
!
!
!
!
! 2-METHYLHEPTANE
!
!
!
!
!
!
! CLASS 4 ALKYL RADICAL ISOMERIZATION
!
!
!
!
!
!
!
!
!
! 2-METHYLOCTANE
!
!
!
!
!
!
! CLASS 4 ALKYL RADICAL ISOMERIZATION
!
C9H19-2A = C9H19-2D 6.92E+00 3.20 1.6558E+04 !TSANG 2007
1-C6H13=3-C6H13 5M P-S
!
!
! 2-METHYLNONANE
!
!
!
!
!
!
! CLASS 4 ALKYL RADICAL ISOMERIZATION
!
C10H21-2A = C10H21-2D 6.92E+00 3.20 1.6558E+04 !TSANG 2007
1-C6H13=3-C6H13 5M P-S
!
C11H23-2A = C11H23-2D 6.92E+00 3.20 1.6558E+04 !TSANG 2007
1-C6H13=3-C6H13 5M P-S
!
C12H25-2A = C12H25-2D 6.92E+00 3.20 1.6558E+04 !TSANG 2007
1-C6H13=3-C6H13 5M P-S
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
! 2-METHYLHEXANE
!
!
!
!
!
!
!
! CLASS 5
! H ATOM ABSTRACTION FROM ALKENES BY OH, HO2, H, CH3, AND O
!
!
! THE FOLLOWING ARE GLOBAL REACTIONS USED FOR SIMPLICITY. ABSTRACTIONS FORM A
C7H13-1-2 RADICAL WHICH IS A LUMP OF ALL POSSIBLE RADICALS
!
!
! THE FOLLOWING ARE GLOBAL REACTIONS USED FOR SIMPLICITY. ABSTRACTIONS FORM A
C8H15-1-2 RADICAL WHICH IS A LUMP OF ALL POSSIBLE RADICALS
!
!
! THE FOLLOWING ARE GLOBAL REACTIONS USED FOR SIMPLICITY. ABSTRACTIONS FORM A
C9H17-1-2 RADICAL WHICH IS A LUMP OF ALL POSSIBLE RADICALS
!
!
! THE FOLLOWING ARE GLOBAL REACTIONS USED FOR SIMPLICITY. ABSTRACTIONS FORM A
C10H19-1-2 RADICAL WHICH IS A LUMP OF ALL POSSIBLE RADICALS
!
!
! THE FOLLOWING ARE GLOBAL REACTIONS USED FOR SIMPLICITY. ABSTRACTIONS FORM A
C10H19-1-2 RADICAL WHICH IS A LUMP OF ALL POSSIBLE RADICALS
!
!
! THE FOLLOWING ARE GLOBAL REACTIONS USED FOR SIMPLICITY. ABSTRACTIONS FORM A
C10H19-1-2 RADICAL WHICH IS A LUMP OF ALL POSSIBLE RADICALS
!
! 2-METHYLHEXANE
!
!
!
!
!
!
!
! CLASS 6 ADDITION OF RADICAL SPECIES TO ALKENES
!
!
C7H14-1-2 + OH = CH2O + C6H13-2 1.00E+11 0.00 -
4.00E+03
REV / 0.00 0.00 0.00 /
C7H14-1-2 + OH = CH3COCH3 + PC4H9 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
C7H14-2-2 + OH = CH3COCH3 + PC4H9 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
C7H14-3-2 + OH = C2H5CHO + IC4H9 1.00E+11 0.00 -
4.00E+03
REV / 0.00 0.00 0.00 /
C7H14-4-2 + OH = C2H5CHO + IC4H9 1.00E+11 0.00 -
4.00E+03
REV / 0.00 0.00 0.00 /
C7H14-4-2 + OH = CH3CHO + DC5H11 1.00E+11 0.00 -
4.00E+03
REV / 0.00 0.00 0.00 /
C7H14-5-2 + OH = CH3CHO + DC5H11 1.00E+11 0.00 -
4.00E+03
REV / 0.00 0.00 0.00 /
C7H14-5-2 + OH = CH2O + EC6H13 1.00E+11 0.00 -
4.00E+03
REV / 0.00 0.00 0.00 /
!
C7H14-1-2 + O = CH2O + C6H12-2 1.00E+11 0.00 -
1.05E+03
REV / 0.00 0.00 0.00 /
C7H14-1-2 + O = CH3COCH3 + C4H8-1 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
C7H14-2-2 + O = CH3COCH3 + C4H8-1 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
C7H14-3-2 + O = C2H5CHO + IC4H8 1.00E+11 0.00 -
1.05E+03
REV / 0.00 0.00 0.00 /
C7H14-4-2 + O = C2H5CHO + IC4H8 1.00E+11 0.00 -
1.05E+03
REV / 0.00 0.00 0.00 /
C7H14-4-2 + O = CH3CHO + CC5H10 1.00E+11 0.00 -
1.05E+03
REV / 0.00 0.00 0.00 /
C7H14-5-2 + O = CH3CHO + CC5H10 1.00E+11 0.00 -
1.05E+03
REV / 0.00 0.00 0.00 /
C7H14-5-2 + O = CH2O + DC6H12 1.00E+11 0.00 -
1.05E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
! 2-METHYLHEPTANE
!
!
!
!
!
!
!
!
!
!
!
!
!
! CLASS 6 ADDITION OF RADICAL SPECIES TO ALKENES
!
!
C8H16-1-2 + OH = CH2O + C7H15-2 1.00E+11 0.00 -
4.00E+03
REV / 0.00 0.00 0.00 /
C8H16-1-2 + OH = CH3COCH3 + C5H11-1 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
C8H16-2-2 + OH = CH3COCH3 + C5H11-1 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
C8H16-3-2 + OH = NC3H7CHO + IC4H9 1.00E+11 0.00 -
4.00E+03
REV / 0.00 0.00 0.00 /
C8H16-4-2 + OH = NC3H7CHO + IC4H9 1.00E+11 0.00 -
4.00E+03
REV / 0.00 0.00 0.00 /
C8H16-4-2 + OH = C2H5CHO + DC5H11 1.00E+11 0.00 -
4.00E+03
REV / 0.00 0.00 0.00 /
C8H16-5-2 + OH = C2H5CHO + DC5H11 1.00E+11 0.00 -
4.00E+03
REV / 0.00 0.00 0.00 /
C8H16-5-2 + OH = CH3CHO + EC6H13 1.00E+11 0.00 -
4.00E+03
REV / 0.00 0.00 0.00 /
C8H16-6-2 + OH = CH3CHO + EC6H13 1.00E+11 0.00 -
4.00E+03
REV / 0.00 0.00 0.00 /
C8H16-6-2 + OH = CH2O + C7H15-2F 1.00E+11 0.00 -
4.00E+03
REV / 0.00 0.00 0.00 /
!
C8H16-1-2 + O = CH2O + C7H14-2 1.00E+11 0.00 -
1.05E+03
REV / 0.00 0.00 0.00 /
C8H16-1-2 + O = CH3COCH3 + C5H10-1 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
C8H16-2-2 + O = CH3COCH3 + C5H10-1 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
C8H16-3-2 + O = NC3H7CHO + IC4H8 1.00E+11 0.00 -
1.05E+03
REV / 0.00 0.00 0.00 /
C8H16-4-2 + O = NC3H7CHO + IC4H8 1.00E+11 0.00 -
1.05E+03
REV / 0.00 0.00 0.00 /
C8H16-4-2 + O = C2H5CHO + CC5H10 1.00E+11 0.00 -
1.05E+03
REV / 0.00 0.00 0.00 /
C8H16-5-2 + O = C2H5CHO + CC5H10 1.00E+11 0.00 -
1.05E+03
REV / 0.00 0.00 0.00 /
C8H16-5-2 + O = CH3CHO + DC6H12 1.00E+11 0.00 -
1.05E+03
REV / 0.00 0.00 0.00 /
C8H16-6-2 + O = CH3CHO + DC6H12 1.00E+11 0.00 -
1.05E+03
REV / 0.00 0.00 0.00 /
C8H16-6-2 + O = CH2O + C7H14-5-2 1.00E+11 0.00 -
1.05E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
!
! 2-METHYLOCTANE
!
!
!
!
!
!
!
! CLASS 6 ADDITION OF RADICAL SPECIES TO ALKENES
!
!
C9H18-1-2 + OH = CH2O + C8H17-2 1.00E+11 0.00 -
4.00E+03
REV / 0.00 0.00 0.00 /
C9H18-1-2 + OH = CH3COCH3 + C6H13-1 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
C9H18-2-2 + OH = CH3COCH3 + C6H13-1 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
C9H18-3-2 + OH = NC4H9CHO + IC4H9 1.00E+11 0.00 -
4.00E+03
REV / 0.00 0.00 0.00 /
C9H18-4-2 + OH = NC4H9CHO + IC4H9 1.00E+11 0.00 -
4.00E+03
REV / 0.00 0.00 0.00 /
C9H18-4-2 + OH = NC3H7CHO + DC5H11 1.00E+11 0.00 -
4.00E+03
REV / 0.00 0.00 0.00 /
C9H18-5-2 + OH = NC3H7CHO + DC5H11 1.00E+11 0.00 -
4.00E+03
REV / 0.00 0.00 0.00 /
C9H18-5-2 + OH = C2H5CHO + EC6H13 1.00E+11 0.00 -
4.00E+03
REV / 0.00 0.00 0.00 /
C9H18-6-2 + OH = C2H5CHO + EC6H13 1.00E+11 0.00 -
4.00E+03
REV / 0.00 0.00 0.00 /
C9H18-6-2 + OH = CH3CHO + C7H15-2F 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
C9H18-7-2 + OH = CH3CHO + C7H15-2F 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
C9H18-7-2 + OH = CH2O + C8H17-2G 1.00E+11 0.00 -
4.00E+03
REV / 0.00 0.00 0.00 /
!
C9H18-1-2 + O = CH2O + C8H16-2 1.00E+11 0.00 -
1.05E+03
REV / 0.00 0.00 0.00 /
C9H18-1-2 + O = CH3COCH3 + C6H12-1 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
C9H18-2-2 + O = CH3COCH3 + C6H12-1 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
C9H18-3-2 + O = NC4H9CHO + IC4H8 1.00E+11 0.00 -
1.05E+03
REV / 0.00 0.00 0.00 /
C9H18-4-2 + O = NC4H9CHO + IC4H8 1.00E+11 0.00 -
1.05E+03
REV / 0.00 0.00 0.00 /
C9H18-4-2 + O = NC3H7CHO + CC5H10 1.00E+11 0.00 -
1.05E+03
REV / 0.00 0.00 0.00 /
C9H18-5-2 + O = NC3H7CHO + CC5H10 1.00E+11 0.00 -
1.05E+03
REV / 0.00 0.00 0.00 /
C9H18-5-2 + O = C2H5CHO + DC6H12 1.00E+11 0.00 -
1.05E+03
REV / 0.00 0.00 0.00 /
C9H18-6-2 + O = C2H5CHO + DC6H12 1.00E+11 0.00 -
1.05E+03
REV / 0.00 0.00 0.00 /
C9H18-6-2 + O = CH3CHO + C7H14-5-2 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
C9H18-7-2 + O = CH3CHO + C7H14-5-2 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
C9H18-7-2 + O = CH2O + C8H16-6-2 1.00E+11 0.00 -
1.05E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
! 2-METHYLNONANE
!
!
!
!
!
!
!
! CLASS 6 ADDITION OF RADICAL SPECIES TO ALKENES
!
!
C10H20-1-2 + OH = CH2O + C9H19-2 1.00E+11 0.00 -
4.00E+03
REV / 0.00 0.00 0.00 /
C10H20-1-2 + OH = CH3COCH3 + C7H15-1 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
C10H20-2-2 + OH = CH3COCH3 + C7H15-1 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
C10H20-3-2 + OH = NC5H11CHO + IC4H9 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
C10H20-4-2 + OH = NC5H11CHO + IC4H9 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
C10H20-4-2 + OH = NC4H9CHO + DC5H11 1.00E+11 0.00 -
4.00E+03
REV / 0.00 0.00 0.00 /
C10H20-5-2 + OH = NC4H9CHO + DC5H11 1.00E+11 0.00 -
4.00E+03
REV / 0.00 0.00 0.00 /
C10H20-5-2 + OH = NC3H7CHO + EC6H13 1.00E+11 0.00 -
4.00E+03
REV / 0.00 0.00 0.00 /
C10H20-6-2 + OH = NC3H7CHO + EC6H13 1.00E+11 0.00 -
4.00E+03
REV / 0.00 0.00 0.00 /
C10H20-6-2 + OH = C2H5CHO + C7H15-2F 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
C10H20-7-2 + OH = C2H5CHO + C7H15-2F 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
C10H20-7-2 + OH = CH3CHO + C8H17-2G 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
C10H20-8-2 + OH = CH3CHO + C8H17-2G 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
C10H20-8-2 + OH = CH2O + C9H19-2H 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
!
C10H20-1-2 + O = CH2O + C9H18-2 1.00E+11 0.00 -
1.05E+03
REV / 0.00 0.00 0.00 /
C10H20-1-2 + O = CH3COCH3 + C7H14-1 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
C10H20-2-2 + O = CH3COCH3 + C7H14-1 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
C10H20-3-2 + O = NC5H11CHO + IC4H8 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
C10H20-4-2 + O = NC5H11CHO + IC4H8 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
C10H20-4-2 + O = NC4H9CHO + CC5H10 1.00E+11 0.00 -
1.05E+03
REV / 0.00 0.00 0.00 /
C10H20-5-2 + O = NC4H9CHO + CC5H10 1.00E+11 0.00 -
1.05E+03
REV / 0.00 0.00 0.00 /
C10H20-5-2 + O = NC3H7CHO + DC6H12 1.00E+11 0.00 -
1.05E+03
REV / 0.00 0.00 0.00 /
C10H20-6-2 + O = NC3H7CHO + DC6H12 1.00E+11 0.00 -
1.05E+03
REV / 0.00 0.00 0.00 /
C10H20-6-2 + O = C2H5CHO + C7H14-5-2 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
C10H20-7-2 + O = C2H5CHO + C7H14-5-2 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
C10H20-7-2 + O = CH3CHO + C8H16-6-2 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
C10H20-8-2 + O = CH3CHO + C8H16-6-2 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
C10H20-8-2 + O = CH2O + C9H18-7-2 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
!
!
!
!
!
! 2-METHYLDECANE
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
! CLASS 6 ADDITION OF RADICAL SPECIES TO ALKENES
!
!
C11H22-1-2 + OH = CH2O + C10H21-2 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
C11H22-1-2 + OH = CH3COCH3 + C8H17-1 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
C11H22-2-2 + OH = CH3COCH3 + C8H17-1 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
C11H22-3-2 + OH = NC6H13CHO + IC4H9 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
C11H22-4-2 + OH = NC6H13CHO + IC4H9 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
C11H22-4-2 + OH = NC5H11CHO + DC5H11 1.00E+11 0.00 -
4.00E+03
REV / 0.00 0.00 0.00 /
C11H22-5-2 + OH = NC5H11CHO + DC5H11 1.00E+11 0.00 -
4.00E+03
REV / 0.00 0.00 0.00 /
C11H22-5-2 + OH = NC4H9CHO + EC6H13 1.00E+11 0.00 -
4.00E+03
REV / 0.00 0.00 0.00 /
C11H22-6-2 + OH = NC4H9CHO + EC6H13 1.00E+11 0.00 -
4.00E+03
REV / 0.00 0.00 0.00 /
C11H22-6-2 + OH = NC3H7CHO + C7H15-2F 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
C11H22-7-2 + OH = NC3H7CHO + C7H15-2F 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
C11H22-7-2 + OH = C2H5CHO + C8H17-2G 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
C11H22-8-2 + OH = C2H5CHO + C8H17-2G 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
C11H22-8-2 + OH = CH3CHO + C9H19-2H 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
C11H22-9-2 + OH = CH3CHO + C9H19-2H 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
C11H22-9-2 + OH = CH2O + C10H21-2I 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
!
C11H22-1-2 + O = CH2O + C10H20-2 1.00E+11 0.00 -
1.05E+03
REV / 0.00 0.00 0.00 /
C11H22-1-2 + O = CH3COCH3 + C8H16-1 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
C11H22-2-2 + O = CH3COCH3 + C8H16-1 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
C11H22-3-2 + O = NC6H13CHO + IC4H8 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
C11H22-4-2 + O = NC6H13CHO + IC4H8 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
C11H22-4-2 + O = NC5H11CHO + CC5H10 1.00E+11 0.00 -
1.05E+03
REV / 0.00 0.00 0.00 /
C11H22-5-2 + O = NC5H11CHO + CC5H10 1.00E+11 0.00 -
1.05E+03
REV / 0.00 0.00 0.00 /
C11H22-5-2 + O = NC4H9CHO + DC6H12 1.00E+11 0.00 -
1.05E+03
REV / 0.00 0.00 0.00 /
C11H22-6-2 + O = NC4H9CHO + DC6H12 1.00E+11 0.00 -
1.05E+03
REV / 0.00 0.00 0.00 /
C11H22-6-2 + O = NC3H7CHO + C7H14-5-2 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
C11H22-7-2 + O = NC3H7CHO + C7H14-5-2 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
C11H22-7-2 + O = C2H5CHO + C8H16-6-2 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
C11H22-8-2 + O = C2H5CHO + C8H16-6-2 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
C11H22-8-2 + O = CH3CHO + C9H18-7-2 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
C11H22-9-2 + O = CH3CHO + C9H18-7-2 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
C11H22-9-2 + O = CH2O + C10H20-8-2 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
!
!
!
!
!
!
! 2-METHYLUNDECANE
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
! CLASS 6 ADDITION OF RADICAL SPECIES TO ALKENES
!
!
C12H24-1-2 + OH = CH2O + C11H23-2 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
C12H24-1-2 + OH = CH3COCH3 + C9H19-1 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
C12H24-2-2 + OH = CH3COCH3 + C9H19-1 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
C12H24-3-2 + OH = NC7H15CHO + IC4H9 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
C12H24-4-2 + OH = NC7H15CHO + IC4H9 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
C12H24-4-2 + OH = NC6H13CHO + DC5H11 1.00E+11 0.00 -
4.00E+03
REV / 0.00 0.00 0.00 /
C12H24-5-2 + OH = NC6H13CHO + DC5H11 1.00E+11 0.00 -
4.00E+03
REV / 0.00 0.00 0.00 /
C12H24-5-2 + OH = NC5H11CHO + EC6H13 1.00E+11 0.00 -
4.00E+03
REV / 0.00 0.00 0.00 /
C12H24-6-2 + OH = NC5H11CHO + EC6H13 1.00E+11 0.00 -
4.00E+03
REV / 0.00 0.00 0.00 /
C12H24-6-2 + OH = NC4H9CHO + C7H15-2F 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
C12H24-7-2 + OH = NC4H9CHO + C7H15-2F 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
C12H24-7-2 + OH = NC3H7CHO + C8H17-2G 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
C12H24-8-2 + OH = NC3H7CHO + C8H17-2G 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
C12H24-8-2 + OH = C2H5CHO + C9H19-2H 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
C12H24-9-2 + OH = C2H5CHO + C9H19-2H 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
C12H24-9-2 + OH = CH3CHO + C10H21-2I 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
C12H24-10-2 + OH = CH3CHO + C10H21-2I 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
C12H24-10-2 + OH = CH2O + C11H23-2J 1.00E+11 0.00
-4.00E+03
REV / 0.00 0.00 0.00 /
!
C12H24-1-2 + O = CH2O + C11H22-2 1.00E+11 0.00 -
1.05E+03
REV / 0.00 0.00 0.00 /
C12H24-1-2 + O = CH3COCH3 + C9H18-1 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
C12H24-2-2 + O = CH3COCH3 + C9H18-1 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
C12H24-3-2 + O = NC7H15CHO + IC4H8 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
C12H24-4-2 + O = NC7H15CHO + IC4H8 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
C12H24-4-2 + O = NC6H13CHO + CC5H10 1.00E+11 0.00 -
1.05E+03
REV / 0.00 0.00 0.00 /
C12H24-5-2 + O = NC6H13CHO + CC5H10 1.00E+11 0.00 -
1.05E+03
REV / 0.00 0.00 0.00 /
C12H24-5-2 + O = NC5H11CHO + DC6H12 1.00E+11 0.00 -
1.05E+03
REV / 0.00 0.00 0.00 /
C12H24-6-2 + O = NC5H11CHO + DC6H12 1.00E+11 0.00 -
1.05E+03
REV / 0.00 0.00 0.00 /
C12H24-6-2 + O = NC4H9CHO + C7H14-5-2 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
C12H24-7-2 + O = NC4H9CHO + C7H14-5-2 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
C12H24-7-2 + O = NC3H7CHO + C8H16-6-2 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
C12H24-8-2 + O = NC3H7CHO + C8H16-6-2 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
C12H24-8-2 + O = C2H5CHO + C9H18-7-2 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
C12H24-9-2 + O = C2H5CHO + C9H18-7-2 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
C12H24-9-2 + O = CH3CHO + C10H20-8-2 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
C12H24-10-2 + O = CH3CHO + C10H20-8-2 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
C12H24-10-2 + O = CH2O + C11H22-9-2 1.00E+11 0.00
-1.05E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
! 2-METHYLHEXANE
! CLASS 7
!
C7H13-1-2+HO2<=>AC3H5CHO+NC3H7 + OH 9.640E+12 0.00 0.000E+00
C7H13-1-2+CH3O2<=>AC3H5CHO+NC3H7+CH3O 9.640E+12 0.00 0.000E+00
C7H13-1-2+C2H5O2<=>AC3H5CHO+NC3H7+C2H5O 9.640E+12 0.00 0.000E+00
!
!
! 2-METHYLHEPTANE
! CLASS 7
!
C8H15-1-2+HO2<=>AC3H5CHO+PC4H9 + OH 9.640E+12 0.00 0.000E+00
C8H15-1-2+CH3O2<=>AC3H5CHO+PC4H9+CH3O 9.640E+12 0.00 0.000E+00
C8H15-1-2+C2H5O2<=>AC3H5CHO+PC4H9+C2H5O 9.640E+12 0.00 0.000E+00
!
! 2-METHYLOCTANE
! CLASS 7
!
!
C9H17-1-2+HO2<=>AC3H5CHO+C5H11-1 + OH 9.640E+12 0.00 0.000E+00
C9H17-1-2+CH3O2<=>AC3H5CHO+C5H11-1+CH3O 9.640E+12 0.00 0.000E+00
C9H17-1-2+C2H5O2<=>AC3H5CHO+C5H11-1+C2H5O 9.640E+12 0.00 0.000E+00
!
! 2-METHYLNONANE
! CLASS 7
!
!
C10H19-1-2+HO2<=>AC3H5CHO+C6H13-1 + OH 9.640E+12 0.00 0.000E+00
C10H19-1-2+CH3O2<=>AC3H5CHO+C6H13-1+CH3O 9.640E+12 0.00 0.000E+00
C10H19-1-2+C2H5O2<=>AC3H5CHO+C6H13-1+C2H5O 9.640E+12 0.00 0.000E+00
!
! ! 2-METHYLDECANE
! CLASS 7
!
!
C11H21-1-2+HO2<=>AC3H5CHO+C7H15-1 + OH 9.640E+12 0.00 0.000E+00
C11H21-1-2+CH3O2<=>AC3H5CHO+C7H15-1+CH3O 9.640E+12 0.00 0.000E+00
C11H21-1-2+C2H5O2<=>AC3H5CHO+C7H15-1+C2H5O 9.640E+12 0.00 0.000E+00
!
! ! 2-METHYLUNDECANE
! CLASS 7
!
!
C12H23-1-2+HO2<=>AC3H5CHO+C8H17-1 + OH 9.640E+12 0.00 0.000E+00
C12H23-1-2+CH3O2<=>AC3H5CHO+C8H17-1+CH3O 9.640E+12 0.00 0.000E+00
C12H23-1-2+C2H5O2<=>AC3H5CHO+C8H17-1+C2H5O 9.640E+12 0.00 0.000E+00
!
!
!
! 2-METHYLHEXANE
!
!
!
!
!
!
!
!
!
! CLASS 8 ALKENYL RADICAL DECOMPOSITION GLOBAL REACTIONS
!
!
! THE COMPLEXITY OF THIS SECTION IS REDUCED SINCE ONLY ONE GLOBAL ALKENYL RADICAL
WAS FORMED IN CLASS 5 (I.E., C7H13-1-2A)
!
!
!
!
C9H17-1-2 = C3H6 + C6H111-6 2.50E+13 0.00 3.000E+04
REV / 1.000E+11 0.00 9.600E+03 /
C9H17-1-2 = IC4H8 + C5H91-5 2.50E+13 0.00 3.000E+04
REV / 1.000E+11 0.00 9.600E+03 /
C9H17-1-2 = CC5H10 + C4H71-4 2.50E+13 0.00 3.000E+04
REV / 1.000E+11 0.00 9.600E+03 /
C9H17-1-2 = DC6H12 + C3H5-A 2.50E+13 0.00 2.500E+04
REV / 1.000E+11 0.00 9.600E+03 /
C9H17-1-2 = C7H14-5-2 + C2H3 2.50E+13 0.00 3.500E+04
REV / 1.000E+11 0.00 9.600E+03 /
!
C9H17-1-2 = C3H5-T + C6H12-1 2.50E+13 0.00 2.500E+04
REV / 1.000E+11 0.00 9.600E+03 /
C9H17-1-2 = IC4H7 + C5H10-1 2.50E+13 0.00 3.000E+04
REV / 1.000E+11 0.00 9.600E+03 /
C9H17-1-2 = IC5H9 + C4H8-1 2.50E+13 0.00 3.000E+04
REV / 1.000E+11 0.00 9.600E+03 /
C9H17-1-2 = IC6H11 + C3H6 2.50E+13 0.00 3.000E+04
REV / 1.000E+11 0.00 9.600E+03 /
C9H17-1-2 = C7H13-1-2 + C2H4 2.50E+13 0.00 3.000E+04
REV / 1.000E+11 0.00 9.600E+03 /
!
!
!
!
!
! 2-METHYLNONANE
!
!
!
!
! CLASS 8 ALKENYL RADICAL DECOMPOSITION GLOBAL REACTIONS
!
!
C10H19-1-2 = C3H6 + C7H131-7 2.50E+13 0.00 3.000E+04
REV / 1.000E+11 0.00 9.600E+03 /
C10H19-1-2 = IC4H8 + C6H111-6 2.50E+13 0.00 3.000E+04
REV / 1.000E+11 0.00 9.600E+03 /
C10H19-1-2 = CC5H10 + C5H91-5 2.50E+13 0.00 3.000E+04
REV / 1.000E+11 0.00 9.600E+03 /
C10H19-1-2 = DC6H12 + C4H71-4 2.50E+13 0.00 3.000E+04
REV / 1.000E+11 0.00 9.600E+03 /
C10H19-1-2 = C7H14-5-2 + C3H5-A 2.50E+13 0.00 2.500E+04
REV / 1.000E+11 0.00 9.600E+03 /
C10H19-1-2 = C8H16-6-2 + C2H3 2.50E+13 0.00 3.500E+04
REV / 1.000E+11 0.00 9.600E+03 /
!
C10H19-1-2 = C3H5-T + C7H14-1 2.50E+13 0.00 2.500E+04
REV / 1.000E+11 0.00 9.600E+03 /
C10H19-1-2 = IC4H7 + C6H12-1 2.50E+13 0.00 3.000E+04
REV / 1.000E+11 0.00 9.600E+03 /
C10H19-1-2 = IC5H9 + C5H10-1 2.50E+13 0.00 3.000E+04
REV / 1.000E+11 0.00 9.600E+03 /
C10H19-1-2 = IC6H11 + C4H8-1 2.50E+13 0.00 3.000E+04
REV / 1.000E+11 0.00 9.600E+03 /
C10H19-1-2 = C7H13-1-2 + C3H6 2.50E+13 0.00 3.000E+04
REV / 1.000E+11 0.00 9.600E+03 /
C10H19-1-2 = C8H15-1-2 + C2H4 2.50E+13 0.00 3.000E+04
REV / 1.000E+11 0.00 9.600E+03 /
!
!
!
! 2-METHYLDECANE
!
!
!
!
! CLASS 8 ALKENYL RADICAL DECOMPOSITION GLOBAL REACTIONS
!
!
C11H21-1-2 = C3H6 + C8H15 2.50E+13 0.00 3.000E+04
REV / 1.000E+11 0.00 9.600E+03 /
C11H21-1-2 = IC4H8 + C7H131-7 2.50E+13 0.00 3.000E+04
REV / 1.000E+11 0.00 9.600E+03 /
C11H21-1-2 = CC5H10 + C6H111-6 2.50E+13 0.00 3.000E+04
REV / 1.000E+11 0.00 9.600E+03 /
C11H21-1-2 = DC6H12 + C5H91-5 2.50E+13 0.00 3.000E+04
REV / 1.000E+11 0.00 9.600E+03 /
C11H21-1-2 = C7H14-5-2 + C4H71-4 2.50E+13 0.00 3.000E+04
REV / 1.000E+11 0.00 9.600E+03 /
C11H21-1-2 = C8H16-6-2 + C3H5-A 2.50E+13 0.00 2.500E+04
REV / 1.000E+11 0.00 9.600E+03 /
C11H21-1-2 = C9H18-7-2 + C2H3 2.50E+13 0.00 3.500E+04
REV / 1.000E+11 0.00 9.600E+03 /
!
C11H21-1-2 = C3H5-T + C8H16-1 2.50E+13 0.00 2.500E+04
REV / 1.000E+11 0.00 9.600E+03 /
C11H21-1-2 = IC4H7 + C7H14-1 2.50E+13 0.00 3.000E+04
REV / 1.000E+11 0.00 9.600E+03 /
C11H21-1-2 = IC5H9 + C6H12-1 2.50E+13 0.00 3.000E+04
REV / 1.000E+11 0.00 9.600E+03 /
C11H21-1-2 = IC6H11 + C5H10-1 2.50E+13 0.00 3.000E+04
REV / 1.000E+11 0.00 9.600E+03 /
C11H21-1-2 = C7H13-1-2 + C4H8-1 2.50E+13 0.00 3.000E+04
REV / 1.000E+11 0.00 9.600E+03 /
C11H21-1-2 = C8H15-1-2 + C3H6 2.50E+13 0.00 3.000E+04
REV / 1.000E+11 0.00 9.600E+03 /
C11H21-1-2 = C9H17-1-2 + C2H4 2.50E+13 0.00 3.000E+04
REV / 1.000E+11 0.00 9.600E+03 /
!
!
!
!
!
! 2-METHYLUNDECANE
!
!
!
!
! CLASS 8 ALKENYL RADICAL DECOMPOSITION GLOBAL REACTIONS
!
!
C12H23-1-2 = C3H6 + C9H17 2.50E+13 0.00 3.000E+04
REV / 1.000E+11 0.00 9.600E+03 /
C12H23-1-2 = IC4H8 + C8H15 2.50E+13 0.00 3.000E+04
REV / 1.000E+11 0.00 9.600E+03 /
C12H23-1-2 = CC5H10 + C7H131-7 2.50E+13 0.00 3.000E+04
REV / 1.000E+11 0.00 9.600E+03 /
C12H23-1-2 = DC6H12 + C6H111-6 2.50E+13 0.00 3.000E+04
REV / 1.000E+11 0.00 9.600E+03 /
C12H23-1-2 = C7H14-5-2 + C5H91-5 2.50E+13 0.00 3.000E+04
REV / 1.000E+11 0.00 9.600E+03 /
C12H23-1-2 = C8H16-6-2 + C4H71-4 2.50E+13 0.00 3.000E+04
REV / 1.000E+11 0.00 9.600E+03 /
C12H23-1-2 = C9H18-7-2 + C3H5-A 2.50E+13 0.00 2.500E+04
REV / 1.000E+11 0.00 9.600E+03 /
C12H23-1-2 = C10H20-8-2 + C2H3 2.50E+13 0.00 3.500E+04
REV / 1.000E+11 0.00 9.600E+03 /
!
C12H23-1-2 = C3H5-T + C9H18-1 2.50E+13 0.00 2.500E+04
REV / 1.000E+11 0.00 9.600E+03 /
C12H23-1-2 = IC4H7 + C8H16-1 2.50E+13 0.00 3.000E+04
REV / 1.000E+11 0.00 9.600E+03 /
C12H23-1-2 = IC5H9 + C7H14-1 2.50E+13 0.00 3.000E+04
REV / 1.000E+11 0.00 9.600E+03 /
C12H23-1-2 = IC6H11 + C6H12-1 2.50E+13 0.00 3.000E+04
REV / 1.000E+11 0.00 9.600E+03 /
C12H23-1-2 = C7H13-1-2 + C5H10-1 2.50E+13 0.00 3.000E+04
REV / 1.000E+11 0.00 9.600E+03 /
C12H23-1-2 = C8H15-1-2 + C4H8-1 2.50E+13 0.00 3.000E+04
REV / 1.000E+11 0.00 9.600E+03 /
C12H23-1-2 = C9H17-1-2 + C3H6 2.50E+13 0.00 3.000E+04
REV / 1.000E+11 0.00 9.600E+03 /
C12H23-1-2 = C10H19-1-2 + C2H4 2.50E+13 0.00 3.000E+04
REV / 1.000E+11 0.00 9.600E+03 /
!
!
!
!
!
!
!
! 2-METHYLHEXANE
!
!
!
!
!
!
!
!
!
! CLASS 9 DECOMPOSITION OF ALKENES
!
!
C7H14-1-2 = IC4H7 + NC3H7 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C7H14-2-2 = IC5H9 + C2H5 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C7H14-3-2 = IC6H11 + CH3 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
!
!
C7H14-4-2 = IC3H7 + C4H71-4 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C7H14-5-2 = IC4H7 + NC3H7 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
!
!
! 2-METHYLHEPTANE
!
!
!
!
! CLASS 9 DECOMPOSITION OF ALKENES
!
!
C8H16-1-2 = IC4H7 + PC4H9 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C8H16-2-2 = IC5H9 + NC3H7 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C8H16-3-2 = IC6H11 + C2H5 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C8H16-4-2 = C7H13-1-2 + CH3 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
!
!
C8H16-4-2 = IC3H7 + C5H91-5 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C8H16-5-2 = IC4H7 + PC4H9 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C8H16-6-2 = IC5H9 + NC3H7 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
!
!
!
!
!
!
! 2-METHYLOCTANE
!
!
!
!
! CLASS 9 DECOMPOSITION OF ALKENES
!
!
C9H18-1-2 = IC4H7 + C5H11-1 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C9H18-2-2 = IC5H9 + PC4H9 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C9H18-3-2 = IC6H11 + NC3H7 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C9H18-4-2 = C7H13-1-2 + C2H5 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C9H18-5-2 = C8H15-1-2 + CH3 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
!
!
C9H18-4-2 = IC3H7 + C6H111-6 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C9H18-5-2 = IC4H7 + C5H11-1 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C9H18-6-2 = IC5H9 + PC4H9 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C9H18-7-2 = IC6H11 + NC3H7 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
!
!
!
!
! 2-METHYLNONANE
!
!
!
!
! CLASS 9 DECOMPOSITION OF ALKENES
!
!
C10H20-1-2 = IC4H7 + C6H13-1 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C10H20-2-2 = IC5H9 + C5H11-1 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C10H20-3-2 = IC6H11 + PC4H9 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C10H20-4-2 = C7H13-1-2 + NC3H7 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C10H20-5-2 = C8H15-1-2 + C2H5 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C10H20-6-2 = C9H17-1-2 + CH3 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
!
!
C10H20-4-2 = IC3H7 + C7H131-7 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C10H20-5-2 = IC4H7 + C6H13-1 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C10H20-6-2 = IC5H9 + C5H11-1 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C10H20-7-2 = IC6H11 + PC4H9 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C10H20-8-2 = C7H13-1-2 + NC3H7 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
!
!
!
! 2-METHYLDECANE
!
!
!
!
! CLASS 9 DECOMPOSITION OF ALKENES
!
!
C11H22-1-2 = IC4H7 + C7H15-1 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C11H22-2-2 = IC5H9 + C6H13-1 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C11H22-3-2 = IC6H11 + C5H11-1 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C11H22-4-2 = C7H13-1-2 + PC4H9 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C11H22-5-2 = C8H15-1-2 + NC3H7 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C11H22-6-2 = C9H17-1-2 + C2H5 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C11H22-7-2 = C10H19-1-2 + CH3 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
!
!
C11H22-4-2 = IC3H7 + C8H15 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C11H22-5-2 = IC4H7 + C7H15-1 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C11H22-6-2 = IC5H9 + C6H13-1 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C11H22-7-2 = IC6H11 + C5H11-1 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C11H22-8-2 = C7H13-1-2 + PC4H9 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C11H22-9-2 = C8H15-1-2 + NC3H7 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
!
!
!
!
!
! 2-METHYLUNDECANE
!
!
!
!
!
! CLASS 9 DECOMPOSITION OF ALKENES
!
!
C12H24-1-2 = IC4H7 + C8H17-1 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C12H24-2-2 = IC5H9 + C7H15-1 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C12H24-3-2 = IC6H11 + C6H13-1 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C12H24-4-2 = C7H13-1-2 + C5H11-1 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C12H24-5-2 = C8H15-1-2 + PC4H9 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C12H24-6-2 = C9H17-1-2 + NC3H7 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C12H24-7-2 = C10H19-1-2 + C2H5 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C12H24-8-2 = C11H21-1-2 + CH3 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
!
!
C12H24-4-2 = IC3H7 + C9H17 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C12H24-5-2 = IC4H7 + C8H17-1 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C12H24-6-2 = IC5H9 + C7H15-1 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C12H24-7-2 = IC6H11 + C6H13-1 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C12H24-8-2 = C7H13-1-2 + C5H11-1 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C12H24-9-2 = C8H15-1-2 + PC4H9 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
C12H24-10-2 = C9H17-1-2 + NC3H7 2.50E+16 0 71000
REV / 1.000E+13 0.00 0.000E+00 /
!
!
!
!
!
!
!
!
!
! 2-METHYLHEXANE
!
!
!
!
!
!
!
!
!
! CLASS 10 RETROENE REACTIONS
!
!
!
!
C7H14-1-2 = C4H8-1 + C3H6 3.98E+12 0 57629
C8H16-1-2 = C5H10-1 + C3H6 3.98E+12 0 57629
C9H18-1-2 = C6H12-1 + C3H6 3.98E+12 0 57629
C10H20-1-2 = C7H14-1 + C3H6 3.98E+12 0 57629
C11H22-1-2 = C8H16-1 + C3H6 3.98E+12 0 57629
C12H24-1-2 = C9H18-1 + C3H6 3.98E+12 0 57629
!
!
C7H14-2-2 = C2H4 + CC5H10 3.98E+12 0 57629
C8H16-2-2 = C3H6 + CC5H10 3.98E+12 0 57629
C9H18-2-2 = C4H8-1 + CC5H10 3.98E+12 0 57629
C10H20-2-2 = C5H10-1 + CC5H10 3.98E+12 0 57629
C11H22-2-2 = C6H12-1 + CC5H10 3.98E+12 0 57629
C12H24-2-2 = C7H14-1 + CC5H10 3.98E+12 0 57629
!
C8H16-3-2 = C2H4 + DC6H12 3.98E+12 0 57629
C9H18-3-2 = C3H6 + DC6H12 3.98E+12 0 57629
C10H20-3-2 = C4H8-1 + DC6H12 3.98E+12 0 57629
C11H22-3-2 = C5H10-1 + DC6H12 3.98E+12 0 57629
C12H24-3-2 = C6H12-1 + DC6H12 3.98E+12 0 57629
!
!
C9H18-4-2 = C2H4 + C7H14-5-2 3.98E+12 0 57629
!
!
C10H20-5-2 = C2H4 + C8H16-6-2 3.98E+12 0 57629
!
!
C11H22-6-2 = C2H4 + C9H18-7-2 3.98E+12 0 57629
!
!
C12H24-7-2 = C2H4 + C10H20-8-2 3.98E+12 0 57629
!
!
!
C7H14-4-2 = C4H8-1 + C3H6 3.98E+12 0 57629
C8H16-4-2 = C5H10-1 + C3H6 3.98E+12 0 57629
C9H18-4-2 = C6H12-1 + C3H6 3.98E+12 0 57629
C10H20-4-2 = C7H14-1 + C3H6 3.98E+12 0 57629
C11H22-4-2 = C8H16-1 + C3H6 3.98E+12 0 57629
C12H24-4-2 = C9H18-1 + C3H6 3.98E+12 0 57629
!
!
C7H14-5-2 = C3H6 + IC4H8 3.98E+12 0 57629
C8H16-5-2 = C4H8-1 + IC4H8 3.98E+12 0 57629
C9H18-5-2 = C5H10-1 + IC4H8 3.98E+12 0 57629
C10H20-5-2 = C6H12-1 + IC4H8 3.98E+12 0 57629
C11H22-5-2 = C7H14-1 + IC4H8 3.98E+12 0 57629
C12H24-5-2 = C8H16-1 + IC4H8 3.98E+12 0 57629
!
!
!
C8H16-6-2 = C3H6 + CC5H10 3.98E+12 0 57629
C9H18-6-2 = C4H8-1 + CC5H10 3.98E+12 0 57629
C10H20-6-2 = C5H10-1 + CC5H10 3.98E+12 0 57629
C11H22-6-2 = C6H12-1 + CC5H10 3.98E+12 0 57629
C12H24-6-2 = C7H14-1 + CC5H10 3.98E+12 0 57629
!
!
C9H18-7-2 = C3H6 + DC6H12 3.98E+12 0 57629
C10H20-7-2 = C4H8-1 + DC6H12 3.98E+12 0 57629
C11H22-7-2 = C5H10-1 + DC6H12 3.98E+12 0 57629
C12H24-7-2 = C6H12-1 + DC6H12 3.98E+12 0 57629
!
C10H20-8-2 = C3H6 + C7H14-5-2 3.98E+12 0 57629
!
!
C11H22-9-2 = C3H6 + C8H16-6-2 3.98E+12 0 57629
!
!
C12H24-10-2 = C3H6 + C9H18-7-2 3.98E+12 0 57629
!
!
!
!
! 2-METHYLHEXANE
!
!
!
!
!
!
!
!
!
! CLASS 11 ADDITION OF O2 TO ALKYL
!
!
C7H15-2A + O2 = C7H15OO-1-2 4.52E+12 0
0
C7H15-2B + O2 = C7H15OO-2-2 1.41E+13 0
0
C7H15-2C + O2 = C7H15OO-3-2 7.54E+12 0
0
C7H15-2D + O2 = C7H15OO-4-2 7.54E+12 0
0
C7H15-2E + O2 = C7H15OO-5-2 7.54E+12 0
0
C7H15-2F + O2 = C7H15OO-6-2 4.52E+12 0
0
!
! 2-METHYLHEPTANE !
!
!
!
!
! CLASS 11 ADDITION OF O2 TO ALKYL
!
!
C8H17-2A + O2 = C8H17OO-1-2 4.52E+12 0
0
C8H17-2B + O2 = C8H17OO-2-2 1.41E+13 0
0
C8H17-2C + O2 = C8H17OO-3-2 7.54E+12 0
0
C8H17-2D + O2 = C8H17OO-4-2 7.54E+12 0
0
C8H17-2E + O2 = C8H17OO-5-2 7.54E+12 0
0
C8H17-2F + O2 = C8H17OO-6-2 7.54E+12 0
0
C8H17-2G + O2 = C8H17OO-7-2 4.52E+12 0
0
!
! 2-METHYLOCTANE !
!
!
!
!
!
!
! CLASS 11 ADDITION OF O2 TO ALKYL
!
!
C9H19-2A + O2 = C9H19OO-1-2 4.52E+12 0
0
C9H19-2B + O2 = C9H19OO-2-2 1.41E+13 0
0
C9H19-2C + O2 = C9H19OO-3-2 7.54E+12 0
0
C9H19-2D + O2 = C9H19OO-4-2 7.54E+12 0
0
C9H19-2E + O2 = C9H19OO-5-2 7.54E+12 0
0
C9H19-2F + O2 = C9H19OO-6-2 7.54E+12 0
0
C9H19-2G + O2 = C9H19OO-7-2 7.54E+12 0
0
C9H19-2H + O2 = C9H19OO-8-2 4.52E+12 0
0
!
! 2-METHYLNONANE
!
!
!
!
!
!
!
! CLASS 11 ADDITION OF O2 TO ALKYL
!
!
C10H21-2A + O2 = C10H21OO-1-2 4.52E+12 0
0
C10H21-2B + O2 = C10H21OO-2-2 1.41E+13 0
0
C10H21-2C + O2 = C10H21OO-3-2 7.54E+12 0
0
C10H21-2D + O2 = C10H21OO-4-2 7.54E+12 0
0
C10H21-2E + O2 = C10H21OO-5-2 7.54E+12 0
0
C10H21-2F + O2 = C10H21OO-6-2 7.54E+12 0
0
C10H21-2G + O2 = C10H21OO-7-2 7.54E+12 0
0
C10H21-2H + O2 = C10H21OO-8-2 7.54E+12 0
0
C10H21-2I + O2 = C10H21OO-9-2 4.52E+12 0
0
!!
!
!
!
!
!
! CLASS 11 ADDITION OF O2 TO ALKYL
!
!
C11H23-2A + O2 = C11H23OO-1-2 4.52E+12 0
0
C11H23-2B + O2 = C11H23OO-2-2 1.41E+13 0
0
C11H23-2C + O2 = C11H23OO-3-2 7.54E+12 0
0
C11H23-2D + O2 = C11H23OO-4-2 7.54E+12 0
0
C11H23-2E + O2 = C11H23OO-5-2 7.54E+12 0
0
C11H23-2F + O2 = C11H23OO-6-2 7.54E+12 0
0
C11H23-2G + O2 = C11H23OO-7-2 7.54E+12 0
0
C11H23-2H + O2 = C11H23OO-8-2 7.54E+12 0
0
C11H23-2I + O2 = C11H23OO-9-2 7.54E+12 0
0
C11H23-2J + O2 = C11H23OO-10-2 4.52E+12 0
0
!
!
! 2-METHYLUNDECANE !
!
!
!
!
!
!
!
!
! CLASS 11 ADDITION OF O2 TO ALKYL
!
!
C12H25-2A + O2 = C12H25OO-1-2 4.52E+12 0
0
C12H25-2B + O2 = C12H25OO-2-2 1.41E+13 0
0
C12H25-2C + O2 = C12H25OO-3-2 7.54E+12 0
0
C12H25-2D + O2 = C12H25OO-4-2 7.54E+12 0
0
C12H25-2E + O2 = C12H25OO-5-2 7.54E+12 0
0
C12H25-2F + O2 = C12H25OO-6-2 7.54E+12 0
0
C12H25-2G + O2 = C12H25OO-7-2 7.54E+12 0
0
C12H25-2H + O2 = C12H25OO-8-2 7.54E+12 0
0
C12H25-2I + O2 = C12H25OO-9-2 7.54E+12 0
0
C12H25-2J + O2 = C12H25OO-10-2 7.54E+12 0
0
C12H25-2K + O2 = C12H25OO-11-2 4.52E+12 0
0
!
!
!
!
! 2-METHYLHEXANE
!
!
!
!
!
!
!
!
!
!
! CLASS 12 R. + R'OO. = RO. + R'O.
! ADDITION OF ALKYL RADICAL (R.) WITH ALKYLPEROXY RADICAL (R'OO.) TO FORM TWO
RO MOLECULES.
!
!
!
!
!
C7H15-2A + C7H15OO-1-2 = C7H15O-1-2 + C7H15O-1-2
7.00E+12 0 -1000
C7H15-2A + C7H15OO-2-2 = C7H15O-1-2 + C7H15O-2-2
7.00E+12 0 -1000
C7H15-2A + C7H15OO-3-2 = C7H15O-1-2 + C7H15O-3-2
7.00E+12 0 -1000
C7H15-2A + C7H15OO-4-2 = C7H15O-1-2 + C7H15O-4-2
7.00E+12 0 -1000
C7H15-2A + C7H15OO-5-2 = C7H15O-1-2 + C7H15O-5-2
7.00E+12 0 -1000
C7H15-2A + C7H15OO-6-2 = C7H15O-1-2 + C7H15O-6-2
7.00E+12 0 -1000
!
!
C7H15-2B + C7H15OO-1-2 = C7H15O-2-2 + C7H15O-1-2
7.00E+12 0 -1000
C7H15-2B + C7H15OO-2-2 = C7H15O-2-2 + C7H15O-2-2
7.00E+12 0 -1000
C7H15-2B + C7H15OO-3-2 = C7H15O-2-2 + C7H15O-3-2
7.00E+12 0 -1000
C7H15-2B + C7H15OO-4-2 = C7H15O-2-2 + C7H15O-4-2
7.00E+12 0 -1000
C7H15-2B + C7H15OO-5-2 = C7H15O-2-2 + C7H15O-5-2
7.00E+12 0 -1000
C7H15-2B + C7H15OO-6-2 = C7H15O-2-2 + C7H15O-6-2
7.00E+12 0 -1000
C7H15-2C + C7H15OO-1-2 = C7H15O-3-2 + C7H15O-1-2
7.00E+12 0 -1000
C7H15-2C + C7H15OO-2-2 = C7H15O-3-2 + C7H15O-2-2
7.00E+12 0 -1000
C7H15-2C + C7H15OO-3-2 = C7H15O-3-2 + C7H15O-3-2
7.00E+12 0 -1000
C7H15-2C + C7H15OO-4-2 = C7H15O-3-2 + C7H15O-4-2
7.00E+12 0 -1000
C7H15-2C + C7H15OO-5-2 = C7H15O-3-2 + C7H15O-5-2
7.00E+12 0 -1000
C7H15-2C + C7H15OO-6-2 = C7H15O-3-2 + C7H15O-6-2
7.00E+12 0 -1000
!
C7H15-2D + C7H15OO-1-2 = C7H15O-4-2 + C7H15O-1-2
7.00E+12 0 -1000
C7H15-2D + C7H15OO-2-2 = C7H15O-4-2 + C7H15O-2-2
7.00E+12 0 -1000
C7H15-2D + C7H15OO-3-2 = C7H15O-4-2 + C7H15O-3-2
7.00E+12 0 -1000
C7H15-2D + C7H15OO-4-2 = C7H15O-4-2 + C7H15O-4-2
7.00E+12 0 -1000
C7H15-2D + C7H15OO-5-2 = C7H15O-4-2 + C7H15O-5-2
7.00E+12 0 -1000
C7H15-2D + C7H15OO-6-2 = C7H15O-4-2 + C7H15O-6-2
7.00E+12 0 -1000
!
!
C7H15-2E + C7H15OO-1-2 = C7H15O-5-2 + C7H15O-1-2
7.00E+12 0 -1000
C7H15-2E + C7H15OO-2-2 = C7H15O-5-2 + C7H15O-2-2
7.00E+12 0 -1000
C7H15-2E + C7H15OO-3-2 = C7H15O-5-2 + C7H15O-3-2
7.00E+12 0 -1000
C7H15-2E + C7H15OO-4-2 = C7H15O-5-2 + C7H15O-4-2
7.00E+12 0 -1000
C7H15-2E + C7H15OO-5-2 = C7H15O-5-2 + C7H15O-5-2
7.00E+12 0 -1000
C7H15-2E + C7H15OO-6-2 = C7H15O-5-2 + C7H15O-6-2
7.00E+12 0 -1000
!
!
C7H15-2F + C7H15OO-1-2 = C7H15O-6-2 + C7H15O-1-2
7.00E+12 0 -1000
C7H15-2F + C7H15OO-2-2 = C7H15O-6-2 + C7H15O-2-2
7.00E+12 0 -1000
C7H15-2F + C7H15OO-3-2 = C7H15O-6-2 + C7H15O-3-2
7.00E+12 0 -1000
C7H15-2F + C7H15OO-4-2 = C7H15O-6-2 + C7H15O-4-2
7.00E+12 0 -1000
C7H15-2F + C7H15OO-5-2 = C7H15O-6-2 + C7H15O-5-2
7.00E+12 0 -1000
C7H15-2F + C7H15OO-6-2 = C7H15O-6-2 + C7H15O-6-2
7.00E+12 0 -1000
!
! 2-METHYLHEPTANE
!
!
!
!
!
! CLASS 12 R. + R'OO. = RO. + R'O.
! ADDITION OF ALKYL RADICAL (R.) WITH ALKYLPEROXY RADICAL (R'OO.) TO FORM TWO
RO MOLECULES.
!
!
!
!
!
C8H17-2A + C8H17OO-1-2 = C8H17O-1-2 + C8H17O-1-2
7.00E+12 0 -1000
C8H17-2A + C8H17OO-2-2 = C8H17O-1-2 + C8H17O-2-2
7.00E+12 0 -1000
C8H17-2A + C8H17OO-3-2 = C8H17O-1-2 + C8H17O-3-2
7.00E+12 0 -1000
C8H17-2A + C8H17OO-4-2 = C8H17O-1-2 + C8H17O-4-2
7.00E+12 0 -1000
C8H17-2A + C8H17OO-5-2 = C8H17O-1-2 + C8H17O-5-2
7.00E+12 0 -1000
C8H17-2A + C8H17OO-6-2 = C8H17O-1-2 + C8H17O-6-2
7.00E+12 0 -1000
C8H17-2A + C8H17OO-7-2 = C8H17O-1-2 + C8H17O-7-2
7.00E+12 0 -1000
!
!
!
!
!
!
!
C8H17-2B + C8H17OO-1-2 = C8H17O-2-2 + C8H17O-1-2
7.00E+12 0 -1000
C8H17-2B + C8H17OO-2-2 = C8H17O-2-2 + C8H17O-2-2
7.00E+12 0 -1000
C8H17-2B + C8H17OO-3-2 = C8H17O-2-2 + C8H17O-3-2
7.00E+12 0 -1000
C8H17-2B + C8H17OO-4-2 = C8H17O-2-2 + C8H17O-4-2
7.00E+12 0 -1000
C8H17-2B + C8H17OO-5-2 = C8H17O-2-2 + C8H17O-5-2
7.00E+12 0 -1000
C8H17-2B + C8H17OO-6-2 = C8H17O-2-2 + C8H17O-6-2
7.00E+12 0 -1000
C8H17-2B + C8H17OO-7-2 = C8H17O-2-2 + C8H17O-7-2
7.00E+12 0 -1000
!
!
!
!
!
!
!
C8H17-2C + C8H17OO-1-2 = C8H17O-3-2 + C8H17O-1-2
7.00E+12 0 -1000
C8H17-2C + C8H17OO-2-2 = C8H17O-3-2 + C8H17O-2-2
7.00E+12 0 -1000
C8H17-2C + C8H17OO-3-2 = C8H17O-3-2 + C8H17O-3-2
7.00E+12 0 -1000
C8H17-2C + C8H17OO-4-2 = C8H17O-3-2 + C8H17O-4-2
7.00E+12 0 -1000
C8H17-2C + C8H17OO-5-2 = C8H17O-3-2 + C8H17O-5-2
7.00E+12 0 -1000
C8H17-2C + C8H17OO-6-2 = C8H17O-3-2 + C8H17O-6-2
7.00E+12 0 -1000
C8H17-2C + C8H17OO-7-2 = C8H17O-3-2 + C8H17O-7-2
7.00E+12 0 -1000
!
!
!
!
!
!
!
C8H17-2D + C8H17OO-1-2 = C8H17O-4-2 + C8H17O-1-2
7.00E+12 0 -1000
C8H17-2D + C8H17OO-2-2 = C8H17O-4-2 + C8H17O-2-2
7.00E+12 0 -1000
C8H17-2D + C8H17OO-3-2 = C8H17O-4-2 + C8H17O-3-2
7.00E+12 0 -1000
C8H17-2D + C8H17OO-4-2 = C8H17O-4-2 + C8H17O-4-2
7.00E+12 0 -1000
C8H17-2D + C8H17OO-5-2 = C8H17O-4-2 + C8H17O-5-2
7.00E+12 0 -1000
C8H17-2D + C8H17OO-6-2 = C8H17O-4-2 + C8H17O-6-2
7.00E+12 0 -1000
C8H17-2D + C8H17OO-7-2 = C8H17O-4-2 + C8H17O-7-2
7.00E+12 0 -1000
!
!
!
!
!
!
!
C8H17-2E + C8H17OO-1-2 = C8H17O-5-2 + C8H17O-1-2
7.00E+12 0 -1000
C8H17-2E + C8H17OO-2-2 = C8H17O-5-2 + C8H17O-2-2
7.00E+12 0 -1000
C8H17-2E + C8H17OO-3-2 = C8H17O-5-2 + C8H17O-3-2
7.00E+12 0 -1000
C8H17-2E + C8H17OO-4-2 = C8H17O-5-2 + C8H17O-4-2
7.00E+12 0 -1000
C8H17-2E + C8H17OO-5-2 = C8H17O-5-2 + C8H17O-5-2
7.00E+12 0 -1000
C8H17-2E + C8H17OO-6-2 = C8H17O-5-2 + C8H17O-6-2
7.00E+12 0 -1000
C8H17-2E + C8H17OO-7-2 = C8H17O-5-2 + C8H17O-7-2
7.00E+12 0 -1000
!
!
!
!
!
!
!
C8H17-2F + C8H17OO-1-2 = C8H17O-6-2 + C8H17O-1-2
7.00E+12 0 -1000
C8H17-2F + C8H17OO-2-2 = C8H17O-6-2 + C8H17O-2-2
7.00E+12 0 -1000
C8H17-2F + C8H17OO-3-2 = C8H17O-6-2 + C8H17O-3-2
7.00E+12 0 -1000
C8H17-2F + C8H17OO-4-2 = C8H17O-6-2 + C8H17O-4-2
7.00E+12 0 -1000
C8H17-2F + C8H17OO-5-2 = C8H17O-6-2 + C8H17O-5-2
7.00E+12 0 -1000
C8H17-2F + C8H17OO-6-2 = C8H17O-6-2 + C8H17O-6-2
7.00E+12 0 -1000
C8H17-2F + C8H17OO-7-2 = C8H17O-6-2 + C8H17O-7-2
7.00E+12 0 -1000
!
!
!
!
!
!
!
C8H17-2G + C8H17OO-1-2 = C8H17O-7-2 + C8H17O-1-2
7.00E+12 0 -1000
C8H17-2G + C8H17OO-2-2 = C8H17O-7-2 + C8H17O-2-2
7.00E+12 0 -1000
C8H17-2G + C8H17OO-3-2 = C8H17O-7-2 + C8H17O-3-2
7.00E+12 0 -1000
C8H17-2G + C8H17OO-4-2 = C8H17O-7-2 + C8H17O-4-2
7.00E+12 0 -1000
C8H17-2G + C8H17OO-5-2 = C8H17O-7-2 + C8H17O-5-2
7.00E+12 0 -1000
C8H17-2G + C8H17OO-6-2 = C8H17O-7-2 + C8H17O-6-2
7.00E+12 0 -1000
C8H17-2G + C8H17OO-7-2 = C8H17O-7-2 + C8H17O-7-2
7.00E+12 0 -1000
!
!
!
!
!
!
!
!
! 2-METHYLOCTANE
!
!
!
!
!
!
! CLASS 12 R. + R'OO. = RO. + R'O.
! ADDITION OF ALKYL RADICAL (R.) WITH ALKYLPEROXY RADICAL (R'OO.) TO FORM TWO
RO MOLECULES.
!
!
!
!
!
C9H19-2A + C9H19OO-1-2 = C9H19O-1-2 + C9H19O-1-2
7.00E+12 0 -1000
C9H19-2A + C9H19OO-2-2 = C9H19O-1-2 + C9H19O-2-2
7.00E+12 0 -1000
C9H19-2A + C9H19OO-3-2 = C9H19O-1-2 + C9H19O-3-2
7.00E+12 0 -1000
C9H19-2A + C9H19OO-4-2 = C9H19O-1-2 + C9H19O-4-2
7.00E+12 0 -1000
C9H19-2A + C9H19OO-5-2 = C9H19O-1-2 + C9H19O-5-2
7.00E+12 0 -1000
C9H19-2A + C9H19OO-6-2 = C9H19O-1-2 + C9H19O-6-2
7.00E+12 0 -1000
C9H19-2A + C9H19OO-7-2 = C9H19O-1-2 + C9H19O-7-2
7.00E+12 0 -1000
C9H19-2A + C9H19OO-8-2 = C9H19O-1-2 + C9H19O-8-2
7.00E+12 0 -1000
!
!
!
!
!
!
C9H19-2B + C9H19OO-1-2 = C9H19O-2-2 + C9H19O-1-2
7.00E+12 0 -1000
C9H19-2B + C9H19OO-2-2 = C9H19O-2-2 + C9H19O-2-2
7.00E+12 0 -1000
C9H19-2B + C9H19OO-3-2 = C9H19O-2-2 + C9H19O-3-2
7.00E+12 0 -1000
C9H19-2B + C9H19OO-4-2 = C9H19O-2-2 + C9H19O-4-2
7.00E+12 0 -1000
C9H19-2B + C9H19OO-5-2 = C9H19O-2-2 + C9H19O-5-2
7.00E+12 0 -1000
C9H19-2B + C9H19OO-6-2 = C9H19O-2-2 + C9H19O-6-2
7.00E+12 0 -1000
C9H19-2B + C9H19OO-7-2 = C9H19O-2-2 + C9H19O-7-2
7.00E+12 0 -1000
C9H19-2B + C9H19OO-8-2 = C9H19O-2-2 + C9H19O-8-2
7.00E+12 0 -1000
!
!
!
!
!
!
C9H19-2C + C9H19OO-1-2 = C9H19O-3-2 + C9H19O-1-2
7.00E+12 0 -1000
C9H19-2C + C9H19OO-2-2 = C9H19O-3-2 + C9H19O-2-2
7.00E+12 0 -1000
C9H19-2C + C9H19OO-3-2 = C9H19O-3-2 + C9H19O-3-2
7.00E+12 0 -1000
C9H19-2C + C9H19OO-4-2 = C9H19O-3-2 + C9H19O-4-2
7.00E+12 0 -1000
C9H19-2C + C9H19OO-5-2 = C9H19O-3-2 + C9H19O-5-2
7.00E+12 0 -1000
C9H19-2C + C9H19OO-6-2 = C9H19O-3-2 + C9H19O-6-2
7.00E+12 0 -1000
C9H19-2C + C9H19OO-7-2 = C9H19O-3-2 + C9H19O-7-2
7.00E+12 0 -1000
C9H19-2C + C9H19OO-8-2 = C9H19O-3-2 + C9H19O-8-2
7.00E+12 0 -1000
!
!
!
!
!
!
C9H19-2D + C9H19OO-1-2 = C9H19O-4-2 + C9H19O-1-2
7.00E+12 0 -1000
C9H19-2D + C9H19OO-2-2 = C9H19O-4-2 + C9H19O-2-2
7.00E+12 0 -1000
C9H19-2D + C9H19OO-3-2 = C9H19O-4-2 + C9H19O-3-2
7.00E+12 0 -1000
C9H19-2D + C9H19OO-4-2 = C9H19O-4-2 + C9H19O-4-2
7.00E+12 0 -1000
C9H19-2D + C9H19OO-5-2 = C9H19O-4-2 + C9H19O-5-2
7.00E+12 0 -1000
C9H19-2D + C9H19OO-6-2 = C9H19O-4-2 + C9H19O-6-2
7.00E+12 0 -1000
C9H19-2D + C9H19OO-7-2 = C9H19O-4-2 + C9H19O-7-2
7.00E+12 0 -1000
C9H19-2D + C9H19OO-8-2 = C9H19O-4-2 + C9H19O-8-2
7.00E+12 0 -1000
!
!
!
!
!
!
C9H19-2E + C9H19OO-1-2 = C9H19O-5-2 + C9H19O-1-2
7.00E+12 0 -1000
C9H19-2E + C9H19OO-2-2 = C9H19O-5-2 + C9H19O-2-2
7.00E+12 0 -1000
C9H19-2E + C9H19OO-3-2 = C9H19O-5-2 + C9H19O-3-2
7.00E+12 0 -1000
C9H19-2E + C9H19OO-4-2 = C9H19O-5-2 + C9H19O-4-2
7.00E+12 0 -1000
C9H19-2E + C9H19OO-5-2 = C9H19O-5-2 + C9H19O-5-2
7.00E+12 0 -1000
C9H19-2E + C9H19OO-6-2 = C9H19O-5-2 + C9H19O-6-2
7.00E+12 0 -1000
C9H19-2E + C9H19OO-7-2 = C9H19O-5-2 + C9H19O-7-2
7.00E+12 0 -1000
C9H19-2E + C9H19OO-8-2 = C9H19O-5-2 + C9H19O-8-2
7.00E+12 0 -1000
!
!
!
!
!
!
C9H19-2F + C9H19OO-1-2 = C9H19O-6-2 + C9H19O-1-2
7.00E+12 0 -1000
C9H19-2F + C9H19OO-2-2 = C9H19O-6-2 + C9H19O-2-2
7.00E+12 0 -1000
C9H19-2F + C9H19OO-3-2 = C9H19O-6-2 + C9H19O-3-2
7.00E+12 0 -1000
C9H19-2F + C9H19OO-4-2 = C9H19O-6-2 + C9H19O-4-2
7.00E+12 0 -1000
C9H19-2F + C9H19OO-5-2 = C9H19O-6-2 + C9H19O-5-2
7.00E+12 0 -1000
C9H19-2F + C9H19OO-6-2 = C9H19O-6-2 + C9H19O-6-2
7.00E+12 0 -1000
C9H19-2F + C9H19OO-7-2 = C9H19O-6-2 + C9H19O-7-2
7.00E+12 0 -1000
C9H19-2F + C9H19OO-8-2 = C9H19O-6-2 + C9H19O-8-2
7.00E+12 0 -1000
!
!
!
!
!
!
C9H19-2G + C9H19OO-1-2 = C9H19O-7-2 + C9H19O-1-2
7.00E+12 0 -1000
C9H19-2G + C9H19OO-2-2 = C9H19O-7-2 + C9H19O-2-2
7.00E+12 0 -1000
C9H19-2G + C9H19OO-3-2 = C9H19O-7-2 + C9H19O-3-2
7.00E+12 0 -1000
C9H19-2G + C9H19OO-4-2 = C9H19O-7-2 + C9H19O-4-2
7.00E+12 0 -1000
C9H19-2G + C9H19OO-5-2 = C9H19O-7-2 + C9H19O-5-2
7.00E+12 0 -1000
C9H19-2G + C9H19OO-6-2 = C9H19O-7-2 + C9H19O-6-2
7.00E+12 0 -1000
C9H19-2G + C9H19OO-7-2 = C9H19O-7-2 + C9H19O-7-2
7.00E+12 0 -1000
C9H19-2G + C9H19OO-8-2 = C9H19O-7-2 + C9H19O-8-2
7.00E+12 0 -1000
!
!
!
!
!
!
C9H19-2H + C9H19OO-1-2 = C9H19O-8-2 + C9H19O-1-2
7.00E+12 0 -1000
C9H19-2H + C9H19OO-2-2 = C9H19O-8-2 + C9H19O-2-2
7.00E+12 0 -1000
C9H19-2H + C9H19OO-3-2 = C9H19O-8-2 + C9H19O-3-2
7.00E+12 0 -1000
C9H19-2H + C9H19OO-4-2 = C9H19O-8-2 + C9H19O-4-2
7.00E+12 0 -1000
C9H19-2H + C9H19OO-5-2 = C9H19O-8-2 + C9H19O-5-2
7.00E+12 0 -1000
C9H19-2H + C9H19OO-6-2 = C9H19O-8-2 + C9H19O-6-2
7.00E+12 0 -1000
C9H19-2H + C9H19OO-7-2 = C9H19O-8-2 + C9H19O-7-2
7.00E+12 0 -1000
C9H19-2H + C9H19OO-8-2 = C9H19O-8-2 + C9H19O-8-2
7.00E+12 0 -1000
!
! 2-METHYLNONANE
!
!
!
!
!
!
! CLASS 12 R. + R'OO. = RO. + R'O.
! ADDITION OF ALKYL RADICAL (R.) WITH ALKYLPEROXY RADICAL (R'OO.) TO FORM TWO
RO MOLECULES.
!
!
!
!
!
!
C10H21-2A + C10H21OO-1-2 = C10H21O-1-2 + C10H21O-1-2
7.00E+12 0 -1000
C10H21-2A + C10H21OO-2-2 = C10H21O-1-2 + C10H21O-2-2
7.00E+12 0 -1000
C10H21-2A + C10H21OO-3-2 = C10H21O-1-2 + C10H21O-3-2
7.00E+12 0 -1000
C10H21-2A + C10H21OO-4-2 = C10H21O-1-2 + C10H21O-4-2
7.00E+12 0 -1000
C10H21-2A + C10H21OO-5-2 = C10H21O-1-2 + C10H21O-5-2
7.00E+12 0 -1000
C10H21-2A + C10H21OO-6-2 = C10H21O-1-2 + C10H21O-6-2
7.00E+12 0 -1000
C10H21-2A + C10H21OO-7-2 = C10H21O-1-2 + C10H21O-7-2
7.00E+12 0 -1000
C10H21-2A + C10H21OO-8-2 = C10H21O-1-2 + C10H21O-8-2
7.00E+12 0 -1000
C10H21-2A + C10H21OO-9-2 = C10H21O-1-2 + C10H21O-9-2
7.00E+12 0 -1000
!
!
!
!
!
C10H21-2B + C10H21OO-1-2 = C10H21O-2-2 + C10H21O-1-2
7.00E+12 0 -1000
C10H21-2B + C10H21OO-2-2 = C10H21O-2-2 + C10H21O-2-2
7.00E+12 0 -1000
C10H21-2B + C10H21OO-3-2 = C10H21O-2-2 + C10H21O-3-2
7.00E+12 0 -1000
C10H21-2B + C10H21OO-4-2 = C10H21O-2-2 + C10H21O-4-2
7.00E+12 0 -1000
C10H21-2B + C10H21OO-5-2 = C10H21O-2-2 + C10H21O-5-2
7.00E+12 0 -1000
C10H21-2B + C10H21OO-6-2 = C10H21O-2-2 + C10H21O-6-2
7.00E+12 0 -1000
C10H21-2B + C10H21OO-7-2 = C10H21O-2-2 + C10H21O-7-2
7.00E+12 0 -1000
C10H21-2B + C10H21OO-8-2 = C10H21O-2-2 + C10H21O-8-2
7.00E+12 0 -1000
C10H21-2B + C10H21OO-9-2 = C10H21O-2-2 + C10H21O-9-2
7.00E+12 0 -1000
!
!
!
!
!
C10H21-2C + C10H21OO-1-2 = C10H21O-3-2 + C10H21O-1-2
7.00E+12 0 -1000
C10H21-2C + C10H21OO-2-2 = C10H21O-3-2 + C10H21O-2-2
7.00E+12 0 -1000
C10H21-2C + C10H21OO-3-2 = C10H21O-3-2 + C10H21O-3-2
7.00E+12 0 -1000
C10H21-2C + C10H21OO-4-2 = C10H21O-3-2 + C10H21O-4-2
7.00E+12 0 -1000
C10H21-2C + C10H21OO-5-2 = C10H21O-3-2 + C10H21O-5-2
7.00E+12 0 -1000
C10H21-2C + C10H21OO-6-2 = C10H21O-3-2 + C10H21O-6-2
7.00E+12 0 -1000
C10H21-2C + C10H21OO-7-2 = C10H21O-3-2 + C10H21O-7-2
7.00E+12 0 -1000
C10H21-2C + C10H21OO-8-2 = C10H21O-3-2 + C10H21O-8-2
7.00E+12 0 -1000
C10H21-2C + C10H21OO-9-2 = C10H21O-3-2 + C10H21O-9-2
7.00E+12 0 -1000
!
!
!
!
!
C10H21-2D + C10H21OO-1-2 = C10H21O-4-2 + C10H21O-1-2
7.00E+12 0 -1000
C10H21-2D + C10H21OO-2-2 = C10H21O-4-2 + C10H21O-2-2
7.00E+12 0 -1000
C10H21-2D + C10H21OO-3-2 = C10H21O-4-2 + C10H21O-3-2
7.00E+12 0 -1000
C10H21-2D + C10H21OO-4-2 = C10H21O-4-2 + C10H21O-4-2
7.00E+12 0 -1000
C10H21-2D + C10H21OO-5-2 = C10H21O-4-2 + C10H21O-5-2
7.00E+12 0 -1000
C10H21-2D + C10H21OO-6-2 = C10H21O-4-2 + C10H21O-6-2
7.00E+12 0 -1000
C10H21-2D + C10H21OO-7-2 = C10H21O-4-2 + C10H21O-7-2
7.00E+12 0 -1000
C10H21-2D + C10H21OO-8-2 = C10H21O-4-2 + C10H21O-8-2
7.00E+12 0 -1000
C10H21-2D + C10H21OO-9-2 = C10H21O-4-2 + C10H21O-9-2
7.00E+12 0 -1000
!
!
!
!
!
C10H21-2E + C10H21OO-1-2 = C10H21O-5-2 + C10H21O-1-2
7.00E+12 0 -1000
C10H21-2E + C10H21OO-2-2 = C10H21O-5-2 + C10H21O-2-2
7.00E+12 0 -1000
C10H21-2E + C10H21OO-3-2 = C10H21O-5-2 + C10H21O-3-2
7.00E+12 0 -1000
C10H21-2E + C10H21OO-4-2 = C10H21O-5-2 + C10H21O-4-2
7.00E+12 0 -1000
C10H21-2E + C10H21OO-5-2 = C10H21O-5-2 + C10H21O-5-2
7.00E+12 0 -1000
C10H21-2E + C10H21OO-6-2 = C10H21O-5-2 + C10H21O-6-2
7.00E+12 0 -1000
C10H21-2E + C10H21OO-7-2 = C10H21O-5-2 + C10H21O-7-2
7.00E+12 0 -1000
C10H21-2E + C10H21OO-8-2 = C10H21O-5-2 + C10H21O-8-2
7.00E+12 0 -1000
C10H21-2E + C10H21OO-9-2 = C10H21O-5-2 + C10H21O-9-2
7.00E+12 0 -1000
!
!
!
!
!
C10H21-2F + C10H21OO-1-2 = C10H21O-6-2 + C10H21O-1-2
7.00E+12 0 -1000
C10H21-2F + C10H21OO-2-2 = C10H21O-6-2 + C10H21O-2-2
7.00E+12 0 -1000
C10H21-2F + C10H21OO-3-2 = C10H21O-6-2 + C10H21O-3-2
7.00E+12 0 -1000
C10H21-2F + C10H21OO-4-2 = C10H21O-6-2 + C10H21O-4-2
7.00E+12 0 -1000
C10H21-2F + C10H21OO-5-2 = C10H21O-6-2 + C10H21O-5-2
7.00E+12 0 -1000
C10H21-2F + C10H21OO-6-2 = C10H21O-6-2 + C10H21O-6-2
7.00E+12 0 -1000
C10H21-2F + C10H21OO-7-2 = C10H21O-6-2 + C10H21O-7-2
7.00E+12 0 -1000
C10H21-2F + C10H21OO-8-2 = C10H21O-6-2 + C10H21O-8-2
7.00E+12 0 -1000
C10H21-2F + C10H21OO-9-2 = C10H21O-6-2 + C10H21O-9-2
7.00E+12 0 -1000
!
!
!
!
!
C10H21-2H + C10H21OO-1-2 = C10H21O-7-2 + C10H21O-1-2
7.00E+12 0 -1000
C10H21-2H + C10H21OO-2-2 = C10H21O-7-2 + C10H21O-2-2
7.00E+12 0 -1000
C10H21-2H + C10H21OO-3-2 = C10H21O-7-2 + C10H21O-3-2
7.00E+12 0 -1000
C10H21-2H + C10H21OO-4-2 = C10H21O-7-2 + C10H21O-4-2
7.00E+12 0 -1000
C10H21-2H + C10H21OO-5-2 = C10H21O-7-2 + C10H21O-5-2
7.00E+12 0 -1000
C10H21-2H + C10H21OO-6-2 = C10H21O-7-2 + C10H21O-6-2
7.00E+12 0 -1000
C10H21-2H + C10H21OO-7-2 = C10H21O-7-2 + C10H21O-7-2
7.00E+12 0 -1000
C10H21-2H + C10H21OO-8-2 = C10H21O-7-2 + C10H21O-8-2
7.00E+12 0 -1000
C10H21-2H + C10H21OO-9-2 = C10H21O-7-2 + C10H21O-9-2
7.00E+12 0 -1000
!
!
!
!
!
C10H21-2I + C10H21OO-1-2 = C10H21O-8-2 + C10H21O-1-2
7.00E+12 0 -1000
C10H21-2I + C10H21OO-2-2 = C10H21O-8-2 + C10H21O-2-2
7.00E+12 0 -1000
C10H21-2I + C10H21OO-3-2 = C10H21O-8-2 + C10H21O-3-2
7.00E+12 0 -1000
C10H21-2I + C10H21OO-4-2 = C10H21O-8-2 + C10H21O-4-2
7.00E+12 0 -1000
C10H21-2I + C10H21OO-5-2 = C10H21O-8-2 + C10H21O-5-2
7.00E+12 0 -1000
C10H21-2I + C10H21OO-6-2 = C10H21O-8-2 + C10H21O-6-2
7.00E+12 0 -1000
C10H21-2I + C10H21OO-7-2 = C10H21O-8-2 + C10H21O-7-2
7.00E+12 0 -1000
C10H21-2I + C10H21OO-8-2 = C10H21O-8-2 + C10H21O-8-2
7.00E+12 0 -1000
C10H21-2I + C10H21OO-9-2 = C10H21O-8-2 + C10H21O-9-2
7.00E+12 0 -1000
!
!
!
!
!
!
!
!
! 2-METHYLDECANE
!
!
!
!
!
!
! CLASS 12 R. + R'OO. = RO. + R'O.
! ADDITION OF ALKYL RADICAL (R.) WITH ALKYLPEROXY RADICAL (R'OO.) TO FORM TWO
RO MOLECULES.
!
!
!
!
!
C11H23-2A + C11H23OO-1-2 = C11H23O-1-2 + C11H23O-1-2
7.00E+12 0 -1000
C11H23-2A + C11H23OO-2-2 = C11H23O-1-2 + C11H23O-2-2
7.00E+12 0 -1000
C11H23-2A + C11H23OO-3-2 = C11H23O-1-2 + C11H23O-3-2
7.00E+12 0 -1000
C11H23-2A + C11H23OO-4-2 = C11H23O-1-2 + C11H23O-4-2
7.00E+12 0 -1000
C11H23-2A + C11H23OO-5-2 = C11H23O-1-2 + C11H23O-5-2
7.00E+12 0 -1000
C11H23-2A + C11H23OO-6-2 = C11H23O-1-2 + C11H23O-6-2
7.00E+12 0 -1000
C11H23-2A + C11H23OO-7-2 = C11H23O-1-2 + C11H23O-7-2
7.00E+12 0 -1000
C11H23-2A + C11H23OO-8-2 = C11H23O-1-2 + C11H23O-8-2
7.00E+12 0 -1000
C11H23-2A + C11H23OO-9-2 = C11H23O-1-2 + C11H23O-9-2
7.00E+12 0 -1000
C11H23-2A + C11H23OO-10-2 = C11H23O-1-2 + C11H23O-10-2
7.00E+12 0 -1000
!
!
!
!
C11H23-2B + C11H23OO-1-2 = C11H23O-2-2 + C11H23O-1-2
7.00E+12 0 -1000
C11H23-2B + C11H23OO-2-2 = C11H23O-2-2 + C11H23O-2-2
7.00E+12 0 -1000
C11H23-2B + C11H23OO-3-2 = C11H23O-2-2 + C11H23O-3-2
7.00E+12 0 -1000
C11H23-2B + C11H23OO-4-2 = C11H23O-2-2 + C11H23O-4-2
7.00E+12 0 -1000
C11H23-2B + C11H23OO-5-2 = C11H23O-2-2 + C11H23O-5-2
7.00E+12 0 -1000
C11H23-2B + C11H23OO-6-2 = C11H23O-2-2 + C11H23O-6-2
7.00E+12 0 -1000
C11H23-2B + C11H23OO-7-2 = C11H23O-2-2 + C11H23O-7-2
7.00E+12 0 -1000
C11H23-2B + C11H23OO-8-2 = C11H23O-2-2 + C11H23O-8-2
7.00E+12 0 -1000
C11H23-2B + C11H23OO-9-2 = C11H23O-2-2 + C11H23O-9-2
7.00E+12 0 -1000
C11H23-2B + C11H23OO-10-2 = C11H23O-2-2 + C11H23O-10-2
7.00E+12 0 -1000
!
!
!
!
C11H23-2C + C11H23OO-1-2 = C11H23O-3-2 + C11H23O-1-2
7.00E+12 0 -1000
C11H23-2C + C11H23OO-2-2 = C11H23O-3-2 + C11H23O-2-2
7.00E+12 0 -1000
C11H23-2C + C11H23OO-3-2 = C11H23O-3-2 + C11H23O-3-2
7.00E+12 0 -1000
C11H23-2C + C11H23OO-4-2 = C11H23O-3-2 + C11H23O-4-2
7.00E+12 0 -1000
C11H23-2C + C11H23OO-5-2 = C11H23O-3-2 + C11H23O-5-2
7.00E+12 0 -1000
C11H23-2C + C11H23OO-6-2 = C11H23O-3-2 + C11H23O-6-2
7.00E+12 0 -1000
C11H23-2C + C11H23OO-7-2 = C11H23O-3-2 + C11H23O-7-2
7.00E+12 0 -1000
C11H23-2C + C11H23OO-8-2 = C11H23O-3-2 + C11H23O-8-2
7.00E+12 0 -1000
C11H23-2C + C11H23OO-9-2 = C11H23O-3-2 + C11H23O-9-2
7.00E+12 0 -1000
C11H23-2C + C11H23OO-10-2 = C11H23O-3-2 + C11H23O-10-2
7.00E+12 0 -1000
!
!
!
!
C11H23-2D + C11H23OO-1-2 = C11H23O-4-2 + C11H23O-1-2
7.00E+12 0 -1000
C11H23-2D + C11H23OO-2-2 = C11H23O-4-2 + C11H23O-2-2
7.00E+12 0 -1000
C11H23-2D + C11H23OO-3-2 = C11H23O-4-2 + C11H23O-3-2
7.00E+12 0 -1000
C11H23-2D + C11H23OO-4-2 = C11H23O-4-2 + C11H23O-4-2
7.00E+12 0 -1000
C11H23-2D + C11H23OO-5-2 = C11H23O-4-2 + C11H23O-5-2
7.00E+12 0 -1000
C11H23-2D + C11H23OO-6-2 = C11H23O-4-2 + C11H23O-6-2
7.00E+12 0 -1000
C11H23-2D + C11H23OO-7-2 = C11H23O-4-2 + C11H23O-7-2
7.00E+12 0 -1000
C11H23-2D + C11H23OO-8-2 = C11H23O-4-2 + C11H23O-8-2
7.00E+12 0 -1000
C11H23-2D + C11H23OO-9-2 = C11H23O-4-2 + C11H23O-9-2
7.00E+12 0 -1000
C11H23-2D + C11H23OO-10-2 = C11H23O-4-2 + C11H23O-10-2
7.00E+12 0 -1000
!
!
!
!
C11H23-2E + C11H23OO-1-2 = C11H23O-5-2 + C11H23O-1-2
7.00E+12 0 -1000
C11H23-2E + C11H23OO-2-2 = C11H23O-5-2 + C11H23O-2-2
7.00E+12 0 -1000
C11H23-2E + C11H23OO-3-2 = C11H23O-5-2 + C11H23O-3-2
7.00E+12 0 -1000
C11H23-2E + C11H23OO-4-2 = C11H23O-5-2 + C11H23O-4-2
7.00E+12 0 -1000
C11H23-2E + C11H23OO-5-2 = C11H23O-5-2 + C11H23O-5-2
7.00E+12 0 -1000
C11H23-2E + C11H23OO-6-2 = C11H23O-5-2 + C11H23O-6-2
7.00E+12 0 -1000
C11H23-2E + C11H23OO-7-2 = C11H23O-5-2 + C11H23O-7-2
7.00E+12 0 -1000
C11H23-2E + C11H23OO-8-2 = C11H23O-5-2 + C11H23O-8-2
7.00E+12 0 -1000
C11H23-2E + C11H23OO-9-2 = C11H23O-5-2 + C11H23O-9-2
7.00E+12 0 -1000
C11H23-2E + C11H23OO-10-2 = C11H23O-5-2 + C11H23O-10-2
7.00E+12 0 -1000
!
!
!
!
C11H23-2F + C11H23OO-1-2 = C11H23O-6-2 + C11H23O-1-2
7.00E+12 0 -1000
C11H23-2F + C11H23OO-2-2 = C11H23O-6-2 + C11H23O-2-2
7.00E+12 0 -1000
C11H23-2F + C11H23OO-3-2 = C11H23O-6-2 + C11H23O-3-2
7.00E+12 0 -1000
C11H23-2F + C11H23OO-4-2 = C11H23O-6-2 + C11H23O-4-2
7.00E+12 0 -1000
C11H23-2F + C11H23OO-5-2 = C11H23O-6-2 + C11H23O-5-2
7.00E+12 0 -1000
C11H23-2F + C11H23OO-6-2 = C11H23O-6-2 + C11H23O-6-2
7.00E+12 0 -1000
C11H23-2F + C11H23OO-7-2 = C11H23O-6-2 + C11H23O-7-2
7.00E+12 0 -1000
C11H23-2F + C11H23OO-8-2 = C11H23O-6-2 + C11H23O-8-2
7.00E+12 0 -1000
C11H23-2F + C11H23OO-9-2 = C11H23O-6-2 + C11H23O-9-2
7.00E+12 0 -1000
C11H23-2F + C11H23OO-10-2 = C11H23O-6-2 + C11H23O-10-2
7.00E+12 0 -1000
!
!
!
!
C11H23-2G + C11H23OO-1-2 = C11H23O-7-2 + C11H23O-1-2
7.00E+12 0 -1000
C11H23-2G + C11H23OO-2-2 = C11H23O-7-2 + C11H23O-2-2
7.00E+12 0 -1000
C11H23-2G + C11H23OO-3-2 = C11H23O-7-2 + C11H23O-3-2
7.00E+12 0 -1000
C11H23-2G + C11H23OO-4-2 = C11H23O-7-2 + C11H23O-4-2
7.00E+12 0 -1000
C11H23-2G + C11H23OO-5-2 = C11H23O-7-2 + C11H23O-5-2
7.00E+12 0 -1000
C11H23-2G + C11H23OO-6-2 = C11H23O-7-2 + C11H23O-6-2
7.00E+12 0 -1000
C11H23-2G + C11H23OO-7-2 = C11H23O-7-2 + C11H23O-7-2
7.00E+12 0 -1000
C11H23-2G + C11H23OO-8-2 = C11H23O-7-2 + C11H23O-8-2
7.00E+12 0 -1000
C11H23-2G + C11H23OO-9-2 = C11H23O-7-2 + C11H23O-9-2
7.00E+12 0 -1000
C11H23-2G + C11H23OO-10-2 = C11H23O-7-2 + C11H23O-10-2
7.00E+12 0 -1000
!
!
!
!
C11H23-2H + C11H23OO-1-2 = C11H23O-8-2 + C11H23O-1-2
7.00E+12 0 -1000
C11H23-2H + C11H23OO-2-2 = C11H23O-8-2 + C11H23O-2-2
7.00E+12 0 -1000
C11H23-2H + C11H23OO-3-2 = C11H23O-8-2 + C11H23O-3-2
7.00E+12 0 -1000
C11H23-2H + C11H23OO-4-2 = C11H23O-8-2 + C11H23O-4-2
7.00E+12 0 -1000
C11H23-2H + C11H23OO-5-2 = C11H23O-8-2 + C11H23O-5-2
7.00E+12 0 -1000
C11H23-2H + C11H23OO-6-2 = C11H23O-8-2 + C11H23O-6-2
7.00E+12 0 -1000
C11H23-2H + C11H23OO-7-2 = C11H23O-8-2 + C11H23O-7-2
7.00E+12 0 -1000
C11H23-2H + C11H23OO-8-2 = C11H23O-8-2 + C11H23O-8-2
7.00E+12 0 -1000
C11H23-2H + C11H23OO-9-2 = C11H23O-8-2 + C11H23O-9-2
7.00E+12 0 -1000
C11H23-2H + C11H23OO-10-2 = C11H23O-8-2 + C11H23O-10-2
7.00E+12 0 -1000
!
!
!
!
C11H23-2I + C11H23OO-1-2 = C11H23O-9-2 + C11H23O-1-2
7.00E+12 0 -1000
C11H23-2I + C11H23OO-2-2 = C11H23O-9-2 + C11H23O-2-2
7.00E+12 0 -1000
C11H23-2I + C11H23OO-3-2 = C11H23O-9-2 + C11H23O-3-2
7.00E+12 0 -1000
C11H23-2I + C11H23OO-4-2 = C11H23O-9-2 + C11H23O-4-2
7.00E+12 0 -1000
C11H23-2I + C11H23OO-5-2 = C11H23O-9-2 + C11H23O-5-2
7.00E+12 0 -1000
C11H23-2I + C11H23OO-6-2 = C11H23O-9-2 + C11H23O-6-2
7.00E+12 0 -1000
C11H23-2I + C11H23OO-7-2 = C11H23O-9-2 + C11H23O-7-2
7.00E+12 0 -1000
C11H23-2I + C11H23OO-8-2 = C11H23O-9-2 + C11H23O-8-2
7.00E+12 0 -1000
C11H23-2I + C11H23OO-9-2 = C11H23O-9-2 + C11H23O-9-2
7.00E+12 0 -1000
C11H23-2I + C11H23OO-10-2 = C11H23O-9-2 + C11H23O-10-2
7.00E+12 0 -1000
!
!
!
!
C11H23-2J + C11H23OO-1-2 = C11H23O-10-2 + C11H23O-1-2
7.00E+12 0 -1000
C11H23-2J + C11H23OO-2-2 = C11H23O-10-2 + C11H23O-2-2
7.00E+12 0 -1000
C11H23-2J + C11H23OO-3-2 = C11H23O-10-2 + C11H23O-3-2
7.00E+12 0 -1000
C11H23-2J + C11H23OO-4-2 = C11H23O-10-2 + C11H23O-4-2
7.00E+12 0 -1000
C11H23-2J + C11H23OO-5-2 = C11H23O-10-2 + C11H23O-5-2
7.00E+12 0 -1000
C11H23-2J + C11H23OO-6-2 = C11H23O-10-2 + C11H23O-6-2
7.00E+12 0 -1000
C11H23-2J + C11H23OO-7-2 = C11H23O-10-2 + C11H23O-7-2
7.00E+12 0 -1000
C11H23-2J + C11H23OO-8-2 = C11H23O-10-2 + C11H23O-8-2
7.00E+12 0 -1000
C11H23-2J + C11H23OO-9-2 = C11H23O-10-2 + C11H23O-9-2
7.00E+12 0 -1000
C11H23-2J + C11H23OO-10-2 = C11H23O-10-2 + C11H23O-10-2
7.00E+12 0 -1000
!
!
!
!
!
!
! 2-METHYLDODECANE
!
!
!
!
!
!
! CLASS 12 R. + R'OO. = RO. + R'O.
! ADDITION OF ALKYL RADICAL (R.) WITH ALKYLPEROXY RADICAL (R'OO.) TO FORM TWO
RO MOLECULES.
!
!
!
!
!
C12H25-2A + C12H25OO-1-2 = C12H25O-1-2 + C12H25O-1-2
7.00E+12 0 -1000
C12H25-2A + C12H25OO-2-2 = C12H25O-1-2 + C12H25O-2-2
7.00E+12 0 -1000
C12H25-2A + C12H25OO-3-2 = C12H25O-1-2 + C12H25O-3-2
7.00E+12 0 -1000
C12H25-2A + C12H25OO-4-2 = C12H25O-1-2 + C12H25O-4-2
7.00E+12 0 -1000
C12H25-2A + C12H25OO-5-2 = C12H25O-1-2 + C12H25O-5-2
7.00E+12 0 -1000
C12H25-2A + C12H25OO-6-2 = C12H25O-1-2 + C12H25O-6-2
7.00E+12 0 -1000
C12H25-2A + C12H25OO-7-2 = C12H25O-1-2 + C12H25O-7-2
7.00E+12 0 -1000
C12H25-2A + C12H25OO-8-2 = C12H25O-1-2 + C12H25O-8-2
7.00E+12 0 -1000
C12H25-2A + C12H25OO-9-2 = C12H25O-1-2 + C12H25O-9-2
7.00E+12 0 -1000
C12H25-2A + C12H25OO-10-2 = C12H25O-1-2 + C12H25O-10-2
7.00E+12 0 -1000
C12H25-2A + C12H25OO-11-2 = C12H25O-1-2 + C12H25O-11-2
7.00E+12 0 -1000
!
!
!
C12H25-2B + C12H25OO-1-2 = C12H25O-2-2 + C12H25O-1-2
7.00E+12 0 -1000
C12H25-2B + C12H25OO-2-2 = C12H25O-2-2 + C12H25O-2-2
7.00E+12 0 -1000
C12H25-2B + C12H25OO-3-2 = C12H25O-2-2 + C12H25O-3-2
7.00E+12 0 -1000
C12H25-2B + C12H25OO-4-2 = C12H25O-2-2 + C12H25O-4-2
7.00E+12 0 -1000
C12H25-2B + C12H25OO-5-2 = C12H25O-2-2 + C12H25O-5-2
7.00E+12 0 -1000
C12H25-2B + C12H25OO-6-2 = C12H25O-2-2 + C12H25O-6-2
7.00E+12 0 -1000
C12H25-2B + C12H25OO-7-2 = C12H25O-2-2 + C12H25O-7-2
7.00E+12 0 -1000
C12H25-2B + C12H25OO-8-2 = C12H25O-2-2 + C12H25O-8-2
7.00E+12 0 -1000
C12H25-2B + C12H25OO-9-2 = C12H25O-2-2 + C12H25O-9-2
7.00E+12 0 -1000
C12H25-2B + C12H25OO-10-2 = C12H25O-2-2 + C12H25O-10-2
7.00E+12 0 -1000
C12H25-2B + C12H25OO-11-2 = C12H25O-2-2 + C12H25O-11-2
7.00E+12 0 -1000
!
!
!
C12H25-2C + C12H25OO-1-2 = C12H25O-3-2 + C12H25O-1-2
7.00E+12 0 -1000
C12H25-2C + C12H25OO-2-2 = C12H25O-3-2 + C12H25O-2-2
7.00E+12 0 -1000
C12H25-2C + C12H25OO-3-2 = C12H25O-3-2 + C12H25O-3-2
7.00E+12 0 -1000
C12H25-2C + C12H25OO-4-2 = C12H25O-3-2 + C12H25O-4-2
7.00E+12 0 -1000
C12H25-2C + C12H25OO-5-2 = C12H25O-3-2 + C12H25O-5-2
7.00E+12 0 -1000
C12H25-2C + C12H25OO-6-2 = C12H25O-3-2 + C12H25O-6-2
7.00E+12 0 -1000
C12H25-2C + C12H25OO-7-2 = C12H25O-3-2 + C12H25O-7-2
7.00E+12 0 -1000
C12H25-2C + C12H25OO-8-2 = C12H25O-3-2 + C12H25O-8-2
7.00E+12 0 -1000
C12H25-2C + C12H25OO-9-2 = C12H25O-3-2 + C12H25O-9-2
7.00E+12 0 -1000
C12H25-2C + C12H25OO-10-2 = C12H25O-3-2 + C12H25O-10-2
7.00E+12 0 -1000
C12H25-2C + C12H25OO-11-2 = C12H25O-3-2 + C12H25O-11-2
7.00E+12 0 -1000
!
!
!
C12H25-2D + C12H25OO-1-2 = C12H25O-4-2 + C12H25O-1-2
7.00E+12 0 -1000
C12H25-2D + C12H25OO-2-2 = C12H25O-4-2 + C12H25O-2-2
7.00E+12 0 -1000
C12H25-2D + C12H25OO-3-2 = C12H25O-4-2 + C12H25O-3-2
7.00E+12 0 -1000
C12H25-2D + C12H25OO-4-2 = C12H25O-4-2 + C12H25O-4-2
7.00E+12 0 -1000
C12H25-2D + C12H25OO-5-2 = C12H25O-4-2 + C12H25O-5-2
7.00E+12 0 -1000
C12H25-2D + C12H25OO-6-2 = C12H25O-4-2 + C12H25O-6-2
7.00E+12 0 -1000
C12H25-2D + C12H25OO-7-2 = C12H25O-4-2 + C12H25O-7-2
7.00E+12 0 -1000
C12H25-2D + C12H25OO-8-2 = C12H25O-4-2 + C12H25O-8-2
7.00E+12 0 -1000
C12H25-2D + C12H25OO-9-2 = C12H25O-4-2 + C12H25O-9-2
7.00E+12 0 -1000
C12H25-2D + C12H25OO-10-2 = C12H25O-4-2 + C12H25O-10-2
7.00E+12 0 -1000
C12H25-2D + C12H25OO-11-2 = C12H25O-4-2 + C12H25O-11-2
7.00E+12 0 -1000
!
!
!
C12H25-2E + C12H25OO-1-2 = C12H25O-5-2 + C12H25O-1-2
7.00E+12 0 -1000
C12H25-2E + C12H25OO-2-2 = C12H25O-5-2 + C12H25O-2-2
7.00E+12 0 -1000
C12H25-2E + C12H25OO-3-2 = C12H25O-5-2 + C12H25O-3-2
7.00E+12 0 -1000
C12H25-2E + C12H25OO-4-2 = C12H25O-5-2 + C12H25O-4-2
7.00E+12 0 -1000
C12H25-2E + C12H25OO-5-2 = C12H25O-5-2 + C12H25O-5-2
7.00E+12 0 -1000
C12H25-2E + C12H25OO-6-2 = C12H25O-5-2 + C12H25O-6-2
7.00E+12 0 -1000
C12H25-2E + C12H25OO-7-2 = C12H25O-5-2 + C12H25O-7-2
7.00E+12 0 -1000
C12H25-2E + C12H25OO-8-2 = C12H25O-5-2 + C12H25O-8-2
7.00E+12 0 -1000
C12H25-2E + C12H25OO-9-2 = C12H25O-5-2 + C12H25O-9-2
7.00E+12 0 -1000
C12H25-2E + C12H25OO-10-2 = C12H25O-5-2 + C12H25O-10-2
7.00E+12 0 -1000
C12H25-2E + C12H25OO-11-2 = C12H25O-5-2 + C12H25O-11-2
7.00E+12 0 -1000
!
!
!
C12H25-2F + C12H25OO-1-2 = C12H25O-6-2 + C12H25O-1-2
7.00E+12 0 -1000
C12H25-2F + C12H25OO-2-2 = C12H25O-6-2 + C12H25O-2-2
7.00E+12 0 -1000
C12H25-2F + C12H25OO-3-2 = C12H25O-6-2 + C12H25O-3-2
7.00E+12 0 -1000
C12H25-2F + C12H25OO-4-2 = C12H25O-6-2 + C12H25O-4-2
7.00E+12 0 -1000
C12H25-2F + C12H25OO-5-2 = C12H25O-6-2 + C12H25O-5-2
7.00E+12 0 -1000
C12H25-2F + C12H25OO-6-2 = C12H25O-6-2 + C12H25O-6-2
7.00E+12 0 -1000
C12H25-2F + C12H25OO-7-2 = C12H25O-6-2 + C12H25O-7-2
7.00E+12 0 -1000
C12H25-2F + C12H25OO-8-2 = C12H25O-6-2 + C12H25O-8-2
7.00E+12 0 -1000
C12H25-2F + C12H25OO-9-2 = C12H25O-6-2 + C12H25O-9-2
7.00E+12 0 -1000
C12H25-2F + C12H25OO-10-2 = C12H25O-6-2 + C12H25O-10-2
7.00E+12 0 -1000
C12H25-2F + C12H25OO-11-2 = C12H25O-6-2 + C12H25O-11-2
7.00E+12 0 -1000
!
!
!
C12H25-2G + C12H25OO-1-2 = C12H25O-7-2 + C12H25O-1-2
7.00E+12 0 -1000
C12H25-2G + C12H25OO-2-2 = C12H25O-7-2 + C12H25O-2-2
7.00E+12 0 -1000
C12H25-2G + C12H25OO-3-2 = C12H25O-7-2 + C12H25O-3-2
7.00E+12 0 -1000
C12H25-2G + C12H25OO-4-2 = C12H25O-7-2 + C12H25O-4-2
7.00E+12 0 -1000
C12H25-2G + C12H25OO-5-2 = C12H25O-7-2 + C12H25O-5-2
7.00E+12 0 -1000
C12H25-2G + C12H25OO-6-2 = C12H25O-7-2 + C12H25O-6-2
7.00E+12 0 -1000
C12H25-2G + C12H25OO-7-2 = C12H25O-7-2 + C12H25O-7-2
7.00E+12 0 -1000
C12H25-2G + C12H25OO-8-2 = C12H25O-7-2 + C12H25O-8-2
7.00E+12 0 -1000
C12H25-2G + C12H25OO-9-2 = C12H25O-7-2 + C12H25O-9-2
7.00E+12 0 -1000
C12H25-2G + C12H25OO-10-2 = C12H25O-7-2 + C12H25O-10-2
7.00E+12 0 -1000
C12H25-2G + C12H25OO-11-2 = C12H25O-7-2 + C12H25O-11-2
7.00E+12 0 -1000
!
!
!
C12H25-2H + C12H25OO-1-2 = C12H25O-8-2 + C12H25O-1-2
7.00E+12 0 -1000
C12H25-2H + C12H25OO-2-2 = C12H25O-8-2 + C12H25O-2-2
7.00E+12 0 -1000
C12H25-2H + C12H25OO-3-2 = C12H25O-8-2 + C12H25O-3-2
7.00E+12 0 -1000
C12H25-2H + C12H25OO-4-2 = C12H25O-8-2 + C12H25O-4-2
7.00E+12 0 -1000
C12H25-2H + C12H25OO-5-2 = C12H25O-8-2 + C12H25O-5-2
7.00E+12 0 -1000
C12H25-2H + C12H25OO-6-2 = C12H25O-8-2 + C12H25O-6-2
7.00E+12 0 -1000
C12H25-2H + C12H25OO-7-2 = C12H25O-8-2 + C12H25O-7-2
7.00E+12 0 -1000
C12H25-2H + C12H25OO-8-2 = C12H25O-8-2 + C12H25O-8-2
7.00E+12 0 -1000
C12H25-2H + C12H25OO-9-2 = C12H25O-8-2 + C12H25O-9-2
7.00E+12 0 -1000
C12H25-2H + C12H25OO-10-2 = C12H25O-8-2 + C12H25O-10-2
7.00E+12 0 -1000
C12H25-2H + C12H25OO-11-2 = C12H25O-8-2 + C12H25O-11-2
7.00E+12 0 -1000
!
!
!
C12H25-2I + C12H25OO-1-2 = C12H25O-9-2 + C12H25O-1-2
7.00E+12 0 -1000
C12H25-2I + C12H25OO-2-2 = C12H25O-9-2 + C12H25O-2-2
7.00E+12 0 -1000
C12H25-2I + C12H25OO-3-2 = C12H25O-9-2 + C12H25O-3-2
7.00E+12 0 -1000
C12H25-2I + C12H25OO-4-2 = C12H25O-9-2 + C12H25O-4-2
7.00E+12 0 -1000
C12H25-2I + C12H25OO-5-2 = C12H25O-9-2 + C12H25O-5-2
7.00E+12 0 -1000
C12H25-2I + C12H25OO-6-2 = C12H25O-9-2 + C12H25O-6-2
7.00E+12 0 -1000
C12H25-2I + C12H25OO-7-2 = C12H25O-9-2 + C12H25O-7-2
7.00E+12 0 -1000
C12H25-2I + C12H25OO-8-2 = C12H25O-9-2 + C12H25O-8-2
7.00E+12 0 -1000
C12H25-2I + C12H25OO-9-2 = C12H25O-9-2 + C12H25O-9-2
7.00E+12 0 -1000
C12H25-2I + C12H25OO-10-2 = C12H25O-9-2 + C12H25O-10-2
7.00E+12 0 -1000
C12H25-2I + C12H25OO-11-2 = C12H25O-9-2 + C12H25O-11-2
7.00E+12 0 -1000
!
!
!
C12H25-2J + C12H25OO-1-2 = C12H25O-10-2 + C12H25O-1-2
7.00E+12 0 -1000
C12H25-2J + C12H25OO-2-2 = C12H25O-10-2 + C12H25O-2-2
7.00E+12 0 -1000
C12H25-2J + C12H25OO-3-2 = C12H25O-10-2 + C12H25O-3-2
7.00E+12 0 -1000
C12H25-2J + C12H25OO-4-2 = C12H25O-10-2 + C12H25O-4-2
7.00E+12 0 -1000
C12H25-2J + C12H25OO-5-2 = C12H25O-10-2 + C12H25O-5-2
7.00E+12 0 -1000
C12H25-2J + C12H25OO-6-2 = C12H25O-10-2 + C12H25O-6-2
7.00E+12 0 -1000
C12H25-2J + C12H25OO-7-2 = C12H25O-10-2 + C12H25O-7-2
7.00E+12 0 -1000
C12H25-2J + C12H25OO-8-2 = C12H25O-10-2 + C12H25O-8-2
7.00E+12 0 -1000
C12H25-2J + C12H25OO-9-2 = C12H25O-10-2 + C12H25O-9-2
7.00E+12 0 -1000
C12H25-2J + C12H25OO-10-2 = C12H25O-10-2 + C12H25O-10-2
7.00E+12 0 -1000
C12H25-2J + C12H25OO-11-2 = C12H25O-10-2 + C12H25O-11-2
7.00E+12 0 -1000
!
!
!
C12H25-2K + C12H25OO-1-2 = C12H25O-11-2 + C12H25O-1-2
7.00E+12 0 -1000
C12H25-2K + C12H25OO-2-2 = C12H25O-11-2 + C12H25O-2-2
7.00E+12 0 -1000
C12H25-2K + C12H25OO-3-2 = C12H25O-11-2 + C12H25O-3-2
7.00E+12 0 -1000
C12H25-2K + C12H25OO-4-2 = C12H25O-11-2 + C12H25O-4-2
7.00E+12 0 -1000
C12H25-2K + C12H25OO-5-2 = C12H25O-11-2 + C12H25O-5-2
7.00E+12 0 -1000
C12H25-2K + C12H25OO-6-2 = C12H25O-11-2 + C12H25O-6-2
7.00E+12 0 -1000
C12H25-2K + C12H25OO-7-2 = C12H25O-11-2 + C12H25O-7-2
7.00E+12 0 -1000
C12H25-2K + C12H25OO-8-2 = C12H25O-11-2 + C12H25O-8-2
7.00E+12 0 -1000
C12H25-2K + C12H25OO-9-2 = C12H25O-11-2 + C12H25O-9-2
7.00E+12 0 -1000
C12H25-2K + C12H25OO-10-2 = C12H25O-11-2 + C12H25O-10-2
7.00E+12 0 -1000
C12H25-2K + C12H25OO-11-2 = C12H25O-11-2 + C12H25O-11-2
7.00E+12 0 -1000
!
!
!
!
!
! 2-METHYLHEXANE
!
!
!
!
!
!
!
!
!
!
!
!
!
!
! CLASS 13 R. + HOO. = RO. + OH.
!
!
C7H15OO-6-2 = C7OOH6-2B 1.95E+08 0.00 1.965E+04
C7H15OO-6-2 = C7OOH6-2C 3.125E+09 0.00 1.865E+04
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
! 2-METHYLHEPTANE
!
!
!
!
!
!
!
!
!
!
! CLASS 15 RO2 ISOMERIZATION
! ROO. = .QOOH
! H ATOM TRANSFERS FROM A CARBON TO THE O RADICAL SITE
!
!
C8H17OO-7-2 = C8OOH7-2C 3.906E+08 0.00 2.165E+04
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
! 2-METHYLOCTANE
!
!
!
!
!
!
!
!
!
!
!
!
!
!
! CLASS 15 RO2 ISOMERIZATION
! ROO. = .QOOH
! H ATOM TRANSFERS FROM A CARBON TO THE O RADICAL SITE
!
!
C9H19OO-7-2 = C9OOH7-2C 3.906E+08 0.00 2.165E+04
!
C9H19OO-8-2 = C9OOH8-2D 3.906E+08 0.00 2.165E+04
!
!
!
!
!
!
!
!
!
!
! 2-METHYLNONANE
!
!
!
!
!
!
!
!
!
!
! CLASS 15 RO2 ISOMERIZATION
! ROO. = .QOOH
! H ATOM TRANSFERS FROM A CARBON TO THE O RADICAL SITE
!
!
C10H21OO-6-2 = C10OOH6-2B 1.95E+08 0.00 1.965E+04
!
C10H21OO-8-2 = C10OOH8-2D 3.906E+08 0.00 2.165E+04
!
C10H21OO-9-2 = C10OOH9-2E 3.906E+08 0.00 2.165E+04
!
!
!
!
!
!
!
!
!
!
!
!
!
! 2-METHYLDECANE
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
! CLASS 15 RO2 ISOMERIZATION
! ROO. = .QOOH
! H ATOM TRANSFERS FROM A CARBON TO THE O RADICAL SITE
!
!
C11H23OO-6-2 = C11OOH6-2B 1.95E+08 0.00 1.965E+04
!
!
C11H23OO-7-2 = C11OOH7-2C 3.906E+08 0.00 2.165E+04
!
C11H23OO-9-2 = C11OOH9-2E 3.906E+08 0.00 2.165E+04
!
C11H23OO-10-2 = C11OOH10-2F 3.906E+08 0.00 2.165E+04
!
!
!
!
!
!
! 2-METHYLDODECANE
!
!
!
!
!
!
!
!
!
!
!
!
!
! CLASS 15 RO2 ISOMERIZATION
! ROO. = .QOOH
! H ATOM TRANSFERS FROM A CARBON TO THE O RADICAL SITE
!
!
C12H25OO-7-2 = C12OOH7-2C 3.906E+08 0.00 2.165E+04
!
C12H25OO-8-2 = C12OOH8-2D 3.906E+08 0.00 2.165E+04
C12H25OO-8-2 = C12OOH8-2E 3.125E+09 0.00 1.865E+04
!
C12H25OO-10-2 = C12OOH10-2F 3.906E+08 0.00 2.165E+04
!
!
!
C12H25OO-11-2 = C12OOH11-2G 3.906E+08 0.00 2.165E+04
!
!
!
!
!
!
! CLASS 16 RO2=HO2+ALKENE DIRECT ELIMINATION OF HO2 AND ALKENE FROM RO2
!
C7H15OO-1-2<=>C7H14-1-2+HO2 2.2650E+35 -7.220 3.944E+04
C7H15OO-2-2<=>C7H14-1-2+HO2 5.920E+42 -9.43 4.153E+04
C7H15OO-2-2<=>C7H14-2-2+HO2 4.308E+36 -7.50 3.951E+04
C7H15OO-3-2<=>C7H14-2-2+HO2 2.2650E+35 -7.220 3.944E+04
C7H15OO-3-2<=>C7H14-3-2+HO2 4.308E+36 -7.50 3.951E+04
C7H15OO-4-2<=>C7H14-3-2+HO2 4.308E+36 -7.50 3.951E+04
C7H15OO-4-2<=>C7H14-4-2+HO2 4.308E+36 -7.50 3.951E+04
C7H15OO-5-2<=>C7H14-4-2+HO2 4.308E+36 -7.50 3.951E+04
C7H15OO-5-2<=>C7H14-5-2+HO2 4.308E+36 -7.50 3.951E+04
C7H15OO-6-2<=>C7H14-5-2+HO2 4.308E+36 -7.50 3.951E+04
!
!
!
! CLASS 16 RO2=HO2+ALKENE DIRECT ELIMINATION OF HO2 AND ALKENE FROM RO2
!
C8H17OO-1-2<=>C8H16-1-2+HO2 2.2650E+35 -7.220 3.944E+04
C8H17OO-2-2<=>C8H16-1-2+HO2 5.920E+42 -9.43 4.153E+04
C8H17OO-2-2<=>C8H16-2-2+HO2 4.308E+36 -7.50 3.951E+04
C8H17OO-3-2<=>C8H16-2-2+HO2 2.2650E+35 -7.220 3.944E+04
C8H17OO-3-2<=>C8H16-3-2+HO2 4.308E+36 -7.50 3.951E+04
C8H17OO-4-2<=>C8H16-3-2+HO2 4.308E+36 -7.50 3.951E+04
C8H17OO-4-2<=>C8H16-4-2+HO2 4.308E+36 -7.50 3.951E+04
C8H17OO-5-2<=>C8H16-4-2+HO2 4.308E+36 -7.50 3.951E+04
C8H17OO-5-2<=>C8H16-5-2+HO2 4.308E+36 -7.50 3.951E+04
C8H17OO-6-2<=>C8H16-5-2+HO2 4.308E+36 -7.50 3.951E+04
C8H17OO-6-2<=>C8H16-6-2+HO2 4.308E+36 -7.50 3.951E+04
C8H17OO-7-2<=>C8H16-6-2+HO2 4.308E+36 -7.50 3.951E+04
!
!
!
C9H19OO-1-2<=>C9H18-1-2+HO2 2.2650E+35 -7.220 3.944E+04
C9H19OO-2-2<=>C9H18-1-2+HO2 5.920E+42 -9.43 4.153E+04
C9H19OO-2-2<=>C9H18-2-2+HO2 4.308E+36 -7.50 3.951E+04
C9H19OO-3-2<=>C9H18-2-2+HO2 2.2650E+35 -7.220 3.944E+04
C9H19OO-3-2<=>C9H18-3-2+HO2 4.308E+36 -7.50 3.951E+04
C9H19OO-4-2<=>C9H18-3-2+HO2 4.308E+36 -7.50 3.951E+04
C9H19OO-4-2<=>C9H18-4-2+HO2 4.308E+36 -7.50 3.951E+04
C9H19OO-5-2<=>C9H18-4-2+HO2 4.308E+36 -7.50 3.951E+04
C9H19OO-5-2<=>C9H18-5-2+HO2 4.308E+36 -7.50 3.951E+04
C9H19OO-6-2<=>C9H18-5-2+HO2 4.308E+36 -7.50 3.951E+04
C9H19OO-6-2<=>C9H18-6-2+HO2 4.308E+36 -7.50 3.951E+04
C9H19OO-7-2<=>C9H18-6-2+HO2 4.308E+36 -7.50 3.951E+04
C9H19OO-7-2<=>C9H18-7-2+HO2 4.308E+36 -7.50 3.951E+04
C9H19OO-8-2<=>C9H18-7-2+HO2 4.308E+36 -7.50 3.951E+04
!
! CLASS 16 RO2=HO2+ALKENE DIRECT ELIMINATION OF HO2 AND ALKENE FROM RO2
!
C10H21OO-1-2<=>C10H20-1-2+HO2 2.2650E+35 -7.220 3.944E+04
C10H21OO-2-2<=>C10H20-1-2+HO2 5.920E+42 -9.43 4.153E+04
C10H21OO-2-2<=>C10H20-2-2+HO2 4.308E+36 -7.50 3.951E+04
C10H21OO-3-2<=>C10H20-2-2+HO2 2.2650E+35 -7.220 3.944E+04
C10H21OO-3-2<=>C10H20-3-2+HO2 4.308E+36 -7.50 3.951E+04
C10H21OO-4-2<=>C10H20-3-2+HO2 4.308E+36 -7.50 3.951E+04
C10H21OO-4-2<=>C10H20-4-2+HO2 4.308E+36 -7.50 3.951E+04
C10H21OO-5-2<=>C10H20-4-2+HO2 4.308E+36 -7.50 3.951E+04
C10H21OO-5-2<=>C10H20-5-2+HO2 4.308E+36 -7.50 3.951E+04
C10H21OO-6-2<=>C10H20-5-2+HO2 4.308E+36 -7.50 3.951E+04
C10H21OO-6-2<=>C10H20-6-2+HO2 4.308E+36 -7.50 3.951E+04
C10H21OO-7-2<=>C10H20-6-2+HO2 4.308E+36 -7.50 3.951E+04
C10H21OO-7-2<=>C10H20-7-2+HO2 4.308E+36 -7.50 3.951E+04
C10H21OO-8-2<=>C10H20-7-2+HO2 4.308E+36 -7.50 3.951E+04
C10H21OO-8-2<=>C10H20-8-2+HO2 4.308E+36 -7.50 3.951E+04
C10H21OO-9-2<=>C10H20-8-2+HO2 4.308E+36 -7.50 3.951E+04
!
!
! ! CLASS 16 RO2=HO2+ALKENE DIRECT ELIMINATION OF HO2 AND ALKENE FROM RO2
!
C11H23OO-1-2<=>C11H22-1-2+HO2 2.2650E+35 -7.220 3.944E+04
C11H23OO-2-2<=>C11H22-1-2+HO2 5.920E+42 -9.43 4.153E+04
C11H23OO-2-2<=>C11H22-2-2+HO2 4.308E+36 -7.50 3.951E+04
C11H23OO-3-2<=>C11H22-2-2+HO2 2.2650E+35 -7.220 3.944E+04
C11H23OO-3-2<=>C11H22-3-2+HO2 4.308E+36 -7.50 3.951E+04
C11H23OO-4-2<=>C11H22-3-2+HO2 4.308E+36 -7.50 3.951E+04
C11H23OO-4-2<=>C11H22-4-2+HO2 4.308E+36 -7.50 3.951E+04
C11H23OO-5-2<=>C11H22-4-2+HO2 4.308E+36 -7.50 3.951E+04
C11H23OO-5-2<=>C11H22-5-2+HO2 4.308E+36 -7.50 3.951E+04
C11H23OO-6-2<=>C11H22-5-2+HO2 4.308E+36 -7.50 3.951E+04
C11H23OO-6-2<=>C11H22-6-2+HO2 4.308E+36 -7.50 3.951E+04
C11H23OO-7-2<=>C11H22-6-2+HO2 4.308E+36 -7.50 3.951E+04
C11H23OO-7-2<=>C11H22-7-2+HO2 4.308E+36 -7.50 3.951E+04
C11H23OO-8-2<=>C11H22-7-2+HO2 4.308E+36 -7.50 3.951E+04
!
C12H25OO-1-2<=>C12H24-1-2+HO2 2.2650E+35 -7.220 3.944E+04
C12H25OO-2-2<=>C12H24-1-2+HO2 5.920E+42 -9.43 4.153E+04
C12H25OO-2-2<=>C12H24-2-2+HO2 4.308E+36 -7.50 3.951E+04
C12H25OO-3-2<=>C12H24-2-2+HO2 2.2650E+35 -7.220 3.944E+04
C12H25OO-3-2<=>C12H24-3-2+HO2 4.308E+36 -7.50 3.951E+04
C12H25OO-4-2<=>C12H24-3-2+HO2 4.308E+36 -7.50 3.951E+04
C12H25OO-4-2<=>C12H24-4-2+HO2 4.308E+36 -7.50 3.951E+04
C12H25OO-5-2<=>C12H24-4-2+HO2 4.308E+36 -7.50 3.951E+04
C12H25OO-5-2<=>C12H24-5-2+HO2 4.308E+36 -7.50 3.951E+04
C12H25OO-6-2<=>C12H24-5-2+HO2 4.308E+36 -7.50 3.951E+04
C12H25OO-6-2<=>C12H24-6-2+HO2 4.308E+36 -7.50 3.951E+04
C12H25OO-7-2<=>C12H24-6-2+HO2 4.308E+36 -7.50 3.951E+04
C12H25OO-7-2<=>C12H24-7-2+HO2 4.308E+36 -7.50 3.951E+04
C12H25OO-8-2<=>C12H24-7-2+HO2 4.308E+36 -7.50 3.951E+04
!
C7H15OO-1-2 + H2O2 = C7H15OOH-1-2 + HO2 2.40E+12 0
1.00E+04
C7H15OO-2-2 + H2O2 = C7H15OOH-2-2 + HO2 2.40E+12 0
1.00E+04
C7H15OO-3-2 + H2O2 = C7H15OOH-3-2 + HO2 2.40E+12 0
1.00E+04
C7H15OO-4-2 + H2O2 = C7H15OOH-4-2 + HO2 2.40E+12 0
1.00E+04
C7H15OO-5-2 + H2O2 = C7H15OOH-5-2 + HO2 2.40E+12 0
1.00E+04
C7H15OO-6-2 + H2O2 = C7H15OOH-6-2 + HO2 2.40E+12 0
1.00E+04
!
!
! 2-METHYLHEPTANE
!
!
!
!
!
! CLASS 18 BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY
RADICALS
! ROO. + HOO. = ROOH + HO2
!
C8H17OO-1-2 + H2O2 = C8H17OOH-1-2 + HO2 2.40E+12 0
1.00E+04
C8H17OO-2-2 + H2O2 = C8H17OOH-2-2 + HO2 2.40E+12 0
1.00E+04
C8H17OO-3-2 + H2O2 = C8H17OOH-3-2 + HO2 2.40E+12 0
1.00E+04
C8H17OO-4-2 + H2O2 = C8H17OOH-4-2 + HO2 2.40E+12 0
1.00E+04
C8H17OO-5-2 + H2O2 = C8H17OOH-5-2 + HO2 2.40E+12 0
1.00E+04
C8H17OO-6-2 + H2O2 = C8H17OOH-6-2 + HO2 2.40E+12 0
1.00E+04
C8H17OO-7-2 + H2O2 = C8H17OOH-7-2 + HO2 2.40E+12 0
1.00E+04
!
!
! 2-METHYLOCTANE
!
!
!
!
! CLASS 18 BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY
RADICALS
! ROO. + HOO. = ROOH + HO2
!
C9H19OO-1-2 + H2O2 = C9H19OOH-1-2 + HO2 2.40E+12 0
1.00E+04
C9H19OO-2-2 + H2O2 = C9H19OOH-2-2 + HO2 2.40E+12 0
1.00E+04
C9H19OO-3-2 + H2O2 = C9H19OOH-3-2 + HO2 2.40E+12 0
1.00E+04
C9H19OO-4-2 + H2O2 = C9H19OOH-4-2 + HO2 2.40E+12 0
1.00E+04
C9H19OO-5-2 + H2O2 = C9H19OOH-5-2 + HO2 2.40E+12 0
1.00E+04
C9H19OO-6-2 + H2O2 = C9H19OOH-6-2 + HO2 2.40E+12 0
1.00E+04
C9H19OO-7-2 + H2O2 = C9H19OOH-7-2 + HO2 2.40E+12 0
1.00E+04
C9H19OO-8-2 + H2O2 = C9H19OOH-8-2 + HO2 2.40E+12 0
1.00E+04
!
!
! 2-METHYLNONANE
!
!
!
!
!
! CLASS 18 BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY
RADICALS
! ROO. + HOO. = ROOH + HO2
!
C10H21OO-1-2 + H2O2 = C10H21OOH-1-2 + HO2 2.40E+12
0 1.00E+04
C10H21OO-2-2 + H2O2 = C10H21OOH-2-2 + HO2 2.40E+12
0 1.00E+04
C10H21OO-3-2 + H2O2 = C10H21OOH-3-2 + HO2 2.40E+12
0 1.00E+04
C10H21OO-4-2 + H2O2 = C10H21OOH-4-2 + HO2 2.40E+12
0 1.00E+04
C10H21OO-5-2 + H2O2 = C10H21OOH-5-2 + HO2 2.40E+12
0 1.00E+04
C10H21OO-6-2 + H2O2 = C10H21OOH-6-2 + HO2 2.40E+12
0 1.00E+04
C10H21OO-7-2 + H2O2 = C10H21OOH-7-2 + HO2 2.40E+12
0 1.00E+04
C10H21OO-8-2 + H2O2 = C10H21OOH-8-2 + HO2 2.40E+12
0 1.00E+04
C10H21OO-9-2 + H2O2 = C10H21OOH-9-2 + HO2 2.40E+12
0 1.00E+04
!
!
! 2-METHYLDECANE
!
!
!
!
!
! CLASS 18 BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY
RADICALS
! ROO. + HOO. = ROOH + HO2
!
C11H23OO-1-2 + H2O2 = C11H23OOH-1-2 + HO2 2.40E+12
0 1.00E+04
C11H23OO-2-2 + H2O2 = C11H23OOH-2-2 + HO2 2.40E+12
0 1.00E+04
C11H23OO-3-2 + H2O2 = C11H23OOH-3-2 + HO2 2.40E+12
0 1.00E+04
C11H23OO-4-2 + H2O2 = C11H23OOH-4-2 + HO2 2.40E+12
0 1.00E+04
C11H23OO-5-2 + H2O2 = C11H23OOH-5-2 + HO2 2.40E+12
0 1.00E+04
C11H23OO-6-2 + H2O2 = C11H23OOH-6-2 + HO2 2.40E+12
0 1.00E+04
C11H23OO-7-2 + H2O2 = C11H23OOH-7-2 + HO2 2.40E+12
0 1.00E+04
C11H23OO-8-2 + H2O2 = C11H23OOH-8-2 + HO2 2.40E+12
0 1.00E+04
C11H23OO-9-2 + H2O2 = C11H23OOH-9-2 + HO2 2.40E+12
0 1.00E+04
C11H23OO-10-2 + H2O2 = C11H23OOH-10-2 + HO2 2.40E+12
0 1.00E+04
!
!
!
! 2-METHYLUNDECANE
!
!
!
!
!
!
! CLASS 18 BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY
RADICALS
! ROO. + HOO. = ROOH + HO2
!
C12H25OO-1-2 + H2O2 = C12H25OOH-1-2 + HO2 2.40E+12
0 1.00E+04
C12H25OO-2-2 + H2O2 = C12H25OOH-2-2 + HO2 2.40E+12
0 1.00E+04
C12H25OO-3-2 + H2O2 = C12H25OOH-3-2 + HO2 2.40E+12
0 1.00E+04
C12H25OO-4-2 + H2O2 = C12H25OOH-4-2 + HO2 2.40E+12
0 1.00E+04
C12H25OO-5-2 + H2O2 = C12H25OOH-5-2 + HO2 2.40E+12
0 1.00E+04
C12H25OO-6-2 + H2O2 = C12H25OOH-6-2 + HO2 2.40E+12
0 1.00E+04
C12H25OO-7-2 + H2O2 = C12H25OOH-7-2 + HO2 2.40E+12
0 1.00E+04
C12H25OO-8-2 + H2O2 = C12H25OOH-8-2 + HO2 2.40E+12
0 1.00E+04
C12H25OO-9-2 + H2O2 = C12H25OOH-9-2 + HO2 2.40E+12
0 1.00E+04
C12H25OO-10-2 + H2O2 = C12H25OOH-10-2 + HO2 2.40E+12
0 1.00E+04
C12H25OO-11-2 + H2O2 = C12H25OOH-11-2 + HO2 2.40E+12
0 1.00E+04
!
!
!
!
!
!
!
!
!
! 2-METHYLHEXANE
!
!
!
!
!
!
!
!
!
! CLASS 19 BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY
RADICALS
! ROO. + HOO. = ROOH + CH3O + O2
!
C7H15OO-1-2 + CH3O2 = C7H15O-1-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C7H15OO-2-2 + CH3O2 = C7H15O-2-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C7H15OO-3-2 + CH3O2 = C7H15O-3-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C7H15OO-4-2 + CH3O2 = C7H15O-4-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C7H15OO-5-2 + CH3O2 = C7H15O-5-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C7H15OO-6-2 + CH3O2 = C7H15O-6-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
!
!
! 2-METHYLHEPTANE
!
!
!
!
!
! CLASS 19 BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY
RADICALS
! ROO. + HOO. = ROOH + CH3O + O2
!
C8H17OO-1-2 + CH3O2 = C8H17O-1-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C8H17OO-2-2 + CH3O2 = C8H17O-2-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C8H17OO-3-2 + CH3O2 = C8H17O-3-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C8H17OO-4-2 + CH3O2 = C8H17O-4-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C8H17OO-5-2 + CH3O2 = C8H17O-5-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C8H17OO-6-2 + CH3O2 = C8H17O-6-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C8H17OO-7-2 + CH3O2 = C8H17O-7-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
!
!
! 2-METHYLOCTANE
!
!
!
!
! CLASS 19 BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY
RADICALS
! ROO. + HOO. = ROOH + CH3O + O2
!
C9H19OO-1-2 + CH3O2 = C9H19O-1-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C9H19OO-2-2 + CH3O2 = C9H19O-2-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C9H19OO-3-2 + CH3O2 = C9H19O-3-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C9H19OO-4-2 + CH3O2 = C9H19O-4-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C9H19OO-5-2 + CH3O2 = C9H19O-5-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C9H19OO-6-2 + CH3O2 = C9H19O-6-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C9H19OO-7-2 + CH3O2 = C9H19O-7-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C9H19OO-8-2 + CH3O2 = C9H19O-8-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
!
!
! 2-METHYLNONANE
!
!
!
!
!
! CLASS 19 BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY
RADICALS
! ROO. + HOO. = ROOH + CH3O + O2
!
C10H21OO-1-2 + CH3O2 = C10H21O-1-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C10H21OO-2-2 + CH3O2 = C10H21O-2-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C10H21OO-3-2 + CH3O2 = C10H21O-3-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C10H21OO-4-2 + CH3O2 = C10H21O-4-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C10H21OO-5-2 + CH3O2 = C10H21O-5-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C10H21OO-6-2 + CH3O2 = C10H21O-6-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C10H21OO-7-2 + CH3O2 = C10H21O-7-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C10H21OO-8-2 + CH3O2 = C10H21O-8-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C10H21OO-9-2 + CH3O2 = C10H21O-9-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
!
!
! 2-METHYLDECANE
!
!
!
!
!
! CLASS 19 BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY
RADICALS
! ROO. + HOO. = ROOH + CH3O + O2
!
C11H23OO-1-2 + CH3O2 = C11H23O-1-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C11H23OO-2-2 + CH3O2 = C11H23O-2-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C11H23OO-3-2 + CH3O2 = C11H23O-3-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C11H23OO-4-2 + CH3O2 = C11H23O-4-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C11H23OO-5-2 + CH3O2 = C11H23O-5-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C11H23OO-6-2 + CH3O2 = C11H23O-6-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C11H23OO-7-2 + CH3O2 = C11H23O-7-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C11H23OO-8-2 + CH3O2 = C11H23O-8-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C11H23OO-9-2 + CH3O2 = C11H23O-9-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C11H23OO-10-2 + CH3O2 = C11H23O-10-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
!
!
!
! 2-METHYLUNDECANE
!
!
!
!
!
!
! CLASS 19 BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY
RADICALS
! ROO. + HOO. = ROOH + CH3O + O2
!
C12H25OO-1-2 + CH3O2 = C12H25O-1-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C12H25OO-2-2 + CH3O2 = C12H25O-2-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C12H25OO-3-2 + CH3O2 = C12H25O-3-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C12H25OO-4-2 + CH3O2 = C12H25O-4-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C12H25OO-5-2 + CH3O2 = C12H25O-5-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C12H25OO-6-2 + CH3O2 = C12H25O-6-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C12H25OO-7-2 + CH3O2 = C12H25O-7-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C12H25OO-8-2 + CH3O2 = C12H25O-8-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C12H25OO-9-2 + CH3O2 = C12H25O-9-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C12H25OO-10-2 + CH3O2 = C12H25O-10-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
C12H25OO-11-2 + CH3O2 = C12H25O-11-2 + CH3O + O2
1.400E+16 -1.61 1.860E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
!
! 2-METHYLHEXANE
!
!
!
!
!
!
!
! CLASS 20 BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND
HYDROPEROXY RADICALS
! ROO. + HOO. = ROOH + O2
!
!
!
C7H15OO-1-2 + C7H15OO-1-2 = C7H15O-1-2 + C7H15O-1-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C7H15OO-1-2 + C7H15OO-2-2 = C7H15O-1-2 + C7H15O-2-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C7H15OO-1-2 + C7H15OO-3-2 = C7H15O-1-2 + C7H15O-3-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C7H15OO-1-2 + C7H15OO-4-2 = C7H15O-1-2 + C7H15O-4-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C7H15OO-1-2 + C7H15OO-5-2 = C7H15O-1-2 + C7H15O-5-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C7H15OO-1-2 + C7H15OO-6-2 = C7H15O-1-2 + C7H15O-6-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
!
C7H15OO-2-2 + C7H15OO-2-2 = C7H15O-2-2 + C7H15O-2-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C7H15OO-2-2 + C7H15OO-3-2 = C7H15O-2-2 + C7H15O-3-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C7H15OO-2-2 + C7H15OO-4-2 = C7H15O-2-2 + C7H15O-4-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C7H15OO-2-2 + C7H15OO-5-2 = C7H15O-2-2 + C7H15O-5-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C7H15OO-2-2 + C7H15OO-6-2 = C7H15O-2-2 + C7H15O-6-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
!
C7H15OO-3-2 + C7H15OO-3-2 = C7H15O-3-2 + C7H15O-3-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C7H15OO-3-2 + C7H15OO-4-2 = C7H15O-3-2 + C7H15O-4-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C7H15OO-3-2 + C7H15OO-5-2 = C7H15O-3-2 + C7H15O-5-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C7H15OO-3-2 + C7H15OO-6-2 = C7H15O-3-2 + C7H15O-6-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
!
!
C7H15OO-4-2 + C7H15OO-4-2 = C7H15O-4-2 + C7H15O-4-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C7H15OO-4-2 + C7H15OO-5-2 = C7H15O-4-2 + C7H15O-5-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C7H15OO-4-2 + C7H15OO-6-2 = C7H15O-4-2 + C7H15O-6-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
!
C7H15OO-5-2 + C7H15OO-5-2 = C7H15O-5-2 + C7H15O-5-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C7H15OO-5-2 + C7H15OO-6-2 = C7H15O-5-2 + C7H15O-6-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
!
!
C7H15OO-6-2 + C7H15OO-6-2 = C7H15O-6-2 + C7H15O-6-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
! 2-METHYLHEPTANE
!
!
!
!
!
! CLASS 20 BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY
RADICALS
! ROO. + HOO. = ROOH + O2
!
!
!
C8H17OO-1-2 + C8H17OO-1-2 = C8H17O-1-2 + C8H17O-1-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C8H17OO-1-2 + C8H17OO-2-2 = C8H17O-1-2 + C8H17O-2-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C8H17OO-1-2 + C8H17OO-3-2 = C8H17O-1-2 + C8H17O-3-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C8H17OO-1-2 + C8H17OO-4-2 = C8H17O-1-2 + C8H17O-4-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C8H17OO-1-2 + C8H17OO-5-2 = C8H17O-1-2 + C8H17O-5-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C8H17OO-1-2 + C8H17OO-6-2 = C8H17O-1-2 + C8H17O-6-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C8H17OO-1-2 + C8H17OO-7-2 = C8H17O-1-2 + C8H17O-7-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
!
C8H17OO-2-2 + C8H17OO-2-2 = C8H17O-2-2 + C8H17O-2-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C8H17OO-2-2 + C8H17OO-3-2 = C8H17O-2-2 + C8H17O-3-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C8H17OO-2-2 + C8H17OO-4-2 = C8H17O-2-2 + C8H17O-4-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C8H17OO-2-2 + C8H17OO-5-2 = C8H17O-2-2 + C8H17O-5-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C8H17OO-2-2 + C8H17OO-6-2 = C8H17O-2-2 + C8H17O-6-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C8H17OO-2-2 + C8H17OO-7-2 = C8H17O-2-2 + C8H17O-7-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
!
C8H17OO-3-2 + C8H17OO-3-2 = C8H17O-3-2 + C8H17O-3-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C8H17OO-3-2 + C8H17OO-4-2 = C8H17O-3-2 + C8H17O-4-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C8H17OO-3-2 + C8H17OO-5-2 = C8H17O-3-2 + C8H17O-5-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C8H17OO-3-2 + C8H17OO-6-2 = C8H17O-3-2 + C8H17O-6-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C8H17OO-3-2 + C8H17OO-7-2 = C8H17O-3-2 + C8H17O-7-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
!
C8H17OO-4-2 + C8H17OO-4-2 = C8H17O-4-2 + C8H17O-4-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C8H17OO-4-2 + C8H17OO-5-2 = C8H17O-4-2 + C8H17O-5-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C8H17OO-4-2 + C8H17OO-6-2 = C8H17O-4-2 + C8H17O-6-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C8H17OO-4-2 + C8H17OO-7-2 = C8H17O-4-2 + C8H17O-7-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
!
C8H17OO-5-2 + C8H17OO-5-2 = C8H17O-5-2 + C8H17O-5-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C8H17OO-5-2 + C8H17OO-6-2 = C8H17O-5-2 + C8H17O-6-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C8H17OO-5-2 + C8H17OO-7-2 = C8H17O-5-2 + C8H17O-7-2 +
O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
!
!
!
!
C10H21OO-1-2 + C10H21OO-1-2 = C10H21O-1-2 + C10H21O-1-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C10H21OO-1-2 + C10H21OO-2-2 = C10H21O-1-2 + C10H21O-2-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C10H21OO-1-2 + C10H21OO-3-2 = C10H21O-1-2 + C10H21O-3-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C10H21OO-1-2 + C10H21OO-4-2 = C10H21O-1-2 + C10H21O-4-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C10H21OO-1-2 + C10H21OO-5-2 = C10H21O-1-2 + C10H21O-5-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C10H21OO-1-2 + C10H21OO-6-2 = C10H21O-1-2 + C10H21O-6-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C10H21OO-1-2 + C10H21OO-7-2 = C10H21O-1-2 + C10H21O-7-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C10H21OO-1-2 + C10H21OO-8-2 = C10H21O-1-2 + C10H21O-8-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C10H21OO-1-2 + C10H21OO-9-2 = C10H21O-1-2 + C10H21O-9-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
!
!
!
C10H21OO-2-2 + C10H21OO-2-2 = C10H21O-2-2 + C10H21O-2-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C10H21OO-2-2 + C10H21OO-3-2 = C10H21O-2-2 + C10H21O-3-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C10H21OO-2-2 + C10H21OO-4-2 = C10H21O-2-2 + C10H21O-4-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C10H21OO-2-2 + C10H21OO-5-2 = C10H21O-2-2 + C10H21O-5-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C10H21OO-2-2 + C10H21OO-6-2 = C10H21O-2-2 + C10H21O-6-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C10H21OO-2-2 + C10H21OO-7-2 = C10H21O-2-2 + C10H21O-7-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C10H21OO-2-2 + C10H21OO-8-2 = C10H21O-2-2 + C10H21O-8-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C10H21OO-2-2 + C10H21OO-9-2 = C10H21O-2-2 + C10H21O-9-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
!
!
!
!
!
C10H21OO-3-2 + C10H21OO-3-2 = C10H21O-3-2 + C10H21O-3-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C10H21OO-3-2 + C10H21OO-4-2 = C10H21O-3-2 + C10H21O-4-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C10H21OO-3-2 + C10H21OO-5-2 = C10H21O-3-2 + C10H21O-5-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C10H21OO-3-2 + C10H21OO-6-2 = C10H21O-3-2 + C10H21O-6-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C10H21OO-3-2 + C10H21OO-7-2 = C10H21O-3-2 + C10H21O-7-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C10H21OO-3-2 + C10H21OO-8-2 = C10H21O-3-2 + C10H21O-8-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C10H21OO-3-2 + C10H21OO-9-2 = C10H21O-3-2 + C10H21O-9-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
!
!
!
!
C10H21OO-4-2 + C10H21OO-4-2 = C10H21O-4-2 + C10H21O-4-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C10H21OO-4-2 + C10H21OO-5-2 = C10H21O-4-2 + C10H21O-5-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C10H21OO-4-2 + C10H21OO-6-2 = C10H21O-4-2 + C10H21O-6-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C10H21OO-4-2 + C10H21OO-7-2 = C10H21O-4-2 + C10H21O-7-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C10H21OO-4-2 + C10H21OO-8-2 = C10H21O-4-2 + C10H21O-8-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C10H21OO-4-2 + C10H21OO-9-2 = C10H21O-4-2 + C10H21O-9-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
!
!
C10H21OO-5-2 + C10H21OO-5-2 = C10H21O-5-2 + C10H21O-5-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C10H21OO-5-2 + C10H21OO-6-2 = C10H21O-5-2 + C10H21O-6-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C10H21OO-5-2 + C10H21OO-7-2 = C10H21O-5-2 + C10H21O-7-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C10H21OO-5-2 + C10H21OO-8-2 = C10H21O-5-2 + C10H21O-8-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C10H21OO-5-2 + C10H21OO-9-2 = C10H21O-5-2 + C10H21O-9-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
!
!
!
!
!
C10H21OO-6-2 + C10H21OO-6-2 = C10H21O-6-2 + C10H21O-6-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C10H21OO-6-2 + C10H21OO-7-2 = C10H21O-6-2 + C10H21O-7-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C10H21OO-6-2 + C10H21OO-8-2 = C10H21O-6-2 + C10H21O-8-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C10H21OO-6-2 + C10H21OO-9-2 = C10H21O-6-2 + C10H21O-9-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
!
!
C10H21OO-7-2 + C10H21OO-7-2 = C10H21O-7-2 + C10H21O-7-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C10H21OO-7-2 + C10H21OO-8-2 = C10H21O-7-2 + C10H21O-8-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C10H21OO-7-2 + C10H21OO-9-2 = C10H21O-7-2 + C10H21O-9-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
!
C10H21OO-8-2 + C10H21OO-8-2 = C10H21O-8-2 + C10H21O-8-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C10H21OO-8-2 + C10H21OO-9-2 = C10H21O-8-2 + C10H21O-9-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
!
!
!
C10H21OO-9-2 + C10H21OO-9-2 = C10H21O-9-2 + C10H21O-9-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
!
!
! 2-METHYLDECANE
!
!
!
!
!
!
!
!
!
!
!
!
! CLASS 20 BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY
RADICALS
! ROO. + HOO. = ROOH + O2
!
!
!
C11H23OO-1-2 + C11H23OO-1-2 = C11H23O-1-2 + C11H23O-1-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-1-2 + C11H23OO-2-2 = C11H23O-1-2 + C11H23O-2-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-1-2 + C11H23OO-3-2 = C11H23O-1-2 + C11H23O-3-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-1-2 + C11H23OO-4-2 = C11H23O-1-2 + C11H23O-4-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-1-2 + C11H23OO-5-2 = C11H23O-1-2 + C11H23O-5-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-1-2 + C11H23OO-6-2 = C11H23O-1-2 + C11H23O-6-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-1-2 + C11H23OO-7-2 = C11H23O-1-2 + C11H23O-7-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-1-2 + C11H23OO-8-2 = C11H23O-1-2 + C11H23O-8-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-1-2 + C11H23OO-9-2 = C11H23O-1-2 + C11H23O-9-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-1-2 + C11H23OO-10-2 = C11H23O-1-2 + C11H23O-10-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
!
!
!
C11H23OO-2-2 + C11H23OO-2-2 = C11H23O-2-2 + C11H23O-2-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-2-2 + C11H23OO-3-2 = C11H23O-2-2 + C11H23O-3-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-2-2 + C11H23OO-4-2 = C11H23O-2-2 + C11H23O-4-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-2-2 + C11H23OO-5-2 = C11H23O-2-2 + C11H23O-5-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-2-2 + C11H23OO-6-2 = C11H23O-2-2 + C11H23O-6-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-2-2 + C11H23OO-7-2 = C11H23O-2-2 + C11H23O-7-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-2-2 + C11H23OO-8-2 = C11H23O-2-2 + C11H23O-8-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-2-2 + C11H23OO-9-2 = C11H23O-2-2 + C11H23O-9-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-2-2 + C11H23OO-10-2 = C11H23O-2-2 + C11H23O-10-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
!
!
C11H23OO-3-2 + C11H23OO-3-2 = C11H23O-3-2 + C11H23O-3-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-3-2 + C11H23OO-4-2 = C11H23O-3-2 + C11H23O-4-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-3-2 + C11H23OO-5-2 = C11H23O-3-2 + C11H23O-5-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-3-2 + C11H23OO-6-2 = C11H23O-3-2 + C11H23O-6-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-3-2 + C11H23OO-7-2 = C11H23O-3-2 + C11H23O-7-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-3-2 + C11H23OO-8-2 = C11H23O-3-2 + C11H23O-8-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-3-2 + C11H23OO-9-2 = C11H23O-3-2 + C11H23O-9-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-3-2 + C11H23OO-10-2 = C11H23O-3-2 + C11H23O-10-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
!
!
!
C11H23OO-4-2 + C11H23OO-4-2 = C11H23O-4-2 + C11H23O-4-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-4-2 + C11H23OO-5-2 = C11H23O-4-2 + C11H23O-5-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-4-2 + C11H23OO-6-2 = C11H23O-4-2 + C11H23O-6-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-4-2 + C11H23OO-7-2 = C11H23O-4-2 + C11H23O-7-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-4-2 + C11H23OO-8-2 = C11H23O-4-2 + C11H23O-8-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-4-2 + C11H23OO-9-2 = C11H23O-4-2 + C11H23O-9-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-4-2 + C11H23OO-10-2 = C11H23O-4-2 + C11H23O-10-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
!
!
C11H23OO-5-2 + C11H23OO-5-2 = C11H23O-5-2 + C11H23O-5-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-5-2 + C11H23OO-6-2 = C11H23O-5-2 + C11H23O-6-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-5-2 + C11H23OO-7-2 = C11H23O-5-2 + C11H23O-7-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-5-2 + C11H23OO-8-2 = C11H23O-5-2 + C11H23O-8-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-5-2 + C11H23OO-9-2 = C11H23O-5-2 + C11H23O-9-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-5-2 + C11H23OO-10-2 = C11H23O-5-2 + C11H23O-10-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
!
!
!
C11H23OO-6-2 + C11H23OO-6-2 = C11H23O-6-2 + C11H23O-6-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-6-2 + C11H23OO-7-2 = C11H23O-6-2 + C11H23O-7-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-6-2 + C11H23OO-8-2 = C11H23O-6-2 + C11H23O-8-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-6-2 + C11H23OO-9-2 = C11H23O-6-2 + C11H23O-9-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-6-2 + C11H23OO-10-2 = C11H23O-6-2 + C11H23O-10-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
!
!
!
C11H23OO-7-2 + C11H23OO-7-2 = C11H23O-7-2 + C11H23O-7-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-7-2 + C11H23OO-8-2 = C11H23O-7-2 + C11H23O-8-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-7-2 + C11H23OO-9-2 = C11H23O-7-2 + C11H23O-9-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-7-2 + C11H23OO-10-2 = C11H23O-7-2 + C11H23O-10-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
!
!
!
C11H23OO-8-2 + C11H23OO-8-2 = C11H23O-8-2 + C11H23O-8-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-8-2 + C11H23OO-9-2 = C11H23O-8-2 + C11H23O-9-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-8-2 + C11H23OO-10-2 = C11H23O-8-2 + C11H23O-10-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
!
!
!
C11H23OO-9-2 + C11H23OO-9-2 = C11H23O-9-2 + C11H23O-9-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C11H23OO-9-2 + C11H23OO-10-2 = C11H23O-9-2 + C11H23O-10-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
!
!
!
C11H23OO-10-2 + C11H23OO-10-2 = C11H23O-10-2 + C11H23O-10-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
! 2-METHYLUNDECANE
!
!
!
!
!
!
! CLASS 20 BIMOLECULAR REACTION BETWEEN ALKYLPEROXY AND HYDROPEROXY
RADICALS
! ROO. + HOO. = ROOH + O2
!
!
!
C12H25OO-1-2 + C12H25OO-1-2 = C12H25O-1-2 + C12H25O-1-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-1-2 + C12H25OO-2-2 = C12H25O-1-2 + C12H25O-2-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-1-2 + C12H25OO-3-2 = C12H25O-1-2 + C12H25O-3-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-1-2 + C12H25OO-4-2 = C12H25O-1-2 + C12H25O-4-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-1-2 + C12H25OO-5-2 = C12H25O-1-2 + C12H25O-5-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-1-2 + C12H25OO-6-2 = C12H25O-1-2 + C12H25O-6-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-1-2 + C12H25OO-7-2 = C12H25O-1-2 + C12H25O-7-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-1-2 + C12H25OO-8-2 = C12H25O-1-2 + C12H25O-8-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-1-2 + C12H25OO-9-2 = C12H25O-1-2 + C12H25O-9-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-1-2 + C12H25OO-10-2 = C12H25O-1-2 + C12H25O-10-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-1-2 + C12H25OO-11-2 = C12H25O-1-2 + C12H25O-11-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
!
!
C12H25OO-2-2 + C12H25OO-2-2 = C12H25O-2-2 + C12H25O-2-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-2-2 + C12H25OO-3-2 = C12H25O-2-2 + C12H25O-3-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-2-2 + C12H25OO-4-2 = C12H25O-2-2 + C12H25O-4-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-2-2 + C12H25OO-5-2 = C12H25O-2-2 + C12H25O-5-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-2-2 + C12H25OO-6-2 = C12H25O-2-2 + C12H25O-6-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-2-2 + C12H25OO-7-2 = C12H25O-2-2 + C12H25O-7-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-2-2 + C12H25OO-8-2 = C12H25O-2-2 + C12H25O-8-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-2-2 + C12H25OO-9-2 = C12H25O-2-2 + C12H25O-9-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-2-2 + C12H25OO-10-2 = C12H25O-2-2 + C12H25O-10-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-2-2 + C12H25OO-11-2 = C12H25O-2-2 + C12H25O-11-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
!
!
C12H25OO-3-2 + C12H25OO-3-2 = C12H25O-3-2 + C12H25O-3-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-3-2 + C12H25OO-4-2 = C12H25O-3-2 + C12H25O-4-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-3-2 + C12H25OO-5-2 = C12H25O-3-2 + C12H25O-5-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-3-2 + C12H25OO-6-2 = C12H25O-3-2 + C12H25O-6-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-3-2 + C12H25OO-7-2 = C12H25O-3-2 + C12H25O-7-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-3-2 + C12H25OO-8-2 = C12H25O-3-2 + C12H25O-8-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-3-2 + C12H25OO-9-2 = C12H25O-3-2 + C12H25O-9-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-3-2 + C12H25OO-10-2 = C12H25O-3-2 + C12H25O-10-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-3-2 + C12H25OO-11-2 = C12H25O-3-2 + C12H25O-11-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
!
!
!
!
C12H25OO-4-2 + C12H25OO-4-2 = C12H25O-4-2 + C12H25O-4-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-4-2 + C12H25OO-5-2 = C12H25O-4-2 + C12H25O-5-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-4-2 + C12H25OO-6-2 = C12H25O-4-2 + C12H25O-6-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-4-2 + C12H25OO-7-2 = C12H25O-4-2 + C12H25O-7-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-4-2 + C12H25OO-8-2 = C12H25O-4-2 + C12H25O-8-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-4-2 + C12H25OO-9-2 = C12H25O-4-2 + C12H25O-9-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-4-2 + C12H25OO-10-2 = C12H25O-4-2 + C12H25O-10-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-4-2 + C12H25OO-11-2 = C12H25O-4-2 + C12H25O-11-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
!
!
!
C12H25OO-5-2 + C12H25OO-5-2 = C12H25O-5-2 + C12H25O-5-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-5-2 + C12H25OO-6-2 = C12H25O-5-2 + C12H25O-6-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-5-2 + C12H25OO-7-2 = C12H25O-5-2 + C12H25O-7-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-5-2 + C12H25OO-8-2 = C12H25O-5-2 + C12H25O-8-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-5-2 + C12H25OO-9-2 = C12H25O-5-2 + C12H25O-9-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-5-2 + C12H25OO-10-2 = C12H25O-5-2 + C12H25O-10-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-5-2 + C12H25OO-11-2 = C12H25O-5-2 + C12H25O-11-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
!
C12H25OO-6-2 + C12H25OO-6-2 = C12H25O-6-2 + C12H25O-6-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-6-2 + C12H25OO-7-2 = C12H25O-6-2 + C12H25O-7-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-6-2 + C12H25OO-8-2 = C12H25O-6-2 + C12H25O-8-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-6-2 + C12H25OO-9-2 = C12H25O-6-2 + C12H25O-9-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-6-2 + C12H25OO-10-2 = C12H25O-6-2 + C12H25O-10-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-6-2 + C12H25OO-11-2 = C12H25O-6-2 + C12H25O-11-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
!
!
C12H25OO-7-2 + C12H25OO-7-2 = C12H25O-7-2 + C12H25O-7-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-7-2 + C12H25OO-8-2 = C12H25O-7-2 + C12H25O-8-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-7-2 + C12H25OO-9-2 = C12H25O-7-2 + C12H25O-9-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-7-2 + C12H25OO-10-2 = C12H25O-7-2 + C12H25O-10-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-7-2 + C12H25OO-11-2 = C12H25O-7-2 + C12H25O-11-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
!
!
C12H25OO-8-2 + C12H25OO-8-2 = C12H25O-8-2 + C12H25O-8-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-8-2 + C12H25OO-9-2 = C12H25O-8-2 + C12H25O-9-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-8-2 + C12H25OO-10-2 = C12H25O-8-2 + C12H25O-10-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-8-2 + C12H25OO-11-2 = C12H25O-8-2 + C12H25O-11-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
!
!
!
C12H25OO-9-2 + C12H25OO-9-2 = C12H25O-9-2 + C12H25O-9-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-9-2 + C12H25OO-10-2 = C12H25O-9-2 + C12H25O-10-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-9-2 + C12H25OO-11-2 = C12H25O-9-2 + C12H25O-11-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
C12H25OO-10-2 + C12H25OO-10-2 = C12H25O-10-2 + C12H25O-10-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
C12H25OO-10-2 + C12H25OO-11-2 = C12H25O-10-2 + C12H25O-11-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
!
C12H25OO-11-2 + C12H25OO-11-2 = C12H25O-11-2 + C12H25O-11-2
+ O2 1.40E+16 -1.61 1.86E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
!
!
!
! 2-METHYLHEXANE
!
!
!
!
!
!
!
!
!
! CLASS 21
!
! ROOH = RO + OH
!!
C7H15OOH-1-2 = C7H15O-1-2 + OH 1.000E+16 0.00 3.900E+04
!
!
! 2-METHYLHEPTANE
!
!
!
!
!
! ! CLASS 21
!
! ROOH = RO + OH
!
!
C8H17OOH-1-2 = C8H17O-1-2 + OH 1.000E+16 0.00 3.900E+04
!
!
! 2-METHYLOCTANE
!
!
!
!
! ! CLASS 21
!
! ROOH = RO + OH
!
!
C9H19OOH-1-2 = C9H19O-1-2 + OH 1.000E+16 0.00 3.900E+04
!
!
! 2-METHYLNONANE
!
!
!
!
!
! ! CLASS 21
!
! ROOH = RO + OH
!
!
C10H21OOH-1-2 = C10H21O-1-2 + OH 1.000E+16 0.00 3.900E+04
!
!
! 2-METHYLDECANE
!
!
!
!
!
! ! CLASS 21
!
! ROOH = RO + OH
!
!
C11H23OOH-1-2 = C11H23O-1-2 + OH 1.000E+16 0.00 3.900E+04
!
!
!
! 2-METHYLUNDECANE
!
!
!
!
!
!
! ! CLASS 21
!
! ROOH = RO + OH
!
!
C12H25OOH-1-2 = C12H25O-1-2 + OH 1.000E+16 0.00 3.900E+04
!
!
!
!
!
!
!
!
!
! 2-METHYLHEXANE
!
!
!
!
!
!
!
!
!
! CLASS 22 DECOMPOSITION OF AKYLPEROXY RADICAL (RO.)
!
!
CH2O + C6H13-2 = C7H15O-1-2 1.00E+11 0 11900
REV / 0 0.00 0.00 /
CH3COCH3 + PC4H9 = C7H15O-2-2 1.00E+11 0 11900
REV / 0 0.00 0.00 /
IC3H7CHO + NC3H7 = C7H15O-3-2 1.00E+11 0 11900
REV / 0 0.00 0.00 /
C2H5CHO + IC4H9 = C7H15O-4-2 1.00E+11 0 11900
REV / 0 0.00 0.00 /
CH3CHO + DC5H11 = C7H15O-5-2 1.00E+11 0 11900
REV / 0 0.00 0.00 /
CH2O + EC6H13 = C7H15O-6-2 1.00E+11 0 11900
REV / 0 0.00 0.00 /
!
!
! 2-METHYLHEPTANE
!
!
!
!
!
!
!
! CLASS 22 DECOMPOSITION OF AKYLPEROXY RADICAL (RO.)
!
!
CH2O + C7H15-2 = C8H17O-1-2 1.00E+11 0.00 11900
REV / 0.00 0.00 0.00 /
CH3COCH3 + C5H11-1 = C8H17O-2-2 1.00E+11 0 11900
REV / 0.00 0.00 0.00 /
IC3H7CHO + PC4H9 = C8H17O-3-2 1.00E+11 0 11900
REV / 0.00 0.00 0.00 /
NC3H7CHO + IC4H9 = C8H17O-4-2 1.00E+11 0 11900
REV / 0.00 0.00 0.00 /
C2H5CHO + DC5H11 = C8H17O-5-2 1.00E+11 0 11900
REV / 0.00 0.00 0.00 /
CH3CHO + EC6H13 = C8H17O-6-2 1.00E+11 0 11900
REV / 0.00 0.00 0.00 /
CH2O + C7H15-2F = C8H17O-7-2 1.00E+11 0 11900
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
! 2-METHYLOCTANE
!
!
!
!
! CLASS 22 DECOMPOSITION OF AKYLPEROXY RADICAL (RO.)
!
!
CH2O + C8H17-2 = C9H19O-1-2 1.00E+11 0 11900
!
!
CH2O + C9H19-2 = C10H21O-1-2 1.00E+11 0 11900
!
!
!
! 2-METHYLDECANE
!
!
!
!
! CLASS 22 DECOMPOSITION OF AKYLPEROXY RADICAL (RO.)
!
!
CH2O + C10H21-2 = C11H23O-1-2 1.00E+11 0 11900
!
!
!
!
! 2-METHYLUNDECANE
!
!
!
!
!
! CLASS 22 DECOMPOSITION OF AKYLPEROXY RADICAL (RO.)
!
!
CH2O + C11H23-2 = C12H25O-1-2 1.00E+11 0 11900
!
!
!
!
!
!
!
!
!
! 2-METHYLHEXANE
!
!
!
!
!
!
!
!
!
!
! CLASS 23 DECOMPOSITION OF .QOOH TO FORM CYCLIC ETHER (QO) AND OH
! .QOOH = QO + OH
! THE REACTIONS ARE ORDERED BY SIZE OF THE CYCLIC ETHER RING BECAUSE THE
REACTION RATES ARE DETERMINED BASED ON THE RING SIZE
!
! 3 MEMBER RINGS
C7OOH1-2B = C7H14O1-2-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C7OOH2-2A = C7H14O1-2-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C7OOH2-2C = C7H14O2-3-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C7OOH3-2B = C7H14O2-3-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C7OOH3-2D = C7H14O3-4-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C7OOH4-2C = C7H14O3-4-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C7OOH4-2E = C7H14O4-5-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C7OOH5-2D = C7H14O4-5-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C7OOH5-2F = C7H14O5-6-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C7OOH6-2E = C7H14O5-6-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
!
! 4 MEMBER RINGS
C7OOH1-2A = C7H14O1-1-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C7OOH1-2C = C7H14O1-3-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C7OOH2-2D = C7H14O2-4-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C7OOH3-2A = C7H14O1-3-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C7OOH3-2E = C7H14O3-5-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C7OOH4-2B = C7H14O2-4-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C7OOH4-2F = C7H14O4-6-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C7OOH5-2C = C7H14O3-5-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C7OOH6-2D = C7H14O4-6-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
!
! 5 MEMBER RINGS
C7OOH1-2D = C7H14O1-4-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C7OOH2-2E = C7H14O2-5-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C7OOH3-2F = C7H14O3-6-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C7OOH4-2A = C7H14O1-4-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C7OOH5-2B = C7H14O2-5-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C7OOH6-2C = C7H14O3-6-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
!
! 6 MEMBER RINGS
C7OOH1-2E = C7H14O1-5-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C7OOH2-2F = C7H14O2-6-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C7OOH5-2A = C7H14O1-5-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C7OOH6-2B = C7H14O2-6-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
! 2-METHYLHEPTANE
!
!
!
!
! CLASS 23 DECOMPOSITION OF .QOOH TO FORM CYCLIC ETHER (QO) AND OH
! .QOOH = QO + OH
! THE REACTIONS ARE ORDERED BY SIZE OF THE CYCLIC ETHER RING BECAUSE THE
REACTION RATES ARE DETERMINED BASED ON THE RING SIZE
!
! 3 MEMBER RINGS
C8OOH1-2B = C8H16O1-2-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C8OOH2-2A = C8H16O1-2-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C8OOH2-2C = C8H16O2-3-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C8OOH3-2B = C8H16O2-3-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C8OOH3-2D = C8H16O3-4-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C8OOH4-2C = C8H16O3-4-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C8OOH4-2E = C8H16O4-5-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C8OOH5-2D = C8H16O4-5-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C8OOH5-2F = C8H16O5-6-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C8OOH6-2E = C8H16O5-6-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C8OOH6-2G = C8H16O6-7-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C8OOH7-2F = C8H16O6-7-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
!
! 4 MEMBER RINGS
C8OOH1-2A = C8H16O1-1-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C8OOH1-2C = C8H16O1-3-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C8OOH2-2D = C8H16O2-4-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C8OOH3-2A = C8H16O1-3-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C8OOH3-2E = C8H16O3-5-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C8OOH4-2B = C8H16O2-4-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C8OOH4-2F = C8H16O4-6-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C8OOH5-2C = C8H16O3-5-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C8OOH5-2G = C8H16O5-7-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C8OOH6-2D = C8H16O4-6-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C8OOH7-2E = C8H16O5-7-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
!
! 5 MEMBER RINGS
C8OOH1-2D = C8H16O1-4-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C8OOH2-2E = C8H16O2-5-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C8OOH3-2F = C8H16O3-6-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C8OOH4-2G = C8H16O4-7-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C8OOH4-2A = C8H16O1-4-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C8OOH5-2B = C8H16O2-5-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C8OOH6-2C = C8H16O3-6-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C8OOH7-2D = C8H16O4-7-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
!
! 6 MEMBER RINGS
C8OOH1-2E = C8H16O1-5-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C8OOH2-2F = C8H16O2-6-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C8OOH3-2G = C8H16O3-7-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C8OOH5-2A = C8H16O1-5-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C8OOH6-2B = C8H16O2-6-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C8OOH7-2C = C8H16O3-7-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
!
!
!
!
!
!
! 2-METHYLOCTANE
!
!
!
!
!
!
!
!
! CLASS 23 DECOMPOSITION OF .QOOH TO FORM CYCLIC ETHER (QO) AND OH
! .QOOH = QO + OH
! THE REACTIONS ARE ORDERED BY SIZE OF THE CYCLIC ETHER RING BECAUSE THE
REACTION RATES ARE DETERMINED BASED ON THE RING SIZE
!
! 3 MEMBER RINGS
C9OOH1-2B = C9H18O1-2-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C9OOH2-2A = C9H18O1-2-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C9OOH2-2C = C9H18O2-3-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C9OOH3-2B = C9H18O2-3-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C9OOH3-2D = C9H18O3-4-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C9OOH4-2C = C9H18O3-4-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C9OOH4-2E = C9H18O4-5-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C9OOH5-2D = C9H18O4-5-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C9OOH5-2F = C9H18O5-6-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C9OOH6-2E = C9H18O5-6-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C9OOH6-2G = C9H18O6-7-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C9OOH7-2F = C9H18O6-7-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C9OOH7-2H = C9H18O7-8-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C9OOH8-2G = C9H18O7-8-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
!
! 4 MEMBER RINGS
C9OOH1-2A = C9H18O1-1-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C9OOH1-2C = C9H18O1-3-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C9OOH2-2D = C9H18O2-4-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C9OOH3-2A = C9H18O1-3-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C9OOH3-2E = C9H18O3-5-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C9OOH4-2B = C9H18O2-4-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C9OOH4-2F = C9H18O4-6-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C9OOH5-2C = C9H18O3-5-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C9OOH5-2G = C9H18O5-7-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C9OOH6-2D = C9H18O4-6-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C9OOH6-2H = C9H18O6-8-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C9OOH7-2E = C9H18O5-7-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C9OOH8-2F = C9H18O6-8-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
!
! 5 MEMBER RINGS
C9OOH1-2D = C9H18O1-4-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C9OOH2-2E = C9H18O2-5-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C9OOH3-2F = C9H18O3-6-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C9OOH4-2G = C9H18O4-7-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C9OOH5-2H = C9H18O5-8-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C9OOH4-2A = C9H18O1-4-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C9OOH5-2B = C9H18O2-5-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C9OOH6-2C = C9H18O3-6-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C9OOH7-2D = C9H18O4-7-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C9OOH8-2E = C9H18O5-8-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
!
! 6 MEMBER RINGS
C9OOH1-2E = C9H18O1-5-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C9OOH2-2F = C9H18O2-6-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C9OOH3-2G = C9H18O3-7-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C9OOH4-2H = C9H18O4-8-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C9OOH5-2A = C9H18O1-5-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C9OOH6-2B = C9H18O2-6-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C9OOH7-2C = C9H18O3-7-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C9OOH8-2D = C9H18O4-8-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
!
!
! 2-METHYLNONANE
!
!
!
!
!
!
!
!
!
!
! CLASS 23 DECOMPOSITION OF .QOOH TO FORM CYCLIC ETHER (QO) AND OH
! .QOOH = QO + OH
! THE REACTIONS ARE ORDERED BY SIZE OF THE CYCLIC ETHER RING BECAUSE THE
REACTION RATES ARE DETERMINED BASED ON THE RING SIZE
!
! 3 MEMBER RINGS
C10OOH1-2B = C10H20O1-2-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C10OOH2-2A = C10H20O1-2-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C10OOH2-2C = C10H20O2-3-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C10OOH3-2B = C10H20O2-3-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C10OOH3-2D = C10H20O3-4-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C10OOH4-2C = C10H20O3-4-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C10OOH4-2E = C10H20O4-5-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C10OOH5-2D = C10H20O4-5-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C10OOH5-2F = C10H20O5-6-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C10OOH6-2E = C10H20O5-6-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C10OOH6-2G = C10H20O6-7-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C10OOH7-2F = C10H20O6-7-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C10OOH7-2H = C10H20O7-8-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C10OOH8-2G = C10H20O7-8-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C10OOH8-2I = C10H20O8-9-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C10OOH9-2H = C10H20O8-9-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
!
! 4 MEMBER RINGS
C10OOH1-2A = C10H20O1-1-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C10OOH1-2C = C10H20O1-3-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C10OOH2-2D = C10H20O2-4-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C10OOH3-2A = C10H20O1-3-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C10OOH3-2E = C10H20O3-5-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C10OOH4-2B = C10H20O2-4-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C10OOH4-2F = C10H20O4-6-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C10OOH5-2C = C10H20O3-5-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C10OOH5-2G = C10H20O5-7-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C10OOH6-2D = C10H20O4-6-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C10OOH6-2H = C10H20O6-8-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C10OOH7-2E = C10H20O5-7-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C10OOH7-2I = C10H20O7-9-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C10OOH8-2F = C10H20O6-8-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C10OOH9-2G = C10H20O7-9-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
!
! 5 MEMBER RINGS
C10OOH1-2D = C10H20O1-4-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C10OOH2-2E = C10H20O2-5-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C10OOH3-2F = C10H20O3-6-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C10OOH4-2G = C10H20O4-7-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C10OOH5-2H = C10H20O5-8-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C10OOH6-2I = C10H20O6-9-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C10OOH4-2A = C10H20O1-4-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C10OOH5-2B = C10H20O2-5-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C10OOH6-2C = C10H20O3-6-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C10OOH7-2D = C10H20O4-7-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C10OOH8-2E = C10H20O5-8-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C10OOH9-2F = C10H20O6-9-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
!
! 6 MEMBER RINGS
C10OOH1-2E = C10H20O1-5-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C10OOH2-2F = C10H20O2-6-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C10OOH3-2G = C10H20O3-7-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C10OOH4-2H = C10H20O4-8-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C10OOH5-2I = C10H20O5-9-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C10OOH5-2A = C10H20O1-5-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C10OOH6-2B = C10H20O2-6-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C10OOH7-2C = C10H20O3-7-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C10OOH8-2D = C10H20O4-8-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C10OOH9-2E = C10H20O5-9-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
! 2-METHYLDECANE
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
! CLASS 23 DECOMPOSITION OF .QOOH TO FORM CYCLIC ETHER (QO) AND OH
! .QOOH = QO + OH
! THE REACTIONS ARE ORDERED BY SIZE OF THE CYCLIC ETHER RING BECAUSE THE
REACTION RATES ARE DETERMINED BASED ON THE RING SIZE
!
! 3 MEMBER RINGS
C11OOH1-2B = C11H22O1-2-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C11OOH2-2A = C11H22O1-2-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C11OOH2-2C = C11H22O2-3-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C11OOH3-2B = C11H22O2-3-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C11OOH3-2D = C11H22O3-4-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C11OOH4-2C = C11H22O3-4-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C11OOH4-2E = C11H22O4-5-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C11OOH5-2D = C11H22O4-5-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C11OOH5-2F = C11H22O5-6-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C11OOH6-2E = C11H22O5-6-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C11OOH6-2G = C11H22O6-7-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C11OOH7-2F = C11H22O6-7-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C11OOH7-2H = C11H22O7-8-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C11OOH8-2G = C11H22O7-8-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C11OOH8-2I = C11H22O8-9-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C11OOH9-2H = C11H22O8-9-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C11OOH9-2J = C11H22O9-10-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C11OOH10-2I = C11H22O9-10-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
!
! 4 MEMBER RINGS
C11OOH1-2A = C11H22O1-1-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C11OOH1-2C = C11H22O1-3-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C11OOH2-2D = C11H22O2-4-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C11OOH3-2A = C11H22O1-3-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C11OOH3-2E = C11H22O3-5-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C11OOH4-2B = C11H22O2-4-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C11OOH4-2F = C11H22O4-6-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C11OOH5-2C = C11H22O3-5-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C11OOH5-2G = C11H22O5-7-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C11OOH6-2D = C11H22O4-6-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C11OOH6-2H = C11H22O6-8-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C11OOH7-2E = C11H22O5-7-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C11OOH7-2I = C11H22O7-9-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C11OOH8-2F = C11H22O6-8-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C11OOH8-2J = C11H22O8-10-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C11OOH9-2G = C11H22O7-9-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C11OOH10-2H = C11H22O8-10-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
!
! 5 MEMBER RINGS
C11OOH1-2D = C11H22O1-4-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C11OOH2-2E = C11H22O2-5-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C11OOH3-2F = C11H22O3-6-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C11OOH4-2G = C11H22O4-7-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C11OOH5-2H = C11H22O5-8-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C11OOH6-2I = C11H22O6-9-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C11OOH7-2J = C11H22O7-10-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C11OOH4-2A = C11H22O1-4-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C11OOH5-2B = C11H22O2-5-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C11OOH6-2C = C11H22O3-6-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C11OOH7-2D = C11H22O4-7-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C11OOH8-2E = C11H22O5-8-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C11OOH9-2F = C11H22O6-9-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C11OOH10-2G = C11H22O7-10-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
!
! 6 MEMBER RINGS
C11OOH1-2E = C11H22O1-5-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C11OOH2-2F = C11H22O2-6-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C11OOH3-2G = C11H22O3-7-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C11OOH4-2H = C11H22O4-8-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C11OOH5-2I = C11H22O5-9-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C11OOH6-2G = C11H22O6-10-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C11OOH5-2A = C11H22O1-5-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C11OOH6-2B = C11H22O2-6-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C11OOH7-2C = C11H22O3-7-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C11OOH8-2D = C11H22O4-8-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C11OOH9-2E = C11H22O5-9-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C11OOH10-2F = C11H22O6-10-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
! 2-METHYLUNDECANE
!
!
!
!
!
!
!
! CLASS 23 DECOMPOSITION OF .QOOH TO FORM CYCLIC ETHER (QO) AND OH
! .QOOH = QO + OH
! THE REACTIONS ARE ORDERED BY SIZE OF THE CYCLIC ETHER RING BECAUSE THE
REACTION RATES ARE DETERMINED BASED ON THE RING SIZE
!
! 3 MEMBER RINGS
C12OOH1-2B = C12H24O1-2-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C12OOH2-2A = C12H24O1-2-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C12OOH2-2C = C12H24O2-3-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C12OOH3-2B = C12H24O2-3-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C12OOH3-2D = C12H24O3-4-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C12OOH4-2C = C12H24O3-4-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C12OOH4-2E = C12H24O4-5-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C12OOH5-2D = C12H24O4-5-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C12OOH5-2F = C12H24O5-6-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C12OOH6-2E = C12H24O5-6-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C12OOH6-2G = C12H24O6-7-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C12OOH7-2F = C12H24O6-7-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C12OOH7-2H = C12H24O7-8-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C12OOH8-2G = C12H24O7-8-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C12OOH8-2I = C12H24O8-9-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C12OOH9-2H = C12H24O8-9-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C12OOH9-2J = C12H24O9-10-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C12OOH10-2I = C12H24O9-10-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C12OOH10-2K = C12H24O10-11-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
C12OOH11-2J = C12H24O10-11-2 + OH 6.00E+11 0.00
2.20E+04
REV / 0.00 0.00 0.00 /
!
! 4 MEMBER RINGS
C12OOH1-2A = C12H24O1-1-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C12OOH1-2C = C12H24O1-3-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C12OOH2-2D = C12H24O2-4-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C12OOH3-2A = C12H24O1-3-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C12OOH3-2E = C12H24O3-5-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C12OOH4-2B = C12H24O2-4-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C12OOH4-2F = C12H24O4-6-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C12OOH5-2C = C12H24O3-5-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C12OOH5-2G = C12H24O5-7-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C12OOH6-2D = C12H24O4-6-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C12OOH6-2H = C12H24O6-8-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C12OOH7-2E = C12H24O5-7-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C12OOH7-2I = C12H24O7-9-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C12OOH8-2F = C12H24O6-8-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C12OOH8-2J = C12H24O8-10-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C12OOH9-2G = C12H24O7-9-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C12OOH9-2K = C12H24O9-11-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C12OOH10-2H = C12H24O8-10-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
C12OOH11-2I = C12H24O9-11-2 + OH 7.50E+10 0.00
1.53E+04
REV / 0.00 0.00 0.00 /
!
! 5 MEMBER RINGS
C12OOH1-2D = C12H24O1-4-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C12OOH2-2E = C12H24O2-5-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C12OOH3-2F = C12H24O3-6-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C12OOH4-2G = C12H24O4-7-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C12OOH5-2H = C12H24O5-8-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C12OOH6-2I = C12H24O6-9-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C12OOH7-2J = C12H24O7-10-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C12OOH8-2K = C12H24O8-11-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C12OOH4-2A = C12H24O1-4-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C12OOH5-2B = C12H24O2-5-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C12OOH6-2C = C12H24O3-6-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C12OOH7-2D = C12H24O4-7-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C12OOH8-2E = C12H24O5-8-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C12OOH9-2F = C12H24O6-9-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C12OOH10-2G = C12H24O7-10-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
C12OOH11-2H = C12H24O8-11-2 + OH 9.38E+09 0.00
7.00E+03
REV / 0.00 0.00 0.00 /
!
! 6 MEMBER RINGS
C12OOH1-2E = C12H24O1-5-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C12OOH2-2F = C12H24O2-6-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C12OOH3-2G = C12H24O3-7-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C12OOH4-2H = C12H24O4-8-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C12OOH5-2I = C12H24O5-9-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C12OOH6-2J = C12H24O6-10-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C12OOH7-2K = C12H24O7-11-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C12OOH5-2A = C12H24O1-5-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C12OOH6-2B = C12H24O2-6-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C12OOH7-2C = C12H24O3-7-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C12OOH8-2D = C12H24O4-8-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C12OOH9-2E = C12H24O5-9-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C12OOH10-2F = C12H24O6-10-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
C12OOH11-2G = C12H24O7-11-2 + OH 1.17E+09 0.00
1.80E+03
REV / 0.00 0.00 0.00 /
!
!
!
!
!
!
!
!
!
!
! 2-METHYLHEXANE
!
!
!
!
!
!
! CLASS 24 .QOOH SPECIES WITH A RADICAL SITE BETA TO THE HYDROPEROXY GROUP
DECOMPOSE TO AN ALKENE AND HO2
! .QOOH = ALKENE + HO2
!
!
!
!
C7H14-1-2 + HO2 = C7OOH1-2B 1.00E+11 0 1.19E+04
!
C7H14-1-2 + HO2 = C7OOH2-2A 1.00E+11 0 1.19E+04
!
C7H14-2-2 + HO2 = C7OOH2-2C 1.00E+11 0 1.19E+04
!
C7H14-2-2 + HO2 = C7OOH3-2B 1.00E+11 0 1.19E+04
!
C7H14-3-2 + HO2 = C7OOH3-2D 1.00E+11 0 1.19E+04
!
C7H14-3-2 + HO2 = C7OOH4-2C 1.00E+11 0 1.19E+04
!
C7H14-4-2 + HO2 = C7OOH4-2E 1.00E+11 0 1.19E+04
!
C7H14-4-2 + HO2 = C7OOH5-2D 1.00E+11 0 1.19E+04
!
C7H14-5-2 + HO2 = C7OOH5-2F 1.00E+11 0 1.19E+04
!
C7H14-5-2 + HO2 = C7OOH6-2E 1.00E+11 0 1.19E+04
!
!
!
!
!
!
!
!
!
! 2-METHYLHEPTANE
!
!
!
!
!
!
!
!
!
!
!
!
! CLASS 24 .QOOH SPECIES WITH A RADICAL SITE BETA TO THE HYDROPEROXY GROUP
DECOMPOSE TO AN ALKENE AND HO2
! .QOOH = ALKENE + HO2
!
!
C8H16-1-2 + HO2 = C8OOH1-2B 1.00E+11 0 1.19E+04
!
C8H16-1-2 + HO2 = C8OOH2-2A 1.00E+11 0 1.19E+04
!
C8H16-2-2 + HO2 = C8OOH2-2C 1.00E+11 0 1.19E+04
!
C8H16-2-2 + HO2 = C8OOH3-2B 1.00E+11 0 1.19E+04
!
C8H16-3-2 + HO2 = C8OOH3-2D 1.00E+11 0 1.19E+04
!
C8H16-3-2 + HO2 = C8OOH4-2C 1.00E+11 0 1.19E+04
!
C8H16-4-2 + HO2 = C8OOH4-2E 1.00E+11 0 1.19E+04
!
C8H16-4-2 + HO2 = C8OOH5-2D 1.00E+11 0 1.19E+04
!
C8H16-5-2 + HO2 = C8OOH5-2F 1.00E+11 0 1.19E+04
!
C8H16-5-2 + HO2 = C8OOH6-2E 1.00E+11 0 1.19E+04
!
C8H16-6-2 + HO2 = C8OOH6-2G 1.00E+11 0 1.19E+04
!
C8H16-6-2 + HO2 = C8OOH7-2F 1.00E+11 0 1.19E+04
!
!
!
!
!
!
!
!
!
!
!
!
!
! 2-METHYLOCTANE
!
!
!
!
!
!
!
!
!
! CLASS 24 .QOOH SPECIES WITH A RADICAL SITE BETA TO THE HYDROPEROXY GROUP
DECOMPOSE TO AN ALKENE AND HO2
! .QOOH = ALKENE + HO2
!
!
!
!
!
C9H18-1-2 + HO2 = C9OOH1-2B 1.00E+11 0 1.19E+04
!
C9H18-1-2 + HO2 = C9OOH2-2A 1.00E+11 0 1.19E+04
!
C9H18-2-2 + HO2 = C9OOH2-2C 1.00E+11 0 1.19E+04
!
C9H18-2-2 + HO2 = C9OOH3-2B 1.00E+11 0 1.19E+04
!
C9H18-3-2 + HO2 = C9OOH3-2D 1.00E+11 0 1.19E+04
!
C9H18-3-2 + HO2 = C9OOH4-2C 1.00E+11 0 1.19E+04
!
C9H18-4-2 + HO2 = C9OOH4-2E 1.00E+11 0 1.19E+04
!
C9H18-4-2 + HO2 = C9OOH5-2D 1.00E+11 0 1.19E+04
!
C9H18-5-2 + HO2 = C9OOH5-2F 1.00E+11 0 1.19E+04
!
C9H18-5-2 + HO2 = C9OOH6-2E 1.00E+11 0 1.19E+04
!
C9H18-6-2 + HO2 = C9OOH6-2G 1.00E+11 0 1.19E+04
!
C9H18-6-2 + HO2 = C9OOH7-2F 1.00E+11 0 1.19E+04
!
C9H18-7-2 + HO2 = C9OOH7-2H 1.00E+11 0 1.19E+04
!
C9H18-7-2 + HO2 = C9OOH8-2G 1.00E+11 0 1.19E+04
!
!
!
!
!
!
!
!
!
!
!
! 2-METHYLNONANE
!
!
!
!
!
!
!
!
!
!
! CLASS 24 .QOOH SPECIES WITH A RADICAL SITE BETA TO THE HYDROPEROXY GROUP
DECOMPOSE TO AN ALKENE AND HO2
! .QOOH = ALKENE + HO2
!
!
C10H20-1-2 + HO2 = C10OOH1-2B 1.00E+11 0 1.19E+04
!
C10H20-1-2 + HO2 = C10OOH2-2A 1.00E+11 0 1.19E+04
!
C10H20-2-2 + HO2 = C10OOH2-2C 1.00E+11 0 1.19E+04
!
C10H20-2-2 + HO2 = C10OOH3-2B 1.00E+11 0 1.19E+04
!
C10H20-3-2 + HO2 = C10OOH3-2D 1.00E+11 0 1.19E+04
!
C10H20-3-2 + HO2 = C10OOH4-2C 1.00E+11 0 1.19E+04
!
C10H20-4-2 + HO2 = C10OOH4-2E 1.00E+11 0 1.19E+04
!
C10H20-4-2 + HO2 = C10OOH5-2D 1.00E+11 0 1.19E+04
!
C10H20-5-2 + HO2 = C10OOH5-2F 1.00E+11 0 1.19E+04
!
C10H20-5-2 + HO2 = C10OOH6-2E 1.00E+11 0 1.19E+04
!
C10H20-6-2 + HO2 = C10OOH6-2G 1.00E+11 0 1.19E+04
!
C10H20-6-2 + HO2 = C10OOH7-2F 1.00E+11 0 1.19E+04
!
C10H20-7-2 + HO2 = C10OOH7-2H 1.00E+11 0 1.19E+04
!
C10H20-7-2 + HO2 = C10OOH8-2G 1.00E+11 0 1.19E+04
!
C10H20-8-2 + HO2 = C10OOH8-2I 1.00E+11 0 1.19E+04
!
C10H20-8-2 + HO2 = C10OOH9-2H 1.00E+11 0 1.19E+04
!
!
!
!
!
!
!
!
!
! 2-METHYLDECANE
!
!
!
!
!
!
!
!
!
!
!
! CLASS 24 .QOOH SPECIES WITH A RADICAL SITE BETA TO THE HYDROPEROXY GROUP
DECOMPOSE TO AN ALKENE AND HO2
! .QOOH = ALKENE + HO2
!
!
C11H22-1-2 + HO2 = C11OOH1-2B 1.00E+11 0 1.19E+04
!
C11H22-1-2 + HO2 = C11OOH2-2A 1.00E+11 0 1.19E+04
!
C11H22-2-2 + HO2 = C11OOH2-2C 1.00E+11 0 1.19E+04
!
C11H22-2-2 + HO2 = C11OOH3-2B 1.00E+11 0 1.19E+04
!
C11H22-3-2 + HO2 = C11OOH3-2D 1.00E+11 0 1.19E+04
!
C11H22-3-2 + HO2 = C11OOH4-2C 1.00E+11 0 1.19E+04
!
C11H22-4-2 + HO2 = C11OOH4-2E 1.00E+11 0 1.19E+04
!
C11H22-4-2 + HO2 = C11OOH5-2D 1.00E+11 0 1.19E+04
!
C11H22-5-2 + HO2 = C11OOH5-2F 1.00E+11 0 1.19E+04
!
C11H22-5-2 + HO2 = C11OOH6-2E 1.00E+11 0 1.19E+04
!
C11H22-6-2 + HO2 = C11OOH6-2G 1.00E+11 0 1.19E+04
!
C11H22-6-2 + HO2 = C11OOH7-2F 1.00E+11 0 1.19E+04
!
C11H22-7-2 + HO2 = C11OOH7-2H 1.00E+11 0 1.19E+04
!
C11H22-7-2 + HO2 = C11OOH8-2G 1.00E+11 0 1.19E+04
!
C11H22-8-2 + HO2 = C11OOH8-2I 1.00E+11 0 1.19E+04
!
C11H22-8-2 + HO2 = C11OOH9-2H 1.00E+11 0 1.19E+04
!
C11H22-9-2 + HO2 = C11OOH9-2J 1.00E+11 0 1.19E+04
!
C11H22-9-2 + HO2 = C11OOH10-2I 1.00E+11 0 1.19E+04
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
! 2-METHYLUNDECANE
!
!
!
!
!
!
!
!
!
!
!
!
! CLASS 24 .QOOH SPECIES WITH A RADICAL SITE BETA TO THE HYDROPEROXY GROUP
DECOMPOSE TO AN ALKENE AND HO2
! .QOOH = ALKENE + HO2
!
!
C12H24-1-2 + HO2 = C12OOH1-2B 1.00E+11 0 1.19E+04
!
!
C12H24-1-2 + HO2 = C12OOH2-2A 1.00E+11 0 1.19E+04
!
C12H24-2-2 + HO2 = C12OOH2-2C 1.00E+11 0 1.19E+04
!
C12H24-2-2 + HO2 = C12OOH3-2B 1.00E+11 0 1.19E+04
!
C12H24-3-2 + HO2 = C12OOH3-2D 1.00E+11 0 1.19E+04
!
C12H24-3-2 + HO2 = C12OOH4-2C 1.00E+11 0 1.19E+04
!
C12H24-4-2 + HO2 = C12OOH4-2E 1.00E+11 0 1.19E+04
!
C12H24-4-2 + HO2 = C12OOH5-2D 1.00E+11 0 1.19E+04
!
C12H24-5-2 + HO2 = C12OOH5-2F 1.00E+11 0 1.19E+04
!
C12H24-5-2 + HO2 = C12OOH6-2E 1.00E+11 0 1.19E+04
!
C12H24-6-2 + HO2 = C12OOH6-2G 1.00E+11 0 1.19E+04
!
C12H24-6-2 + HO2 = C12OOH7-2F 1.00E+11 0 1.19E+04
!
C12H24-7-2 + HO2 = C12OOH7-2H 1.00E+11 0 1.19E+04
!
C12H24-7-2 + HO2 = C12OOH8-2G 1.00E+11 0 1.19E+04
!
C12H24-8-2 + HO2 = C12OOH8-2I 1.00E+11 0 1.19E+04
!
C12H24-8-2 + HO2 = C12OOH9-2H 1.00E+11 0 1.19E+04
!
C12H24-9-2 + HO2 = C12OOH9-2J 1.00E+11 0 1.19E+04
!
C12H24-9-2 + HO2 = C12OOH10-2I 1.00E+11 0 1.19E+04
!
C12H24-10-2 + HO2 = C12OOH10-2K 1.00E+11 0 1.19E+04
!
C12H24-10-2 + HO2 = C12OOH11-2J 1.00E+11 0 1.19E+04
!
!
!
!
!
! 2-METHYLHEXANE
!
!
!
!
!
!
! CLASS 25 .QOOH SPECIES PRODUCED BY AN RO2 ISOMERIZATION WITH AN
INTERMEDIATE RING OF SIX ATOMS DECOMPOSE VIA BETA SCISSION
!
!
C8OOH1-2A = C7H14-1 + CH2O + OH 1.00E+13 0.00
3.0E+04
REV / 0.00 0.00 0.00 /
C8OOH1-2C = C7H14-2 + CH2O + OH 1.00E+13 0.00
3.0E+04
REV / 0.00 0.00 0.00 /
C8OOH2-2D = C5H10-1 + CH3COCH3 + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C8OOH3-2E = C4H8-1 + IC3H7CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C8OOH3-2A = C3H6 + NC4H9CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C8OOH4-2B = IC4H8 + NC3H7CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C8OOH4-2F = C3H6 + IC4H9CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C8OOH5-2C = CC5H10 + C2H5CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C8OOH5-2G = C2H4 + IC5H11CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C8OOH6-2D = DC6H12 + CH3CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C8OOH7-2E = C7H14-5-2 + CH2O + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
!
! 2-METHYLOCTANE
!
!
!
! CLASS 25 .QOOH SPECIES PRODUCED BY AN RO2 ISOMERIZATION WITH AN
INTERMEDIATE RING OF SIX ATOMS DECOMPOSE VIA BETA SCISSION
!
!
C9OOH1-2A = C8H16-1 + CH2O + OH 1.00E+13 0.00
3.0E+04
REV / 0.00 0.00 0.00 /
C9OOH1-2C = C8H16-2 + CH2O + OH 1.00E+13 0.00
3.0E+04
REV / 0.00 0.00 0.00 /
C9OOH2-2D = C6H12-1 + CH3COCH3 + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C9OOH3-2E = C5H10-1 + IC3H7CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C9OOH3-2A = C3H6 + NC5H11CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C9OOH4-2B = IC4H8 + NC4H9CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C9OOH4-2F = C4H8-1 + IC4H9CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C9OOH5-2C = CC5H10 + NC3H7CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C9OOH5-2G = C3H6 + IC5H11CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C9OOH6-2D = DC6H12 + C2H5CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C9OOH6-2H = C2H4 + IC6H13CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C9OOH7-2E = C7H14-5-2 + CH3CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C9OOH8-2F = C8H16-6-2 + CH2O + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
!
!
! 2-METHYLNONANE
!
!
!
!
! CLASS 25 .QOOH SPECIES PRODUCED BY AN RO2 ISOMERIZATION WITH AN
INTERMEDIATE RING OF SIX ATOMS DECOMPOSE VIA BETA SCISSION
!
!
C10OOH1-2A = C9H18-1 + CH2O + OH 1.00E+13 0.00
3.0E+04
REV / 0.00 0.00 0.00 /
C10OOH1-2C = C9H18-2 + CH2O + OH 1.00E+13 0.00
3.0E+04
REV / 0.00 0.00 0.00 /
C10OOH2-2D = C7H14-1 + CH3COCH3 + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C10OOH3-2E = C6H12-1 + IC3H7CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C10OOH3-2A = C3H6 + NC6H13CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C10OOH4-2B = IC4H8 + NC5H11CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C10OOH4-2F = C5H10-1 + IC4H9CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C10OOH5-2C = CC5H10 + NC4H9CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C10OOH5-2G = C4H8-1 + IC5H11CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C10OOH6-2D = DC6H12 + NC3H7CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C10OOH6-2H = C3H6 + IC6H13CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C10OOH7-2E = C7H14-5-2 + C2H5CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C10OOH7-2I = C2H4 + IC7H15CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C10OOH8-2F = C8H16-6-2 + CH3CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C10OOH9-2G = C9H18-7-2 + CH2O + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
!
!
!
!
! 2-METHYLDECANE
!
! CLASS 25 .QOOH SPECIES PRODUCED BY AN RO2 ISOMERIZATION WITH AN
INTERMEDIATE RING OF SIX ATOMS DECOMPOSE VIA BETA SCISSION
!
!
C11OOH1-2A = C10H20-1 + CH2O + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C11OOH1-2C = C10H20-2 + CH2O + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C11OOH2-2D = C8H16-1 + CH3COCH3 + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C11OOH3-2E = C7H14-1 + IC3H7CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C11OOH3-2A = C3H6 + NC7H15CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C11OOH4-2B = IC4H8 + NC6H13CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C11OOH4-2F = C6H12-1 + IC4H9CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C11OOH5-2C = CC5H10 + NC5H11CHO + OH
1.00E+13 0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C11OOH5-2G = C5H10-1 + IC5H11CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C11OOH6-2D = DC6H12 + NC4H9CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C11OOH6-2H = C4H8-1 + IC6H13CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C11OOH7-2E = C7H14-5-2 + NC3H7CHO + OH
1.00E+13 0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C11OOH7-2I = C3H6 + IC7H15CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C11OOH8-2F = C8H16-6-2 + C2H5CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C11OOH8-2J = C2H4 + IC8H17CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C11OOH9-2G = C9H18-7-2 + CH3CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C11OOH10-2H = C10H20-8-2 + CH2O + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
!
! 2-METHYLUNDECANE
!
! CLASS 25 .QOOH SPECIES PRODUCED BY AN RO2 ISOMERIZATION WITH AN
INTERMEDIATE RING OF SIX ATOMS DECOMPOSE VIA BETA SCISSION
!
!
C12OOH1-2A = C11H22-1 + CH2O + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C12OOH1-2C = C11H22-2 + CH2O + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C12OOH2-2D = C9H18-1 + CH3COCH3 + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C12OOH3-2E = C8H16-1 + IC3H7CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C12OOH3-2A = C3H6 + NC8H17CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C12OOH4-2B = IC4H8 + NC7H15CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C12OOH4-2F = C7H14-1 + IC4H9CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C12OOH5-2C = CC5H10 + NC6H13CHO + OH
1.00E+13 0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C12OOH5-2G = C6H12-1 + IC5H11CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C12OOH6-2D = DC6H12 + NC5H11CHO + OH
1.00E+13 0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C12OOH6-2H = C5H10-1 + IC6H13CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C12OOH7-2E = C7H14-5-2 + NC4H9CHO + OH
1.00E+13 0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C12OOH7-2I = C4H8-1 + IC7H15CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C12OOH8-2F = C8H16-6-2 + NC3H7CHO + OH
1.00E+13 0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C12OOH8-2J = C3H6 + IC8H17CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C12OOH9-2G = C9H18-7-2 + C2H5CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C12OOH9-2K = C2H4 + IC9H19CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C12OOH10-2H = C10H20-8-2 + CH3CHO + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
C12OOH11-2I = C11H22-9-2 + CH2O + OH 1.00E+13
0.00 3.0E+04
REV / 0.00 0.00 0.00 /
!
!
!
!
!
! 2-METHYLHEXANE !
!
!
!
!
!
! CLASS 26 ADDITION OF CLASS O2 AND .QOOH TO
FORM PEROXYALKYLHYDROPEROXIDE SPECIES
!
C7OOH1-2A + O2 = C7OOH1-OO1-2 4.52E+12 0 0
C7OOH1-2B + O2 = C7OOH1-OO2-2 1.41E+13 0 0
C7OOH1-2C + O2 = C7OOH1-OO3-2 7.54E+12 0 0
C7OOH1-2D + O2 = C7OOH1-OO4-2 7.54E+12 0 0
C7OOH1-2E + O2 = C7OOH1-OO5-2 7.54E+12 0 0
C7OOH2-2A + O2 = C7OOH2-OO1-2 4.52E+12 0 0
C7OOH2-2C + O2 = C7OOH2-OO3-2 7.54E+12 0 0
C7OOH2-2D + O2 = C7OOH2-OO4-2 7.54E+12 0 0
C7OOH2-2E + O2 = C7OOH2-OO5-2 7.54E+12 0 0
C7OOH2-2F + O2 = C7OOH2-OO6-2 4.52E+12 0 0
C7OOH3-2A + O2 = C7OOH3-OO1-2 4.52E+12 0 0
C7OOH3-2B + O2 = C7OOH3-OO2-2 1.41E+13 0 0
C7OOH3-2D + O2 = C7OOH3-OO4-2 7.54E+12 0 0
C7OOH3-2E + O2 = C7OOH3-OO5-2 7.54E+12 0 0
C7OOH3-2F + O2 = C7OOH3-OO6-2 4.52E+12 0 0
C7OOH4-2A + O2 = C7OOH4-OO1-2 4.52E+12 0 0
C7OOH4-2B + O2 = C7OOH4-OO2-2 1.41E+13 0 0
C7OOH4-2C + O2 = C7OOH4-OO3-2 7.54E+12 0 0
C7OOH4-2E + O2 = C7OOH4-OO5-2 7.54E+12 0 0
C7OOH4-2F + O2 = C7OOH4-OO6-2 4.52E+12 0 0
C7OOH5-2A + O2 = C7OOH5-OO1-2 4.52E+12 0 0
C7OOH5-2B + O2 = C7OOH5-OO2-2 1.41E+13 0 0
C7OOH5-2C + O2 = C7OOH5-OO3-2 7.54E+12 0 0
C7OOH5-2D + O2 = C7OOH5-OO4-2 7.54E+12 0 0
C7OOH5-2F + O2 = C7OOH5-OO6-2 4.52E+12 0 0
C7OOH6-2B + O2 = C7OOH6-OO2-2 1.41E+13 0 0
C7OOH6-2C + O2 = C7OOH6-OO3-2 7.54E+12 0 0
C7OOH6-2D + O2 = C7OOH6-OO4-2 7.54E+12 0 0
C7OOH6-2E + O2 = C7OOH6-OO5-2 7.54E+12 0 0
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
! 2-METHYLHEPTANE
!
!
!
C8OOH1-2A + O2 = C8OOH1-OO1-2 4.52E+12 0 0
C8OOH1-2B + O2 = C8OOH1-OO2-2 1.41E+13 0 0
C8OOH1-2C + O2 = C8OOH1-OO3-2 7.54E+12 0 0
C8OOH1-2D + O2 = C8OOH1-OO4-2 7.54E+12 0 0
C8OOH1-2E + O2 = C8OOH1-OO5-2 7.54E+12 0 0
C8OOH2-2A + O2 = C8OOH2-OO1-2 4.52E+12 0 0
C8OOH2-2C + O2 = C8OOH2-OO3-2 7.54E+12 0 0
C8OOH2-2D + O2 = C8OOH2-OO4-2 7.54E+12 0 0
C8OOH2-2E + O2 = C8OOH2-OO5-2 7.54E+12 0 0
C8OOH2-2F + O2 = C8OOH2-OO6-2 7.54E+12 0 0
C8OOH3-2A + O2 = C8OOH3-OO1-2 4.52E+12 0 0
C8OOH3-2B + O2 = C8OOH3-OO2-2 1.41E+13 0 0
C8OOH3-2D + O2 = C8OOH3-OO4-2 7.54E+12 0 0
C8OOH3-2E + O2 = C8OOH3-OO5-2 7.54E+12 0 0
C8OOH3-2F + O2 = C8OOH3-OO6-2 7.54E+12 0 0
C8OOH3-2G + O2 = C8OOH3-OO7-2 4.52E+12 0 0
C8OOH4-2A + O2 = C8OOH4-OO1-2 4.52E+12 0 0
C8OOH4-2B + O2 = C8OOH4-OO2-2 1.41E+13 0 0
C8OOH4-2C + O2 = C8OOH4-OO3-2 7.54E+12 0 0
C8OOH4-2E + O2 = C8OOH4-OO5-2 7.54E+12 0 0
C8OOH4-2F + O2 = C8OOH4-OO6-2 7.54E+12 0 0
C8OOH4-2G + O2 = C8OOH4-OO7-2 4.52E+12 0 0
C8OOH5-2A + O2 = C8OOH5-OO1-2 4.52E+12 0 0
C8OOH5-2B + O2 = C8OOH5-OO2-2 1.41E+13 0 0
C8OOH5-2C + O2 = C8OOH5-OO3-2 7.54E+12 0 0
C8OOH5-2D + O2 = C8OOH5-OO4-2 7.54E+12 0 0
C8OOH5-2F + O2 = C8OOH5-OO6-2 7.54E+12 0 0
C8OOH5-2G + O2 = C8OOH5-OO7-2 4.52E+12 0 0
C8OOH6-2B + O2 = C8OOH6-OO2-2 1.41E+13 0 0
C8OOH6-2C + O2 = C8OOH6-OO3-2 7.54E+12 0 0
C8OOH6-2D + O2 = C8OOH6-OO4-2 7.54E+12 0 0
C8OOH6-2E + O2 = C8OOH6-OO5-2 7.54E+12 0 0
C8OOH6-2G + O2 = C8OOH6-OO7-2 4.52E+12 0 0
C8OOH7-2C + O2 = C8OOH7-OO3-2 7.54E+12 0 0
C8OOH7-2D + O2 = C8OOH7-OO4-2 7.54E+12 0 0
C8OOH7-2E + O2 = C8OOH7-OO5-2 7.54E+12 0 0
C8OOH7-2F + O2 = C8OOH7-OO6-2 7.54E+12 0 0
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
! 2-METHYLOCTANE ! !
!
!
!
!
!
!
!
!
!
!
C9OOH1-2A + O2 = C9OOH1-OO1-2 4.52E+12 0 0
C9OOH1-2B + O2 = C9OOH1-OO2-2 1.41E+13 0 0
C9OOH1-2C + O2 = C9OOH1-OO3-2 7.54E+12 0 0
C9OOH1-2D + O2 = C9OOH1-OO4-2 7.54E+12 0 0
C9OOH1-2E + O2 = C9OOH1-OO5-2 7.54E+12 0 0
C9OOH2-2A + O2 = C9OOH2-OO1-2 4.52E+12 0 0
C9OOH2-2C + O2 = C9OOH2-OO3-2 7.54E+12 0 0
C9OOH2-2D + O2 = C9OOH2-OO4-2 7.54E+12 0 0
C9OOH2-2E + O2 = C9OOH2-OO5-2 7.54E+12 0 0
C9OOH2-2F + O2 = C9OOH2-OO6-2 7.54E+12 0 0
C9OOH3-2A + O2 = C9OOH3-OO1-2 4.52E+12 0 0
C9OOH3-2B + O2 = C9OOH3-OO2-2 1.41E+13 0 0
C9OOH3-2D + O2 = C9OOH3-OO4-2 7.54E+12 0 0
C9OOH3-2E + O2 = C9OOH3-OO5-2 7.54E+12 0 0
C9OOH3-2F + O2 = C9OOH3-OO6-2 7.54E+12 0 0
C9OOH3-2G + O2 = C9OOH3-OO7-2 7.54E+12 0 0
C9OOH4-2A + O2 = C9OOH4-OO1-2 4.52E+12 0 0
C9OOH4-2B + O2 = C9OOH4-OO2-2 1.41E+13 0 0
C9OOH4-2C + O2 = C9OOH4-OO3-2 7.54E+12 0 0
C9OOH4-2E + O2 = C9OOH4-OO5-2 7.54E+12 0 0
C9OOH4-2F + O2 = C9OOH4-OO6-2 7.54E+12 0 0
C9OOH4-2G + O2 = C9OOH4-OO7-2 7.54E+12 0 0
C9OOH4-2H + O2 = C9OOH4-OO8-2 4.52E+12 0 0
C9OOH5-2A + O2 = C9OOH5-OO1-2 4.52E+12 0 0
C9OOH5-2B + O2 = C9OOH5-OO2-2 1.41E+13 0 0
C9OOH5-2C + O2 = C9OOH5-OO3-2 7.54E+12 0 0
C9OOH5-2D + O2 = C9OOH5-OO4-2 7.54E+12 0 0
C9OOH5-2F + O2 = C9OOH5-OO6-2 7.54E+12 0 0
C9OOH5-2G + O2 = C9OOH5-OO7-2 7.54E+12 0 0
C9OOH5-2H + O2 = C9OOH5-OO8-2 4.52E+12 0 0
C9OOH6-2B + O2 = C9OOH6-OO2-2 1.41E+13 0 0
C9OOH6-2C + O2 = C9OOH6-OO3-2 7.54E+12 0 0
C9OOH6-2D + O2 = C9OOH6-OO4-2 7.54E+12 0 0
C9OOH6-2E + O2 = C9OOH6-OO5-2 7.54E+12 0 0
C9OOH6-2G + O2 = C9OOH6-OO7-2 7.54E+12 0 0
C9OOH6-2H + O2 = C9OOH6-OO8-2 4.52E+12 0 0
C9OOH7-2C + O2 = C9OOH7-OO3-2 7.54E+12 0 0
C9OOH7-2D + O2 = C9OOH7-OO4-2 7.54E+12 0 0
C9OOH7-2E + O2 = C9OOH7-OO5-2 7.54E+12 0 0
C9OOH7-2F + O2 = C9OOH7-OO6-2 7.54E+12 0 0
C9OOH7-2H + O2 = C9OOH7-OO8-2 4.52E+12 0 0
C9OOH8-2D + O2 = C9OOH8-OO4-2 7.54E+12 0 0
C9OOH8-2E + O2 = C9OOH8-OO5-2 7.54E+12 0 0
C9OOH8-2F + O2 = C9OOH8-OO6-2 7.54E+12 0 0
C9OOH8-2G + O2 = C9OOH8-OO7-2 7.54E+12 0 0
!
!
!
!
!
!
!
!
!
!
! 2-METHYLNONANE ! !
!
!
!
C10OOH1-2A + O2 = C10OOH1-OO1-2 4.52E+12 0 0
C10OOH1-2B + O2 = C10OOH1-OO2-2 1.41E+13 0 0
C10OOH1-2C + O2 = C10OOH1-OO3-2 7.54E+12 0 0
C10OOH1-2D + O2 = C10OOH1-OO4-2 7.54E+12 0 0
C10OOH1-2E + O2 = C10OOH1-OO5-2 7.54E+12 0 0
C10OOH2-2A + O2 = C10OOH2-OO1-2 4.52E+12 0 0
C10OOH2-2C + O2 = C10OOH2-OO3-2 7.54E+12 0 0
C10OOH2-2D + O2 = C10OOH2-OO4-2 7.54E+12 0 0
C10OOH2-2E + O2 = C10OOH2-OO5-2 7.54E+12 0 0
C10OOH2-2F + O2 = C10OOH2-OO6-2 7.54E+12 0 0
C10OOH3-2A + O2 = C10OOH3-OO1-2 4.52E+12 0 0
C10OOH3-2B + O2 = C10OOH3-OO2-2 1.41E+13 0 0
C10OOH3-2D + O2 = C10OOH3-OO4-2 7.54E+12 0 0
C10OOH3-2E + O2 = C10OOH3-OO5-2 7.54E+12 0 0
C10OOH3-2F + O2 = C10OOH3-OO6-2 7.54E+12 0 0
C10OOH3-2G + O2 = C10OOH3-OO7-2 7.54E+12 0 0
C10OOH4-2A + O2 = C10OOH4-OO1-2 4.52E+12 0 0
C10OOH4-2B + O2 = C10OOH4-OO2-2 1.41E+13 0 0
C10OOH4-2C + O2 = C10OOH4-OO3-2 7.54E+12 0 0
C10OOH4-2E + O2 = C10OOH4-OO5-2 7.54E+12 0 0
C10OOH4-2F + O2 = C10OOH4-OO6-2 7.54E+12 0 0
C10OOH4-2G + O2 = C10OOH4-OO7-2 7.54E+12 0 0
C10OOH4-2H + O2 = C10OOH4-OO8-2 7.54E+12 0 0
C10OOH5-2A + O2 = C10OOH5-OO1-2 4.52E+12 0 0
C10OOH5-2B + O2 = C10OOH5-OO2-2 1.41E+13 0 0
C10OOH5-2C + O2 = C10OOH5-OO3-2 7.54E+12 0 0
C10OOH5-2D + O2 = C10OOH5-OO4-2 7.54E+12 0 0
C10OOH5-2F + O2 = C10OOH5-OO6-2 7.54E+12 0 0
C10OOH5-2G + O2 = C10OOH5-OO7-2 7.54E+12 0 0
C10OOH5-2H + O2 = C10OOH5-OO8-2 7.54E+12 0 0
C10OOH5-2I + O2 = C10OOH5-OO9-2 4.52E+12 0 0
C10OOH6-2B + O2 = C10OOH6-OO2-2 1.41E+13 0 0
C10OOH6-2C + O2 = C10OOH6-OO3-2 7.54E+12 0 0
C10OOH6-2D + O2 = C10OOH6-OO4-2 7.54E+12 0 0
C10OOH6-2E + O2 = C10OOH6-OO5-2 7.54E+12 0 0
C10OOH6-2G + O2 = C10OOH6-OO7-2 7.54E+12 0 0
C10OOH6-2H + O2 = C10OOH6-OO8-2 7.54E+12 0 0
C10OOH6-2I + O2 = C10OOH6-OO9-2 4.52E+12 0 0
C10OOH7-2C + O2 = C10OOH7-OO3-2 7.54E+12 0 0
C10OOH7-2D + O2 = C10OOH7-OO4-2 7.54E+12 0 0
C10OOH7-2E + O2 = C10OOH7-OO5-2 7.54E+12 0 0
C10OOH7-2F + O2 = C10OOH7-OO6-2 7.54E+12 0 0
C10OOH7-2H + O2 = C10OOH7-OO8-2 7.54E+12 0 0
C10OOH7-2I + O2 = C10OOH7-OO9-2 4.52E+12 0 0
C10OOH8-2D + O2 = C10OOH8-OO4-2 7.54E+12 0 0
C10OOH8-2E + O2 = C10OOH8-OO5-2 7.54E+12 0 0
C10OOH8-2F + O2 = C10OOH8-OO6-2 7.54E+12 0 0
C10OOH8-2G + O2 = C10OOH8-OO7-2 7.54E+12 0 0
C10OOH8-2I + O2 = C10OOH8-OO9-2 4.52E+12 0 0
C10OOH9-2E + O2 = C10OOH9-OO5-2 7.54E+12 0 0
C10OOH9-2F + O2 = C10OOH9-OO6-2 7.54E+12 0 0
C10OOH9-2G + O2 = C10OOH9-OO7-2 7.54E+12 0 0
C10OOH9-2H + O2 = C10OOH9-OO8-2 7.54E+12 0 0
!
!
!
!
!
!
!
!
!
!
!
!
! 2-METHYLDECANE ! !
!
!
!
!
!
!
!
!
!
!
C11OOH1-2A + O2 = C11OOH1-OO1-2 4.52E+12 0 0
C11OOH1-2B + O2 = C11OOH1-OO2-2 1.41E+13 0 0
C11OOH1-2C + O2 = C11OOH1-OO3-2 7.54E+12 0 0
C11OOH1-2D + O2 = C11OOH1-OO4-2 7.54E+12 0 0
C11OOH1-2E + O2 = C11OOH1-OO5-2 7.54E+12 0 0
C11OOH2-2A + O2 = C11OOH2-OO1-2 4.52E+12 0 0
C11OOH2-2C + O2 = C11OOH2-OO3-2 7.54E+12 0 0
C11OOH2-2D + O2 = C11OOH2-OO4-2 7.54E+12 0 0
C11OOH2-2E + O2 = C11OOH2-OO5-2 7.54E+12 0 0
C11OOH2-2F + O2 = C11OOH2-OO6-2 7.54E+12 0 0
C11OOH3-2A + O2 = C11OOH3-OO1-2 4.52E+12 0 0
C11OOH3-2B + O2 = C11OOH3-OO2-2 1.41E+13 0 0
C11OOH3-2D + O2 = C11OOH3-OO4-2 7.54E+12 0 0
C11OOH3-2E + O2 = C11OOH3-OO5-2 7.54E+12 0 0
C11OOH3-2F + O2 = C11OOH3-OO6-2 7.54E+12 0 0
C11OOH3-2G + O2 = C11OOH3-OO7-2 7.54E+12 0 0
C11OOH4-2A + O2 = C11OOH4-OO1-2 4.52E+12 0 0
C11OOH4-2B + O2 = C11OOH4-OO2-2 1.41E+13 0 0
C11OOH4-2C + O2 = C11OOH4-OO3-2 7.54E+12 0 0
C11OOH4-2E + O2 = C11OOH4-OO5-2 7.54E+12 0 0
C11OOH4-2F + O2 = C11OOH4-OO6-2 7.54E+12 0 0
C11OOH4-2G + O2 = C11OOH4-OO7-2 7.54E+12 0 0
C11OOH4-2H + O2 = C11OOH4-OO8-2 7.54E+12 0 0
C11OOH5-2A + O2 = C11OOH5-OO1-2 4.52E+12 0 0
C11OOH5-2B + O2 = C11OOH5-OO2-2 1.41E+13 0 0
C11OOH5-2C + O2 = C11OOH5-OO3-2 7.54E+12 0 0
C11OOH5-2D + O2 = C11OOH5-OO4-2 7.54E+12 0 0
C11OOH5-2F + O2 = C11OOH5-OO6-2 7.54E+12 0 0
C11OOH5-2G + O2 = C11OOH5-OO7-2 7.54E+12 0 0
C11OOH5-2H + O2 = C11OOH5-OO8-2 7.54E+12 0 0
C11OOH5-2I + O2 = C11OOH5-OO9-2 7.54E+12 0 0
C11OOH6-2B + O2 = C11OOH6-OO2-2 1.41E+13 0 0
C11OOH6-2C + O2 = C11OOH6-OO3-2 7.54E+12 0 0
C11OOH6-2D + O2 = C11OOH6-OO4-2 7.54E+12 0 0
C11OOH6-2E + O2 = C11OOH6-OO5-2 7.54E+12 0 0
C11OOH6-2G + O2 = C11OOH6-OO7-2 7.54E+12 0 0
C11OOH6-2H + O2 = C11OOH6-OO8-2 7.54E+12 0 0
C11OOH6-2I + O2 = C11OOH6-OO9-2 7.54E+12 0 0
C11OOH6-2J + O2 = C11OOH6OO10-2 4.52E+12 0 0
C11OOH7-2C + O2 = C11OOH7-OO3-2 7.54E+12 0 0
C11OOH7-2D + O2 = C11OOH7-OO4-2 7.54E+12 0 0
C11OOH7-2E + O2 = C11OOH7-OO5-2 7.54E+12 0 0
C11OOH7-2F + O2 = C11OOH7-OO6-2 7.54E+12 0 0
C11OOH7-2H + O2 = C11OOH7-OO8-2 7.54E+12 0 0
C11OOH7-2I + O2 = C11OOH7-OO9-2 7.54E+12 0 0
C11OOH7-2J + O2 = C11OOH7OO10-2 4.52E+12 0 0
C11OOH8-2D + O2 = C11OOH8-OO4-2 7.54E+12 0 0
C11OOH8-2E + O2 = C11OOH8-OO5-2 7.54E+12 0 0
C11OOH8-2F + O2 = C11OOH8-OO6-2 7.54E+12 0 0
C11OOH8-2G + O2 = C11OOH8-OO7-2 7.54E+12 0 0
C11OOH8-2I + O2 = C11OOH8-OO9-2 7.54E+12 0 0
C11OOH8-2J + O2 = C11OOH8OO10-2 4.52E+12 0 0
C11OOH9-2E + O2 = C11OOH9-OO5-2 7.54E+12 0 0
C11OOH9-2F + O2 = C11OOH9-OO6-2 7.54E+12 0 0
C11OOH9-2G + O2 = C11OOH9-OO7-2 7.54E+12 0 0
C11OOH9-2H + O2 = C11OOH9-OO8-2 7.54E+12 0 0
C11OOH9-2J + O2 = C11OOH9OO10-2 4.52E+12 0 0
C11OOH10-2F + O2 = C11OOH10OO6-2 7.54E+12 0 0
C11OOH10-2G + O2 = C11OOH10OO7-2 7.54E+12 0 0
C11OOH10-2H + O2 = C11OOH10OO8-2 7.54E+12 0 0
C11OOH10-2I + O2 = C11OOH10OO9-2 7.54E+12 0 0
!
!
!
!
!
!
! 2-METHYLDODECANE ! !
!
!
!
!
!
!
!
!
!
!
C12OOH1-2A + O2 = C12OOH1-OO1-2 4.52E+12 0 0
C12OOH1-2B + O2 = C12OOH1-OO2-2 1.41E+13 0 0
C12OOH1-2C + O2 = C12OOH1-OO3-2 7.54E+12 0 0
C12OOH1-2D + O2 = C12OOH1-OO4-2 7.54E+12 0 0
C12OOH1-2E + O2 = C12OOH1-OO5-2 7.54E+12 0 0
C12OOH2-2A + O2 = C12OOH2-OO1-2 4.52E+12 0 0
C12OOH2-2C + O2 = C12OOH2-OO3-2 7.54E+12 0 0
C12OOH2-2D + O2 = C12OOH2-OO4-2 7.54E+12 0 0
C12OOH2-2E + O2 = C12OOH2-OO5-2 7.54E+12 0 0
C12OOH2-2F + O2 = C12OOH2-OO6-2 7.54E+12 0 0
C12OOH3-2A + O2 = C12OOH3-OO1-2 4.52E+12 0 0
C12OOH3-2B + O2 = C12OOH3-OO2-2 1.41E+13 0 0
C12OOH3-2D + O2 = C12OOH3-OO4-2 7.54E+12 0 0
C12OOH3-2E + O2 = C12OOH3-OO5-2 7.54E+12 0 0
C12OOH3-2F + O2 = C12OOH3-OO6-2 7.54E+12 0 0
C12OOH3-2G + O2 = C12OOH3-OO7-2 7.54E+12 0 0
C12OOH4-2A + O2 = C12OOH4-OO1-2 4.52E+12 0 0
C12OOH4-2B + O2 = C12OOH4-OO2-2 1.41E+13 0 0
C12OOH4-2C + O2 = C12OOH4-OO3-2 7.54E+12 0 0
C12OOH4-2E + O2 = C12OOH4-OO5-2 7.54E+12 0 0
C12OOH4-2F + O2 = C12OOH4-OO6-2 7.54E+12 0 0
C12OOH4-2G + O2 = C12OOH4-OO7-2 7.54E+12 0 0
C12OOH4-2H + O2 = C12OOH4-OO8-2 7.54E+12 0 0
C12OOH5-2A + O2 = C12OOH5-OO1-2 4.52E+12 0 0
C12OOH5-2B + O2 = C12OOH5-OO2-2 1.41E+13 0 0
C12OOH5-2C + O2 = C12OOH5-OO3-2 7.54E+12 0 0
C12OOH5-2D + O2 = C12OOH5-OO4-2 7.54E+12 0 0
C12OOH5-2F + O2 = C12OOH5-OO6-2 7.54E+12 0 0
C12OOH5-2G + O2 = C12OOH5-OO7-2 7.54E+12 0 0
C12OOH5-2H + O2 = C12OOH5-OO8-2 7.54E+12 0 0
C12OOH5-2I + O2 = C12OOH5-OO9-2 7.54E+12 0 0
C12OOH6-2B + O2 = C12OOH6-OO2-2 1.41E+13 0 0
C12OOH6-2C + O2 = C12OOH6-OO3-2 7.54E+12 0 0
C12OOH6-2D + O2 = C12OOH6-OO4-2 7.54E+12 0 0
C12OOH6-2E + O2 = C12OOH6-OO5-2 7.54E+12 0 0
C12OOH6-2G + O2 = C12OOH6-OO7-2 7.54E+12 0 0
C12OOH6-2H + O2 = C12OOH6-OO8-2 7.54E+12 0 0
C12OOH6-2I + O2 = C12OOH6-OO9-2 7.54E+12 0 0
C12OOH6-2J + O2 = C12OOH6OO10-2 7.54E+12 0 0
C12OOH7-2C + O2 = C12OOH7-OO3-2 7.54E+12 0 0
C12OOH7-2D + O2 = C12OOH7-OO4-2 7.54E+12 0 0
C12OOH7-2E + O2 = C12OOH7-OO5-2 7.54E+12 0 0
C12OOH7-2F + O2 = C12OOH7-OO6-2 7.54E+12 0 0
C12OOH7-2H + O2 = C12OOH7-OO8-2 7.54E+12 0 0
C12OOH7-2I + O2 = C12OOH7-OO9-2 7.54E+12 0 0
C12OOH7-2J + O2 = C12OOH7OO10-2 7.54E+12 0 0
C12OOH7-2K + O2 = C12OOH7OO11-2 4.52E+12 0 0
C12OOH8-2D + O2 = C12OOH8-OO4-2 7.54E+12 0 0
C12OOH8-2E + O2 = C12OOH8-OO5-2 7.54E+12 0 0
C12OOH8-2F + O2 = C12OOH8-OO6-2 7.54E+12 0 0
C12OOH8-2G + O2 = C12OOH8-OO7-2 7.54E+12 0 0
C12OOH8-2I + O2 = C12OOH8-OO9-2 7.54E+12 0 0
C12OOH8-2J + O2 = C12OOH8OO10-2 7.54E+12 0 0
C12OOH8-2K + O2 = C12OOH8OO11-2 4.52E+12 0 0
C12OOH9-2E + O2 = C12OOH9-OO5-2 7.54E+12 0 0
C12OOH9-2F + O2 = C12OOH9-OO6-2 7.54E+12 0 0
C12OOH9-2G + O2 = C12OOH9-OO7-2 7.54E+12 0 0
C12OOH9-2H + O2 = C12OOH9-OO8-2 7.54E+12 0 0
C12OOH9-2J + O2 = C12OOH9OO10-2 7.54E+12 0 0
C12OOH9-2K + O2 = C12OOH9OO11-2 4.52E+12 0 0
C12OOH10-2F + O2 = C12OOH10OO6-2 7.54E+12 0 0
C12OOH10-2G + O2 = C12OOH10OO7-2 7.54E+12 0 0
C12OOH10-2H + O2 = C12OOH10OO8-2 7.54E+12 0 0
C12OOH10-2I + O2 = C12OOH10OO9-2 7.54E+12 0 0
C12OOH10-2K + O2 = C12OOH10OO11-2 4.52E+12 0 0
C12OOH11-2G + O2 = C12OOH11OO7-2 7.54E+12 0 0
C12OOH11-2H + O2 = C12OOH11OO8-2 7.54E+12 0 0
C12OOH11-2I + O2 = C12OOH11OO9-2 7.54E+12 0 0
C12OOH11-2J + O2 = C12OOH11OO10-2 7.54E+12 0 0
!
!
!
! 2-METHYLHEXANE
!
!
!
!
!
!
!
!
!
!
! CLASS 27 DECOMPOSITION OF PEROXYALKYLHYDROPEROXIDE TO FORM
KETOHYDROPEROXIDE S(KET) PLUS OH
! .OOQOOH = KETOHYDROPEROXIDE + OH
! (1ST NUMBER IS KETENE GROUP; 2ND NUMBER IS OOH GROUP)
!
!
!
!
!
C7OOH1-OO1-2 = C7KET1-1-2 + OH 2.50E+10 0.00
2.100E+04
C7OOH1-OO2-2 = C7KET1-2-2 + OH 2.00E+11 0.00
2.600E+04
C7OOH1-OO3-2 = C7KET1-3-2 + OH 2.50E+10 0.00
2.100E+04
C7OOH1-OO4-2 = C7KET1-4-2 + OH 3.125E+09 0.00 1.895E+04
C7OOH1-OO5-2 = C7KET1-5-2 + OH 3.906E+08 0.00 2.215E+04
C7OOH3-OO1-2 = C7KET3-1-2 + OH 1.250E+10 0.00 1.745E+04
C7OOH3-OO2-2 = C7KET3-2-2 + OH 1.000E+11 0.00 2.345E+04
C7OOH3-OO4-2 = C7KET3-4-2 + OH 1.000E+11 0.00 2.345E+04
C7OOH3-OO5-2 = C7KET3-5-2 + OH 1.250E+10 0.00 1.745E+04
C7OOH3-OO6-2 = C7KET3-6-2 + OH 1.56E+09 0.00 1.565E+04
!
!
!
!
!
C8OOH1-OO1-2 = C8KET1-1-2 + OH 2.50E+10 0.00
2.100E+04
C8OOH1-OO2-2 = C8KET1-2-2 + OH 2.00E+11 0.00
2.600E+04
C8OOH1-OO3-2 = C8KET1-3-2 + OH 2.50E+10 0.00
2.100E+04
C8OOH1-OO4-2 = C8KET1-4-2 + OH 3.125E+09 0.00 1.895E+04
C8OOH1-OO5-2 = C8KET1-5-2 + OH 3.90E+08 0.00
2.26E+04
C8OOH3-OO1-2 = C8KET3-1-2 + OH 1.250E+10 0.00 1.745E+04
C8OOH3-OO2-2 = C8KET3-2-2 + OH 1.000E+11 0.00 2.345E+04
C8OOH3-OO4-2 = C8KET3-4-2 + OH 1.000E+11 0.00 2.345E+04
C8OOH3-OO5-2 = C8KET3-5-2 + OH 1.250E+10 0.00 1.745E+04
C8OOH3-OO6-2 = C8KET3-6-2 + OH 1.56E+09 0.00 1.565E+04
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
! CLASS 27 DECOMPOSITION OF PEROXYALKYLHYDROPEROXIDE TO FORM
KETOHYDROPEROXIDE S(KET) PLUS OH
! .OOQOOH = KETOHYDROPEROXIDE + OH
! (1ST NUMBER IS KETENE GROUP; 2ND NUMBER IS OOH GROUP)
!
C9OOH1-OO1-2 = C9KET1-1-2 + OH 2.50E+10 0.00
2.100E+04
C9OOH1-OO2-2 = C9KET1-2-2 + OH 2.00E+11 0.00
2.600E+04
C9OOH1-OO3-2 = C9KET1-3-2 + OH 2.50E+10 0.00
2.100E+04
C9OOH1-OO4-2 = C9KET1-4-2 + OH 3.125E+09 0.00 1.895E+04
C9OOH1-OO5-2 = C9KET1-5-2 + OH 3.906E+08 0.00 2.215E+04
C9OOH3-OO1-2 = C9KET3-1-2 + OH 1.250E+10 0.00 1.745E+04
C9OOH3-OO2-2 = C9KET3-2-2 + OH 1.000E+11 0.00 2.345E+04
C9OOH3-OO4-2 = C9KET3-4-2 + OH 1.000E+11 0.00 2.345E+04
C9OOH3-OO5-2 = C9KET3-5-2 + OH 1.250E+10 0.00 1.745E+04
C9OOH3-OO6-2 = C9KET3-6-2 + OH 1.56E+09 0.00 1.565E+04
!
!
C10OOH1-OO1-2 = C10KET1-1-2 + OH 2.50E+10 0.00
2.100E+04
C10OOH1-OO2-2 = C10KET1-2-2 + OH 2.00E+11 0.00
2.600E+04
C10OOH1-OO3-2 = C10KET1-3-2 + OH 2.50E+10 0.00
2.100E+04
C10OOH1-OO4-2 = C10KET1-4-2 + OH 3.125E+09 0.00
1.895E+04
C10OOH1-OO5-2 = C10KET1-5-2 + OH 3.90E+08 0.00
2.26E+04
C10OOH3-OO1-2 = C10KET3-1-2 + OH 1.250E+10 0.00
1.745E+04
C10OOH3-OO2-2 = C10KET3-2-2 + OH 1.000E+11 0.00
2.345E+04
C10OOH3-OO4-2 = C10KET3-4-2 + OH 1.000E+11 0.00
2.345E+04
C10OOH3-OO5-2 = C10KET3-5-2 + OH 1.250E+10 0.00
1.745E+04
C10OOH3-OO6-2 = C10KET3-6-2 + OH 1.56E+09 0.00
1.565E+04
C10OOH3-OO7-2 = C10KET3-7-2 + OH 1.96E+08 0.00
1.865E+04
C10OOH4-OO1-2 = C10KET4-1-2 + OH 1.56E+09 0.00
1.565E+04
C10OOH4-OO2-2 = C10KET4-2-2 + OH 1.250E+10 0.00
1.745E+04
C10OOH4-OO3-2 = C10KET4-3-2 + OH 1.000E+11 0.00
2.345E+04
C10OOH4-OO5-2 = C10KET4-5-2 + OH 1.000E+11 0.00
2.345E+04
C10OOH4-OO6-2 = C10KET4-6-2 + OH 1.250E+10 0.00
1.745E+04
C10OOH4-OO7-2 = C10KET4-7-2 + OH 1.56E+09 0.00
1.565E+04
C10OOH4-OO8-2 = C10KET4-8-2 + OH 1.96E+08 0.00
1.865E+04
C10OOH5-OO1-2 = C10KET5-1-2 + OH 1.96E+08 0.00
1.865E+04
C10OOH5-OO2-2 = C10KET5-2-2 + OH 1.56E+09 0.00
1.565E+04
C10OOH5-OO3-2 = C10KET5-3-2 + OH 1.250E+10 0.00
1.745E+04
C10OOH5-OO4-2 = C10KET5-4-2 + OH 1.000E+11 0.00
2.345E+04
C10OOH5-OO6-2 = C10KET5-6-2 + OH 1.000E+11 0.00
2.345E+04
C10OOH5-OO7-2 = C10KET5-7-2 + OH 1.250E+10 0.00
1.745E+04
C10OOH5-OO8-2 = C10KET5-8-2 + OH 1.56E+09 0.00
1.565E+04
C10OOH5-OO9-2 = C10KET5-9-2 + OH 1.96E+08 0.00
1.865E+04
C10OOH6-OO2-2 = C10KET6-2-2 + OH 1.96E+08 0.00
1.865E+04
C10OOH6-OO3-2 = C10KET6-3-2 + OH 1.56E+09 0.00
1.565E+04
C10OOH6-OO4-2 = C10KET6-4-2 + OH 1.250E+10 0.00
1.745E+04
C10OOH6-OO5-2 = C10KET6-5-2 + OH 1.000E+11 0.00
2.345E+04
C10OOH6-OO7-2 = C10KET6-7-2 + OH 1.000E+11 0.00
2.345E+04
C10OOH6-OO8-2 = C10KET6-8-2 + OH 1.250E+10 0.00
1.745E+04
C10OOH6-OO9-2 = C10KET6-9-2 + OH 1.56E+09 0.00
1.565E+04
C10OOH7-OO3-2 = C10KET7-3-2 + OH 1.96E+08 0.00
1.865E+04
C10OOH7-OO4-2 = C10KET7-4-2 + OH 1.56E+09 0.00
1.565E+04
C10OOH7-OO5-2 = C10KET7-5-2 + OH 1.250E+10 0.00
1.745E+04
C10OOH7-OO6-2 = C10KET7-6-2 + OH 1.000E+11 0.00
2.345E+04
C10OOH7-OO8-2 = C10KET7-8-2 + OH 1.000E+11 0.00
2.345E+04
C10OOH7-OO9-2 = C10KET7-9-2 + OH 1.250E+10 0.00
1.745E+04
C10OOH8-OO4-2 = C10KET8-4-2 + OH 1.96E+08 0.00
1.865E+04
C10OOH8-OO5-2 = C10KET8-5-2 + OH 1.56E+09 0.00
1.565E+04
C10OOH8-OO6-2 = C10KET8-6-2 + OH 1.250E+10 0.00
1.745E+04
C10OOH8-OO7-2 = C10KET8-7-2 + OH 1.000E+11 0.00
2.345E+04
C10OOH8-OO9-2 = C10KET8-9-2 + OH 1.000E+11 0.00
2.345E+04
C10OOH9-OO5-2 = C10KET9-5-2 + OH 3.906E+08 0.00
2.215E+04
C10OOH9-OO6-2 = C10KET9-6-2 + OH 3.125E+09 0.00
1.895E+04
C10OOH9-OO7-2 = C10KET9-7-2 + OH 2.500E+10 0.00
2.100E+04
C10OOH9-OO8-2 = C10KET9-8-2 + OH 2.00E+11 0.00
2.600E+04
!
!
!
!
!
!
!
!
!
!
!
!
!
! 2-METHYLDECANE
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
! CLASS 27 DECOMPOSITION OF PEROXYALKYLHYDROPEROXIDE TO FORM
KETOHYDROPEROXIDE S(KET) PLUS OH
! .OOQOOH = KETOHYDROPEROXIDE + OH
! (1ST NUMBER IS KETENE GROUP; 2ND NUMBER IS OOH GROUP)
!
!
!
!
C11OOH1-OO1-2 = C11KET1-1-2 + OH 2.50E+10 0.00
2.100E+04
C11OOH1-OO2-2 = C11KET1-2-2 + OH 2.00E+11 0.00
2.600E+04
C11OOH1-OO3-2 = C11KET1-3-2 + OH 2.50E+10 0.00
2.100E+04
C11OOH1-OO4-2 = C11KET1-4-2 + OH 3.125E+09 0.00
1.895E+04
C11OOH1-OO5-2 = C11KET1-5-2 + OH 3.90E+08 0.00
2.26E+04
C11OOH3-OO1-2 = C11KET3-1-2 + OH 1.250E+10 0.00
1.745E+04
C11OOH3-OO2-2 = C11KET3-2-2 + OH 1.000E+11 0.00
2.345E+04
C11OOH3-OO4-2 = C11KET3-4-2 + OH 1.000E+11 0.00
2.345E+04
C11OOH3-OO5-2 = C11KET3-5-2 + OH 1.250E+10 0.00
1.745E+04
C11OOH3-OO6-2 = C11KET3-6-2 + OH 1.56E+09 0.00
1.565E+04
C11OOH3-OO7-2 = C11KET3-7-2 + OH 1.96E+08 0.00
1.865E+04
C11OOH4-OO1-2 = C11KET4-1-2 + OH 1.56E+09 0.00
1.565E+04
C11OOH4-OO2-2 = C11KET4-2-2 + OH 1.250E+10 0.00
1.745E+04
C11OOH4-OO3-2 = C11KET4-3-2 + OH 1.000E+11 0.00
2.345E+04
C11OOH4-OO5-2 = C11KET4-5-2 + OH 1.000E+11 0.00
2.345E+04
C11OOH4-OO6-2 = C11KET4-6-2 + OH 1.250E+10 0.00
1.745E+04
C11OOH4-OO7-2 = C11KET4-7-2 + OH 1.56E+09 0.00
1.565E+04
C11OOH4-OO8-2 = C11KET4-8-2 + OH 1.96E+08 0.00
1.865E+04
C11OOH5-OO1-2 = C11KET5-1-2 + OH 1.96E+08 0.00
1.865E+04
C11OOH5-OO2-2 = C11KET5-2-2 + OH 1.56E+09 0.00
1.565E+04
C11OOH5-OO3-2 = C11KET5-3-2 + OH 1.250E+10 0.00
1.745E+04
C11OOH5-OO4-2 = C11KET5-4-2 + OH 1.000E+11 0.00
2.345E+04
C11OOH5-OO6-2 = C11KET5-6-2 + OH 1.000E+11 0.00
2.345E+04
C11OOH5-OO7-2 = C11KET5-7-2 + OH 1.250E+10 0.00
1.745E+04
C11OOH5-OO8-2 = C11KET5-8-2 + OH 1.56E+09 0.00
1.565E+04
C11OOH5-OO9-2 = C11KET5-9-2 + OH 1.96E+08 0.00
1.865E+04
C11OOH6-OO2-2 = C11KET6-2-2 + OH 1.96E+08 0.00
1.865E+04
C11OOH6-OO3-2 = C11KET6-3-2 + OH 1.56E+09 0.00
1.565E+04
C11OOH6-OO4-2 = C11KET6-4-2 + OH 1.250E+10 0.00
1.745E+04
C11OOH6-OO5-2 = C11KET6-5-2 + OH 1.000E+11 0.00
2.345E+04
C11OOH6-OO7-2 = C11KET6-7-2 + OH 1.000E+11 0.00
2.345E+04
C11OOH6-OO8-2 = C11KET6-8-2 + OH 1.250E+10 0.00
1.745E+04
C11OOH6-OO9-2 = C11KET6-9-2 + OH 1.56E+09 0.00
1.565E+04
C11OOH6OO10-2 = C11KET6-10-2 + OH 1.96E+08 0.00
1.865E+04
C11OOH7-OO3-2 = C11KET7-3-2 + OH 1.96E+08 0.00
1.865E+04
C11OOH7-OO4-2 = C11KET7-4-2 + OH 1.56E+09 0.00
1.565E+04
C11OOH7-OO5-2 = C11KET7-5-2 + OH 1.250E+10 0.00
1.745E+04
C11OOH7-OO6-2 = C11KET7-6-2 + OH 1.000E+11 0.00
2.345E+04
C11OOH7-OO8-2 = C11KET7-8-2 + OH 1.000E+11 0.00
2.345E+04
C11OOH7-OO9-2 = C11KET7-9-2 + OH 1.250E+10 0.00
1.745E+04
C11OOH7OO10-2 = C11KET7-10-2 + OH 1.56E+09 0.00
1.565E+04
C11OOH8-OO4-2 = C11KET8-4-2 + OH 1.96E+08 0.00
1.865E+04
C11OOH8-OO5-2 = C11KET8-5-2 + OH 1.56E+09 0.00
1.565E+04
C11OOH8-OO6-2 = C11KET8-6-2 + OH 1.250E+10 0.00
1.745E+04
C11OOH8-OO7-2 = C11KET8-7-2 + OH 1.000E+11 0.00
2.345E+04
C11OOH8-OO9-2 = C11KET8-9-2 + OH 1.000E+11 0.00
2.345E+04
C11OOH8OO10-2 = C11KET8-10-2 + OH 1.250E+10 0.00
1.745E+04
C11OOH9-OO5-2 = C11KET9-5-2 + OH 1.96E+08 0.00
1.865E+04
C11OOH9-OO6-2 = C11KET9-6-2 + OH 1.56E+09 0.00
1.565E+04
C11OOH9-OO7-2 = C11KET9-7-2 + OH 1.250E+10 0.00
1.745E+04
C11OOH9-OO8-2 = C11KET9-8-2 + OH 1.000E+11 0.00
2.345E+04
C11OOH9OO10-2 = C11KET9-10-2 + OH 1.000E+11 0.00
2.345E+04
C11OOH10OO6-2 = C11KET10-6-2 + OH 3.906E+08 0.00
2.215E+04
C11OOH10OO7-2 = C11KET10-7-2 + OH 3.125E+09 0.00
1.895E+04
C11OOH10OO8-2 = C11KET10-8-2 + OH 2.500E+10 0.00
2.100E+04
C11OOH10OO9-2 = C11KET10-9-2 + OH 2.00E+11 0.00
2.600E+04
!
!
!
!
!
!
! 2-METHYLDODECANE
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
! CLASS 27 DECOMPOSITION OF PEROXYALKYLHYDROPEROXIDE TO FORM
KETOHYDROPEROXIDE S(KET) PLUS OH
! .OOQOOH = KETOHYDROPEROXIDE + OH
! (1ST NUMBER IS KETENE GROUP; 2ND NUMBER IS OOH GROUP)
!
C12OOH1-OO1-2 = C12KET1-1-2 + OH 2.50E+10 0.00
2.100E+04
C12OOH1-OO2-2 = C12KET1-2-2 + OH 2.00E+11 0.00
2.600E+04
C12OOH1-OO3-2 = C12KET1-3-2 + OH 2.50E+10 0.00
2.100E+04
C12OOH1-OO4-2 = C12KET1-4-2 + OH 3.125E+09 0.00
1.895E+04
C12OOH1-OO5-2 = C12KET1-5-2 + OH 3.906E+08 0.00
2.215E+04
C12OOH3-OO1-2 = C12KET3-1-2 + OH 1.250E+10 0.00
1.745E+04
C12OOH3-OO2-2 = C12KET3-2-2 + OH 1.000E+11 0.00
2.345E+04
C12OOH3-OO4-2 = C12KET3-4-2 + OH 1.000E+11 0.00
2.345E+04
C12OOH3-OO5-2 = C12KET3-5-2 + OH 1.250E+10 0.00
1.745E+04
C12OOH3-OO6-2 = C12KET3-6-2 + OH 1.56E+09 0.00
1.565E+04
C12OOH3-OO7-2 = C12KET3-7-2 + OH 1.96E+08 0.00
1.865E+04
C12OOH4-OO1-2 = C12KET4-1-2 + OH 1.56E+09 0.00
1.565E+04
C12OOH4-OO2-2 = C12KET4-2-2 + OH 1.250E+10 0.00
1.745E+04
C12OOH4-OO3-2 = C12KET4-3-2 + OH 1.000E+11 0.00
2.345E+04
C12OOH4-OO5-2 = C12KET4-5-2 + OH 1.000E+11 0.00
2.345E+04
C12OOH4-OO6-2 = C12KET4-6-2 + OH 1.250E+10 0.00
1.745E+04
C12OOH4-OO7-2 = C12KET4-7-2 + OH 1.56E+09 0.00
1.565E+04
C12OOH4-OO8-2 = C12KET4-8-2 + OH 1.96E+08 0.00
1.865E+04
C12OOH5-OO1-2 = C12KET5-1-2 + OH 1.96E+08 0.00
1.865E+04
C12OOH5-OO2-2 = C12KET5-2-2 + OH 1.56E+09 0.00
1.565E+04
C12OOH5-OO3-2 = C12KET5-3-2 + OH 1.250E+10 0.00
1.745E+04
C12OOH5-OO4-2 = C12KET5-4-2 + OH 1.000E+11 0.00
2.345E+04
C12OOH5-OO6-2 = C12KET5-6-2 + OH 1.000E+11 0.00
2.345E+04
C12OOH5-OO7-2 = C12KET5-7-2 + OH 1.250E+10 0.00
1.745E+04
C12OOH5-OO8-2 = C12KET5-8-2 + OH 1.56E+09 0.00
1.565E+04
C12OOH5-OO9-2 = C12KET5-9-2 + OH 1.96E+08 0.00
1.865E+04
C12OOH6-OO2-2 = C12KET6-2-2 + OH 1.96E+08 0.00
1.865E+04
C12OOH6-OO3-2 = C12KET6-3-2 + OH 1.56E+09 0.00
1.565E+04
C12OOH6-OO4-2 = C12KET6-4-2 + OH 1.250E+10 0.00
1.745E+04
C12OOH6-OO5-2 = C12KET6-5-2 + OH 1.000E+11 0.00
2.345E+04
C12OOH6-OO7-2 = C12KET6-7-2 + OH 1.000E+11 0.00
2.345E+04
C12OOH6-OO8-2 = C12KET6-8-2 + OH 1.250E+10 0.00
1.745E+04
C12OOH6-OO9-2 = C12KET6-9-2 + OH 1.56E+09 0.00
1.565E+04
C12OOH6OO10-2 = C12KET6-10-2 + OH 1.96E+08 0.00
1.865E+04
C12OOH7-OO3-2 = C12KET7-3-2 + OH 1.96E+08 0.00
1.865E+04
C12OOH7-OO4-2 = C12KET7-4-2 + OH 1.56E+09 0.00
1.565E+04
C12OOH7-OO5-2 = C12KET7-5-2 + OH 1.250E+10 0.00
1.745E+04
C12OOH7-OO6-2 = C12KET7-6-2 + OH 1.000E+11 0.00
2.345E+04
C12OOH7-OO8-2 = C12KET7-8-2 + OH 1.000E+11 0.00
2.345E+04
C12OOH7-OO9-2 = C12KET7-9-2 + OH 1.250E+10 0.00
1.745E+04
C12OOH7OO10-2 = C12KET7-10-2 + OH 1.56E+09 0.00
1.565E+04
C12OOH7OO11-2 = C12KET7-11-2 + OH 1.96E+08 0.00
1.865E+04
C12OOH8-OO4-2 = C12KET8-4-2 + OH 1.96E+08 0.00
1.865E+04
C12OOH8-OO5-2 = C12KET8-5-2 + OH 1.56E+09 0.00
1.565E+04
C12OOH8-OO6-2 = C12KET8-6-2 + OH 1.250E+10 0.00
1.745E+04
C12OOH8-OO7-2 = C12KET8-7-2 + OH 1.000E+11 0.00
2.345E+04
C12OOH8-OO9-2 = C12KET8-9-2 + OH 1.000E+11 0.00
2.345E+04
C12OOH8OO10-2 = C12KET8-10-2 + OH 1.250E+10 0.00
1.745E+04
C12OOH8OO11-2 = C12KET8-11-2 + OH 1.56E+09 0.00
1.565E+04
C12OOH9-OO5-2 = C12KET9-5-2 + OH 1.96E+08 0.00
1.865E+04
C12OOH9-OO6-2 = C12KET9-6-2 + OH 1.56E+09 0.00
1.565E+04
C12OOH9-OO7-2 = C12KET9-7-2 + OH 1.250E+10 0.00
1.745E+04
C12OOH9-OO8-2 = C12KET9-8-2 + OH 1.000E+11 0.00
2.345E+04
C12OOH9OO10-2 = C12KET9-10-2 + OH 1.000E+11 0.00
2.345E+04
C12OOH9OO11-2 = C12KET9-11-2 + OH 1.250E+10 0.00
1.745E+04
C12OOH10OO6-2 = C12KET10-6-2 + OH 1.96E+08 0.00
1.865E+04
C12OOH10OO7-2 = C12KET10-7-2 + OH 1.56E+09 0.00
1.565E+04
C12OOH10OO8-2 = C12KET10-8-2 + OH 1.250E+10 0.00
1.745E+04
C12OOH10OO9-2 = C12KET10-9-2 + OH 1.000E+11 0.00
2.345E+04
C12OOH10OO11-2 = C12KET10-11-2 + OH 1.000E+11 0.00
2.345E+04
C12OOH11OO7-2 = C12KET11-7-2 + OH 3.906E+08 0.00
2.215E+04
C12OOH11OO8-2 = C12KET11-8-2 + OH 3.125E+09 0.00
1.895E+04
C12OOH11OO9-2 = C12KET11-9-2 + OH 2.500E+10 0.00
2.100E+04
C12OOH11OO10-2 = C12KET11-10-2 + OH 2.00E+11 0.00
2.600E+04
!
!
!
!
!
!
!
!
!
! 2-METHYLHEXANE
!
!
!
!
!
!
!
!
!
!
! CLASS 28 KETOHYDROPEROXIDE DECOMPOSITION
!
!
!
!
!
!
!
C7KET1-1-2 = CH2O + C2H3CHO + OH + NC3H7
1.000E+16 0.00 3.900E+04
REV / 0.00 0 0 /
C7KET1-2-2 = CH3CO + HCO + OH + PC4H9
1.000E+16 0.00 3.900E+04
REV / 0.00 0 0 /
C7KET1-3-2 = CH3CHCHO + OH + NC3H7CHO 1.000E+16
0.00 3.900E+04
REV / 0.00 0 0 /
C7KET1-4-2 = IC3H6CHO + OH + C2H5CHO 1.000E+16
0.00 3.900E+04
REV / 0.00 0 0 /
C7KET1-5-2 = C4H8CHO4-2 + OH + CH3CHO
1.000E+16 0.00 3.900E+04
REV / 0.00 0 0 /
C7KET3-1-2 = CH2O + NC3H7COC2H4S + OH
1.000E+16 0.00 3.900E+04
REV / 0.00 0 0 /
C7KET3-2-2 = CH3COCH3 + OH + NC3H7CO 1.000E+16
0.00 3.900E+04
REV / 0.00 0 0 /
C7KET3-4-2 = C2H5CHO + OH + IC3H7CO 1.000E+16
0.00 3.900E+04
REV / 0.00 0 0 /
C7KET3-5-2 = IC3H7COCH2 + OH + CH3CHO
1.000E+16 0.00 3.900E+04
REV / 0.00 0 0 /
C7KET3-6-2 = IC3H7COC2H4P + OH + CH2O
1.000E+16 0.00 3.900E+04
REV / 0.00 0 0 /
C7KET4-1-2 = CH2O + OH + C3H6 + C2H5CO
1.000E+16 0.00 3.900E+04
REV / 0.00 0 0 /
C7KET4-2-2 = CH3COCH3 + OH + C2H5COCH2
1.000E+16 0.00 3.900E+04
REV / 0.00 0 0 /
C7KET4-3-2 = IC3H7CHO + OH + C2H5CO 1.000E+16
0.00 3.900E+04
REV / 0.00 0 0 /
C7KET4-5-2 = IC4H9CO + OH + CH3CHO 1.000E+16
0.00 3.900E+04
REV / 0.00 0 0 /
C7KET4-6-2 = IC4H9COCH2 + OH + CH2O 1.000E+16
0.00 3.900E+04
REV / 0.00 0 0 /
C7KET5-1-2 = CH2O + OH + C3H6 + CH3COCH2
1.000E+16 0.00 3.900E+04
REV / 0.00 0 0 /
C7KET5-2-2 = CH3COCH3 + OH + CH2CH2COCH3
1.000E+16 0.00 3.900E+04
REV / 0.00 0 0 /
C7KET5-3-2 = IC3H7CHO + OH + CH3COCH2
1.000E+16 0.00 3.900E+04
REV / 0.00 0 0 /
C7KET5-4-2 = IC4H9CHO + OH + CH3CO 1.000E+16
0.00 3.900E+04
REV / 0.00 0 0 /
C7KET5-6-2 = IC5H11CO + OH + CH2O 1.000E+16
0.00 3.900E+04
REV / 0.00 0 0 /
C7KET6-2-2 = CH3COCH3 + OH + C3H6CHO-1
1.000E+16 0.00 3.900E+04
REV / 0.00 0 0 /
C7KET6-3-2 = IC3H7CHO + OH + CH2CH2CHO
1.000E+16 0.00 3.900E+04
REV / 0.00 0 0 /
C7KET6-4-2 = IC4H9CHO + OH + CH2CHO 1.000E+16
0.00 3.900E+04
REV / 0.00 0 0 /
C7KET6-5-2 = IC5H11CHO + OH + HCO 1.000E+16
0.00 3.900E+04
REV / 0.00 0 0 /
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
! 2-METHYLHEPTANE
!
!
!
!
!
!
!
!
!
!
! CLASS 28 KETOHYDROPEROXIDE DECOMPOSITION
!
!
!
!
!
!
!
C8KET1-1-2 = CH2O + C2H3CHO + OH + PC4H9
1.000E+16 0.00 3.900E+04
REV / 0.00 0 0 /
C8KET1-2-2 = CH3CO + HCO + OH + C5H11-1
1.000E+16 0.00 3.900E+04
REV / 0.00 0 0 /
C8KET1-3-2 = CH3CHCHO + OH + NC4H9CHO 1.000E+16
0.00 3.900E+04
REV / 0.00 0 0 /
C8KET1-4-2 = IC3H6CHO + OH + NC3H7CHO 1.000E+16
0.00 3.900E+04
REV / 0.00 0 0 /
C8KET1-5-2 = C4H8CHO4-2 + OH + C2H5CHO
1.000E+16 0.00 3.900E+04
REV / 0.00 0 0 /
C8KET3-1-2 = CH2O + OH + NC4H9COC2H4P
1.000E+16 0.00 3.900E+04
REV / 0.00 0 0 /
C8KET3-2-2 = CH3COCH3 + OH + NC4H9CO 1.000E+16
0.00 3.900E+04
REV / 0.00 0 0 /
C8KET3-4-2 = C2H5CHO + OH + IC4H9CO 1.000E+16
0.00 3.900E+04
REV / 0.00 0 0 /
C8KET3-5-2 = IC3H7COCH2 + OH + C2H5CHO
1.000E+16 0.00 3.900E+04
REV / 0.00 0 0 /
C8KET3-6-2 = IC3H7COC2H4P + OH + CH3CHO
1.000E+16 0.00 3.900E+04
REV / 0.00 0 0 /
C8KET3-7-2 = IC3H7COC3H6P + OH + CH2O
1.000E+16 0.00 3.900E+04
REV / 0.00 0 0 /
C8KET4-1-2 = CH2O + OH + C3H6 + NC3H7CO
1.000E+16 0.00 3.900E+04
REV / 0.00 0 0 /
C8KET4-2-2 = CH3COCH3 + OH + NC3H7COCH2
1.000E+16 0.00 3.900E+04
REV / 0.00 0 47410 /
C8KET4-3-2 = IC3H7CHO + OH + NC3H7CO
1.000E+16 0.00 3.900E+04
REV / 0.00 0 0 /
C8KET4-5-2 = IC4H9CO + OH + C2H5CHO 1.000E+16
0.00 3.900E+04
REV / 0.00 0 0 /
C8KET4-6-2 = IC4H9COCH2 + OH + CH3CHO
1.000E+16 0.00 3.900E+04
REV / 0.00 0 0 /
C8KET4-7-2 = IC4H9COC2H4P + OH + CH2O
1.000E+16 0.00 3.900E+04
REV / 0.00 0 0 /
C8KET5-1-2 = CH2O + OH + C3H6 + C2H5COCH2
1.000E+16 0.00 3.900E+04
REV / 0.00 0 0 /
C8KET5-2-2 = CH3COCH3 + OH + C2H5COC2H4P
1.000E+16 0.00 3.900E+04
REV / 0.00 0 0 /
C8KET5-3-2 = IC3H7CHO + OH + C2H5COCH2
1.000E+16 0.00 3.900E+04
REV / 0.00 0 0 /
C8KET5-4-2 = IC4H9CHO + OH + C2H5CO 1.000E+16
0.00 3.900E+04
REV / 0.00 0 0 /
C8KET5-6-2 = IC5H11CO + OH + CH3CHO 1.000E+16
0.00 3.900E+04
REV / 0.00 0 0 /
C8KET5-7-2 = IC5H11COCH2 + OH + CH2O 1.000E+16
0.00 3.900E+04
REV / 0.00 0 0 /
C8KET6-2-2 = CH3COCH3 + OH + C3H6COCH3-1
1.000E+16 0.00 3.900E+04
REV / 0.00 0 0 /
C8KET6-3-2 = IC3H7CHO + OH + CH2CH2COCH3
1.000E+16 0.00 3.900E+04
REV / 0.00 0 0 /
C8KET6-4-2 = IC4H9CHO + OH + CH3COCH2
1.000E+16 0.00 3.900E+04
REV / 0.00 0 0 /
C8KET6-5-2 = IC5H11CHO + OH + CH3CO 1.000E+16
0.00 3.900E+04
REV / 0.00 0 0 /
C8KET6-7-2 = IC6H13CO + OH + CH2O 1.000E+16
0.00 3.900E+04
REV / 0.00 0 0 /
C8KET7-3-2 = IC3H7CHO + OH + C3H6CHO-1
1.000E+16 0.00 3.900E+04
REV / 0.00 0 0 /
C8KET7-4-2 = IC4H9CHO + OH + CH2CH2CHO
1.000E+16 0.00 3.900E+04
REV / 0.00 0 0 /
C8KET7-5-2 = IC5H11CHO + OH + CH2CHO 1.000E+16
0.00 3.900E+04
REV / 0.00 0 0 /
!
!
!
!
!
!
!
!
! 2-METHYOCTANE
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
!
! CLASS 28 KETOHYDROPEROXIDE DECOMPOSITION
!
!
!
!
!
!
!
C9KET1-1-2 = CH2O + C2H3CHO + OH + C5H11-1
1.000E+16 0.00 3.900E+04
REV / 0.00 0 0 /
!
!
!
!
!
!
!
!
!
!
!
!
! CLASS 28 KETOHYDROPEROXIDE DECOMPOSITION
!
!
!
!
!
!
!
!
!
C10KET1-1-2 = CH2O + C2H3CHO + OH + C6H13-1
1.000E+16 0.00 3.900E+04
REV / 0.00 0 0 /
C10KET1-2-2 = CH3CO + HCO + OH + C7H15-1
1.000E+16 0.00 3.900E+04
REV / 0.00 0 0 /
!
C7H14O2-3-2 + HO2 = NC3H7CHO + C3H5-T + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C7H14O2-3-2 + HO2 = NC3H7 + IC3H6CO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C7H14O2-4-2 + HO2 = C2H5CHO + IC4H7 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C7H14O2-4-2 + HO2 = C2H5CO + IC4H8 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C7H14O2-5-2 + HO2 = CH3CHO + IC5H9 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C7H14O2-5-2 + HO2 = CH3COCH2 + IC4H8 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C7H14O2-6-2 + HO2 = CH2O + IC6H11 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C7H14O2-6-2 + HO2 = CH2CH2CHO + IC4H8 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
C7H14O3-4-2 + HO2 = CH3 + IC3H7COC2H3 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C7H14O3-4-2 + HO2 = C2H5 + IC3H7CHCO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C7H14O3-5-2 + HO2 = C3H6 + IC3H7CO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C7H14O3-5-2 + HO2 = CH3CO + CC5H10 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C7H14O3-6-2 + HO2 = C2H4 + IC3H7COCH2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C7H14O3-6-2 + HO2 = CH2CHO + CC5H10 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
C7H14O4-5-2 + HO2 = CH3CHCO + IC4H9 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C7H14O4-5-2 + HO2 = C2H3COCH3 + IC3H7 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C7H14O4-6-2 + HO2 = C2H4 + IC4H9CO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C7H14O4-6-2 + HO2 = HCO + DC6H12 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
C7H14O5-6-2 + HO2 = CH2CO + DC5H11 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C7H14O5-6-2 + HO2 = C2H3CHO + IC4H9 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
! 2-METHYLHEPTANE
! CLASS 29 CYCLIC ETHER (QO) REACTIONS WITH OH AND HO2
! QO + OH = H2O + PRODUCTS
! QO + HO2 = H2O2 + PRODUCTS
!
C8H16O1-1-2 + HO2 = C7H14-1 + HCO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C8H16O1-1-2 + HO2 = C7H131-7 + CH2O + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0.00E+00 /
C8H16O1-2-2 + HO2 = C7H131-7 + CH2O + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0.00E+00 /
C8H16O1-2-2 + HO2 = PC4H9 + IC3H5CHO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0.00E+00 /
C8H16O1-3-2 + HO2 = C7H14-2 + HCO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0.00E+00 /
C8H16O1-3-2 + HO2 = NC4H9CO + C3H6 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0.00E+00 /
C8H16O1-4-2 + HO2 = C5H10-1 + CH3CHCHO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0.00E+00 /
C8H16O1-4-2 + HO2 = NC3H7COCH2 + C3H6 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0.00E+00 /
C8H16O1-5-2 + HO2 = C4H8-1 + IC3H6CHO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C8H16O1-5-2 + HO2 = C2H5COC2H4P + C3H6 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
C8H16O2-3-2 + HO2 = NC4H9CHO + C3H5-T + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C8H16O2-3-2 + HO2 = PC4H9+ IC3H6CO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C8H16O2-4-2 + HO2 = NC3H7CHO + IC4H7 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C8H16O2-4-2 + HO2 = NC3H7CO + IC4H8 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C8H16O2-5-2 + HO2 = C2H5CHO + IC5H9 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C8H16O2-5-2 + HO2 = C2H5COCH2 + IC4H8 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C8H16O2-6-2 + HO2 = CH3CHO + IC6H11 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C8H16O2-6-2 + HO2 = CH2CH2COCH3 + IC4H8 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
C8H16O3-4-2 + HO2 = C2H5 + IC3H7COC2H3 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C8H16O3-4-2 + HO2 = NC3H7 + IC3H7CHCO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C8H16O3-5-2 + HO2 = C4H8-1 + IC3H7CO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C8H16O3-5-2 + HO2 = C2H5CO + CC5H10 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C8H16O3-6-2 + HO2 = C3H6 + IC3H7COCH2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C8H16O3-6-2 + HO2 = CH3COCH2 + CC5H10 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C8H16O3-7-2 + HO2 = C2H4 + IC3H7COC2H4P + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C8H16O3-7-2 + HO2 = CH2CH2CHO + CC5H10 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
C8H16O4-5-2 + HO2 = C2H5CHCO + IC4H9 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0
/
C8H16O4-5-2 + HO2 = C2H5COC2H3 + IC3H7 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C8H16O4-6-2 + HO2 = C3H6 + IC4H9CO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C8H16O4-6-2 + HO2 = CH3CO + DC6H12 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C8H16O4-7-2 + HO2 = CH2CHO + DC6H12 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C8H16O4-7-2 + HO2 = C2H4 + IC4H9COCH2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
C8H16O5-6-2 + HO2 = CH3CHCO + DC5H11 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C8H16O5-6-2 + HO2 = C2H3COCH3 + IC4H9 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C8H16O5-7-2 + HO2 = HCO + C7H14-5-2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C8H16O5-7-2 + HO2 = C2H4 + IC5H11CO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
C8H16O6-7-2 + HO2 = C2H3CHO + DC5H11 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C8H16O6-7-2 + HO2 = CH2CO + EC6H13 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
!
!
!
!
!
!
!
!
!
!
!
!
! 2-METHYLOCTANE
! CLASS 29 CYCLIC ETHER (QO) REACTIONS WITH OH AND HO2
! QO + OH = H2O + PRODUCTS
! QO + HO2 = H2O2 + PRODUCTS
!
!
C9H18O1-1-2 + HO2 = C8H16-1 + HCO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C9H18O1-1-2 + HO2 = C8H15 + CH2O + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C9H18O1-2-2 + HO2 = C8H15 + CH2O + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C9H18O1-2-2 + HO2 = C5H11-1 + IC3H5CHO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C9H18O1-3-2 + HO2 = C8H16-2 + HCO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C9H18O1-3-2 + HO2 = NC5H11CO + C3H6 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C9H18O1-4-2 + HO2 = C6H12-1 + CH3CHCHO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C9H18O1-4-2 + HO2 = NC4H9COCH2 + C3H6 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C9H18O1-5-2 + HO2 = C5H10-1 + IC3H6CHO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C9H18O1-5-2 + HO2 = NC3H7COC2H4P + C3H6 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
C9H18O2-3-2 + HO2 = NC5H11CHO + C3H5-T + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C9H18O2-3-2 + HO2 = C5H11-1 + IC3H6CO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C9H18O2-4-2 + HO2 = NC4H9CHO + IC4H7 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C9H18O2-4-2 + HO2 = NC4H9CO + IC4H8 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C9H18O2-5-2 + HO2 = NC3H7CHO + IC5H9 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C9H18O2-5-2 + HO2 = NC3H7COCH2 + IC4H8 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C9H18O2-6-2 + HO2 = C2H5CHO + IC6H11 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C9H18O2-6-2 + HO2 = C2H5COC2H4P + IC4H8 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
C9H18O3-4-2 + HO2 = NC3H7 + IC3H7COC2H3 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C9H18O3-4-2 + HO2 = PC4H9+ IC3H7CHCO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C9H18O3-5-2 + HO2 = C5H10-1 + IC3H7CO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C9H18O3-5-2 + HO2 = NC3H7CO + CC5H10 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C9H18O3-6-2 + HO2 = C4H8-1 + IC3H7COCH2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C9H18O3-6-2 + HO2 = C2H5COCH2 + CC5H10 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C9H18O3-7-2 + HO2 = C3H6 + IC3H7COC2H4P + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C9H18O3-7-2 + HO2 = CH2CH2COCH3 + CC5H10 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
C9H18O4-5-2 + HO2 = NC3H7CHCO + IC4H9 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C9H18O4-5-2 + HO2 = NC3H7COC2H3 + IC3H7 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C9H18O4-6-2 + HO2 = C4H8-1 + IC4H9CO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C9H18O4-6-2 + HO2 = C2H5CO + DC6H12 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C9H18O4-7-2 + HO2 = CH3COCH2 + DC6H12 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C9H18O4-7-2 + HO2 = C3H6 + IC4H9COCH2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C9H18O4-8-2 + HO2 = C2H4 + IC4H9COC2H4P + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C9H18O4-8-2 + HO2 = CH2CH2CHO + DC6H12 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
C9H18O5-6-2 + HO2 = C2H5CHCO + DC5H11 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0
/
C9H18O5-6-2 + HO2 = C2H5COC2H3 + IC4H9 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C9H18O5-7-2 + HO2 = CH3CO + C7H14-5-2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C9H18O5-7-2 + HO2 = C3H6 + IC5H11CO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C9H18O5-8-2 + HO2 = CH2CHO + C7H14-5-2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C9H18O5-8-2 + HO2 = C2H4 + IC5H11COCH2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
C9H18O6-7-2 + HO2 = C2H3COCH3 + DC5H11 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C9H18O6-7-2 + HO2 = CH3CHCO + EC6H13 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C9H18O6-8-2 + HO2 = HCO + C8H16-6-2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C9H18O6-8-2 + HO2 = C2H4 + IC6H13CO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
C9H18O7-8-2 + HO2 = C2H3CHO + EC6H13 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C9H18O7-8-2 + HO2 = CH2CO + C7H15-2F + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
!
!
!
! 2-METHYLNONANE
! CLASS 29 CYCLIC ETHER (QO) REACTIONS WITH OH AND HO2
! QO + OH = H2O + PRODUCTS
! QO + HO2 = H2O2 + PRODUCTS
!
C10H20O1-1-2 + HO2 = C9H18-1 + HCO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O1-1-2 + HO2 = C9H17 + CH2O + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O1-2-2 + HO2 = C9H17 + CH2O + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O1-2-2 + HO2 = C6H13-1 + IC3H5CHO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O1-3-2 + HO2 = C9H18-2 + HCO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O1-3-2 + HO2 = NC6H13CO + C3H6 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O1-4-2 + HO2 = C7H14-1 + CH3CHCHO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O1-4-2 + HO2 = NC5H11COCH2 + C3H6 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O1-5-2 + HO2 = C6H12-1 + IC3H6CHO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O1-5-2 + HO2 = NC4H9COC2H4P + C3H6 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
C10H20O2-3-2 + HO2 = NC6H13CHO + C3H5-T + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O2-3-2 + HO2 = C6H13-1 + IC3H6CO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O2-4-2 + HO2 = NC5H11CHO + IC4H7 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O2-4-2 + HO2 = NC5H11CO + IC4H8 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O2-5-2 + HO2 = NC4H9CHO + IC5H9 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O2-5-2 + HO2 = NC4H9COCH2 + IC4H8 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O2-6-2 + HO2 = NC3H7CHO + IC6H11 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O2-6-2 + HO2 = NC3H7COC2H4P + IC4H8 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
C10H20O3-4-2 + HO2 = PC4H9 + IC3H7COC2H3 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O3-4-2 + HO2 = C5H11-1 + IC3H7CHCO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O3-5-2 + HO2 = C6H12-1 + IC3H7CO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O3-5-2 + HO2 = NC4H9CO + CC5H10 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O3-6-2 + HO2 = C5H10-1 + IC3H7COCH2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O3-6-2 + HO2 = NC3H7COCH2 + CC5H10 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O3-7-2 + HO2 = C4H8-1 + IC3H7COC2H4P + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O3-7-2 + HO2 = C2H5COC2H4P + CC5H10 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
C10H20O4-5-2 + HO2 = NC4H9CHCO + IC4H9 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O4-5-2 + HO2 = NC4H9COC2H3 + IC3H7 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O4-6-2 + HO2 = C5H10-1 + IC4H9CO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O4-6-2 + HO2 = NC3H7CO + DC6H12 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O4-7-2 + HO2 = C2H5COCH2 + DC6H12 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O4-7-2 + HO2 = C4H8-1 + IC4H9COCH2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O4-8-2 + HO2 = C3H6 + IC4H9COC2H4P + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O4-8-2 + HO2 = CH2CH2COCH3 + DC6H12 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
C10H20O5-6-2 + HO2 = NC3H7CHCO + DC5H11 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O5-6-2 + HO2 = NC3H7COC2H3 + IC4H9 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O5-7-2 + HO2 = C2H5CO + C7H14-5-2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O5-7-2 + HO2 = C4H8-1 + IC5H11CO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O5-8-2 + HO2 = CH3COCH2 + C7H14-5-2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O5-8-2 + HO2 = C3H6 + IC5H11COCH2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O5-9-2 + HO2 = C2H4 + IC5H11COC2H4P + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O5-9-2 + HO2 = CH2CH2CHO + C7H14-5-2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
C10H20O6-7-2 + HO2 = C2H5COC2H3 + DC5H11 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O6-7-2 + HO2 = C2H5CHCO + EC6H13 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O6-8-2 + HO2 = CH3CO + C8H16-6-2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O6-8-2 + HO2 = C3H6 + IC6H13CO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O6-9-2 + HO2 = CH2CHO + C8H16-6-2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O6-9-2 + HO2 = C2H4 + IC6H13COCH2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
C10H20O7-8-2 + HO2 = C2H3COCH3 + EC6H13 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O7-8-2 + HO2 = CH3CHCO + C7H15-2F + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O7-9-2 + HO2 = HCO + C9H18-7-2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O7-9-2 + HO2 = C2H4 + IC7H15CO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
C10H20O8-9-2 + HO2 = C2H3CHO + C7H15-2F + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C10H20O8-9-2 + HO2 = CH2CO + C8H17-2G + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
!
! 2-METHYLDECANE
! CLASS 29 CYCLIC ETHER (QO) REACTIONS WITH OH AND HO2
! QO + OH = H2O + PRODUCTS
! QO + HO2 = H2O2 + PRODUCTS
!
C11H22O1-1-2 + HO2 = C10H20-1 + HCO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O1-1-2 + HO2 = C10H19 + CH2O + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O1-2-2 + HO2 = C10H19 + CH2O + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O1-2-2 + HO2 = C7H15-1 + IC3H5CHO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O1-3-2 + HO2 = C10H20-2 + HCO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O1-3-2 + HO2 = NC7H15CO + C3H6 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O1-4-2 + HO2 = C8H16-1 + CH3CHCHO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O1-4-2 + HO2 = NC6H13COCH2 + C3H6 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O1-5-2 + HO2 = C7H14-1 + IC3H6CHO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O1-5-2 + HO2 = NC5H11COC2H4P + C3H6 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
C11H22O2-3-2 + HO2 = NC7H15CHO + C3H5-T + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O2-3-2 + HO2 = C7H15-1 + IC3H6CO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O2-4-2 + HO2 = NC6H13CHO + IC4H7 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O2-4-2 + HO2 = NC6H13CO + IC4H8 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O2-5-2 + HO2 = NC5H11CHO + IC5H9 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O2-5-2 + HO2 = NC5H11COCH2 + IC4H8 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O2-6-2 + HO2 = NC4H9CHO + IC6H11 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O2-6-2 + HO2 = NC4H9COC2H4P + IC4H8 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
C11H22O3-4-2 + HO2 = C5H11-1 + IC3H7COC2H3 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O3-4-2 + HO2 = C6H13-1 + IC3H7CHCO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O3-5-2 + HO2 = C7H14-1 + IC3H7CO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O3-5-2 + HO2 = NC5H11CO + CC5H10 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O3-6-2 + HO2 = C6H12-1 + IC3H7COCH2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O3-6-2 + HO2 = NC4H9COCH2 + CC5H10 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O3-7-2 + HO2 = C5H10-1 + IC3H7COC2H4P + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O3-7-2 + HO2 = NC3H7COC2H4P + CC5H10 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
C11H22O4-5-2 + HO2 = NC5H11CHCO + IC4H9 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O4-5-2 + HO2 = NC5H11COC2H3 + IC3H7 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O4-6-2 + HO2 = C6H12-1 + IC4H9CO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O4-6-2 + HO2 = NC4H9CO + DC6H12 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O4-7-2 + HO2 = NC3H7COCH2 + DC6H12 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O4-7-2 + HO2 = C5H10-1 + IC4H9COCH2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O4-8-2 + HO2 = C4H8-1 + IC4H9COC2H4P + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O4-8-2 + HO2 = C2H5COC2H4P + DC6H12 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
C11H22O5-6-2 + HO2 = NC4H9CHCO + DC5H11 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O5-6-2 + HO2 = NC4H9COC2H3 + IC4H9 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O5-7-2 + HO2 = NC3H7CO + C7H14-5-2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O5-7-2 + HO2 = C5H10-1 + IC5H11CO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O5-8-2 + HO2 = C2H5COCH2 + C7H14-5-2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O5-8-2 + HO2 = C4H8-1 + IC5H11COCH2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O5-9-2 + HO2 = C3H6 + IC5H11COC2H4P + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O5-9-2 + HO2 = CH2CH2COCH3 + C7H14-5-2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
C11H22O6-7-2 + HO2 = NC3H7COC2H3 + DC5H11 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O6-7-2 + HO2 = NC3H7CHCO + EC6H13 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O6-8-2 + HO2 = C2H5CO + C8H16-6-2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O6-8-2 + HO2 = C4H8-1 + IC6H13CO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O6-9-2 + HO2 = CH3COCH2 + C8H16-6-2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O6-9-2 + HO2 = C3H6 + IC6H13COCH2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O6-10-2 + HO2 = C2H4 + IC6H13COC2H4P + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O6-10-2 + HO2 = CH2CH2CHO + C8H16-6-2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
C11H22O7-8-2 + HO2 = C2H5COC2H3 + EC6H13 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O7-8-2 + HO2 = C2H5CHCO + C7H15-2F + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O7-9-2 + HO2 = CH3CO + C9H18-7-2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O7-9-2 + HO2 = C3H6 + IC7H15CO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O7-10-2 + HO2 = CH2CHO + C9H18-7-2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O7-10-2 + HO2 = C2H4 + IC7H15COCH2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
C11H22O8-9-2 + HO2 = C2H3COCH3 + C7H15-2F + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O8-9-2 + HO2 = CH3CHCO + C8H17-2G + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O8-10-2 + HO2 = HCO + C10H20-8-2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O8-10-2 + HO2 = C2H4 + IC8H17CO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
C11H22O9-10-2 + HO2 = C2H3CHO + C8H17-2G + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C11H22O9-10-2 + HO2 = CH2CO + C9H19-2H + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
!
!
!
!
!
!
!
! 2-METHYLUNDECANE
! CLASS 29 CYCLIC ETHER (QO) REACTIONS WITH OH AND HO2
! QO + OH = H2O + PRODUCTS
! QO + HO2 = H2O2 + PRODUCTS
!
C12H24O1-1-2 + HO2 = C11H22-1 + HCO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O1-1-2 + HO2 = C11H21 + CH2O + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O1-2-2 + HO2 = C11H21 + CH2O + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O1-2-2 + HO2 = C8H17-1 + IC3H5CHO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O1-3-2 + HO2 = C11H22-2 + HCO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O1-3-2 + HO2 = NC8H17CO + C3H6 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O1-4-2 + HO2 = C9H18-1 + CH3CHCHO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O1-4-2 + HO2 = NC7H15COCH2 + C3H6 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O1-5-2 + HO2 = C8H16-1 + IC3H6CHO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O1-5-2 + HO2 = NC6H13COC2H4P + C3H6 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
C12H24O2-3-2 + HO2 = NC8H17CHO + C3H5-T + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O2-3-2 + HO2 = C8H17-1 + IC3H6CO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O2-4-2 + HO2 = NC7H15CHO + IC4H7 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O2-4-2 + HO2 = NC7H15CO + IC4H8 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O2-5-2 + HO2 = NC6H13CHO + IC5H9 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O2-5-2 + HO2 = NC6H13COCH2 + IC4H8 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O2-6-2 + HO2 = NC5H11CHO + IC6H11 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O2-6-2 + HO2 = NC5H11COC2H4P + IC4H8 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
C12H24O3-4-2 + HO2 = C6H13-1 + IC3H7COC2H3 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O3-4-2 + HO2 = C7H15-1 + IC3H7CHCO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O3-5-2 + HO2 = C8H16-1 + IC3H7CO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O3-5-2 + HO2 = NC6H13CO + CC5H10 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O3-6-2 + HO2 = C7H14-1 + IC3H7COCH2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O3-6-2 + HO2 = NC5H11COCH2 + CC5H10 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O3-7-2 + HO2 = C6H12-1 + IC3H7COC2H4P + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O3-7-2 + HO2 = NC4H9COC2H4P + CC5H10 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
C12H24O4-5-2 + HO2 = NC6H13CHCO + IC4H9 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O4-5-2 + HO2 = NC6H13COC2H3 + IC3H7 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O4-6-2 + HO2 = C7H14-1 + IC4H9CO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O4-6-2 + HO2 = NC5H11CO + DC6H12 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O4-7-2 + HO2 = NC4H9COCH2 + DC6H12 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O4-7-2 + HO2 = C6H12-1 + IC4H9COCH2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O4-8-2 + HO2 = C5H10-1 + IC4H9COC2H4P + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O4-8-2 + HO2 = NC3H7COC2H4P + DC6H12 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
C12H24O5-6-2 + HO2 = NC5H11CHCO + DC5H11 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O5-6-2 + HO2 = NC5H11COC2H3 + IC4H9 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O5-7-2 + HO2 = NC4H9CO + C7H14-5-2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O5-7-2 + HO2 = C6H12-1 + IC5H11CO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O5-8-2 + HO2 = NC3H7COCH2 + C7H14-5-2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O5-8-2 + HO2 = C5H10-1 + IC5H11COCH2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O5-9-2 + HO2 = C4H8-1 + IC5H11COC2H4P + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O5-9-2 + HO2 = C2H5COC2H4P + C7H14-5-2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
C12H24O6-7-2 + HO2 = NC4H9COC2H3 + DC5H11 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O6-7-2 + HO2 = NC4H9CHCO + EC6H13 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O6-8-2 + HO2 = NC3H7CO + C8H16-6-2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O6-8-2 + HO2 = C5H10-1 + IC6H13CO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O6-9-2 + HO2 = C2H5COCH2 + C8H16-6-2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O6-9-2 + HO2 = C4H8-1 + IC6H13COCH2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O6-10-2 + HO2 = C3H6 + IC6H13COC2H4P + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O6-10-2 + HO2 = CH2CH2COCH3 + C8H16-6-2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
C12H24O7-8-2 + HO2 = NC3H7COC2H3 + EC6H13 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O7-8-2 + HO2 = NC3H7CHCO + C7H15-2F + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O7-9-2 + HO2 = C2H5CO + C9H18-7-2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O7-9-2 + HO2 = C4H8-1 + IC7H15CO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O7-10-2 + HO2 = CH3COCH2 + C9H18-7-2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O7-10-2 + HO2 = C3H6 + IC7H15COCH2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O7-11-2 + HO2 = C2H4 + IC7H15COC2H4P + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O7-11-2 + HO2 = CH2CH2CHO + C9H18-7-2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
C12H24O8-9-2 + HO2 = C2H5COC2H3 + C7H15-2F + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O8-9-2 + HO2 = C2H5CHCO + C8H17-2G + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O8-10-2 + HO2 = CH3CO + C10H20-8-2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O8-10-2 + HO2 = C3H6 + IC8H17CO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O8-11-2 + HO2 = CH2CHO + C10H20-8-2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O8-11-2 + HO2 = C2H4 + IC8H17COCH2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
C12H24O9-10-2 + HO2 = C2H3COCH3 + C8H17-2G + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O9-10-2 + HO2 = CH3CHCO + C9H19-2H + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O9-11-2 + HO2 = HCO + C11H22-9-2 + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O9-11-2 + HO2 = C2H4 + IC9H19CO + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
C12H24O10-11-2 + HO2 = C2H3CHO + C9H19-2H + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
C12H24O10-11-2 + HO2 = CH2CO + C10H21-2I + H2O2 5.00E+12 0 17700
REV / 0.00E+00 0 0 /
!
!
!
!
!
!
! CLASS 30 MISCELLANEOUS REACTIONS
!
!
!
!
!
!
!
!
!
!
! LARGE ALDEHYDES
! SIMPLIFIED CONSUMPTION MECHANISMS FOR ALDEHYDES LARGER THAN NC5
!
!
!
!
!
C4H8CHO4-2 = C2H4+CH3CHCHO 1.031E+15 -0.62 2.317E+04
REV / 1.000E+11 0.00 7.800E+03 /
!
!
!
!
!
!
!
!
NC12H25CHO + O2 = NC12H25CO+HO2 2.000E+13 0.50 4.220E+04
REV / 1.000E+07 0.00 4.000E+04 /
NC12H25CHO + OH = NC12H25CO+H2O 2.690E+10 0.76 -3.400E+02
REV / 1.740E+10 0.76 3.120E+04 /
NC12H25CHO+H = NC12H25CO+H2 4.000E+13 0.00 4.200E+03
REV / 1.800E+13 0.00 2.400E+04 /
NC12H25CHO+O = NC12H25CO + OH 5.000E+12 0.00 1.790E+03
REV / 1.000E+12 0.00 1.900E+04 /
NC12H25CHO+HO2 = NC12H25CO+H2O2 2.800E+12 0.00 1.360E+04
REV / 1.000E+12 0.00 1.000E+04 /
NC12H25CHO+CH3 = NC12H25CO+CH4 1.700E+12 0.00 8.440E+03
REV / 1.500E+13 0.00 2.800E+04 /
NC12H25CHO+CH3O = NC12H25CO+CH3OH 1.150E+11 0.00 1.280E+03
REV / 3.000E+11 0.00 1.800E+04 /
NC12H25CHO+CH3O2 = NC12H25CO+CH3O2H 1.000E+12 0.00 9.500E+03
REV / 2.500E+10 0.00 1.000E+04 /
NC12H25CO = C12H25-1+CO 1.000E+11 0.00 9.600E+03
REV / 1.000E+11 0.00 0.000 /
!
NC11H23CHO + O2 = NC11H23CO+HO2 2.000E+13 0.50 4.220E+04
REV / 1.000E+07 0.00 4.000E+04 /
NC11H23CHO + OH = NC11H23CO+H2O 2.690E+10 0.76 -3.400E+02
REV / 1.740E+10 0.76 3.120E+04 /
NC11H23CHO+H = NC11H23CO+H2 4.000E+13 0.00 4.200E+03
REV / 1.800E+13 0.00 2.400E+04 /
NC11H23CHO+O = NC11H23CO + OH 5.000E+12 0.00 1.790E+03
REV / 1.000E+12 0.00 1.900E+04 /
NC11H23CHO+HO2 = NC11H23CO+H2O2 2.800E+12 0.00 1.360E+04
REV / 1.000E+12 0.00 1.000E+04 /
NC11H23CHO+CH3 = NC11H23CO+CH4 1.700E+12 0.00 8.440E+03
REV / 1.500E+13 0.00 2.800E+04 /
NC11H23CHO+CH3O = NC11H23CO+CH3OH 1.150E+11 0.00 1.280E+03
REV / 3.000E+11 0.00 1.800E+04 /
NC11H23CHO+CH3O2 = NC11H23CO+CH3O2H 1.000E+12 0.00 9.500E+03
REV / 2.500E+10 0.00 1.000E+04 /
NC11H23CO = C11H23-1+CO 1.000E+11 0.00 9.600E+03
REV / 1.000E+11 0.00 0.000 /
!
NC10H21CHO + O2 = NC10H21CO+HO2 2.000E+13 0.50 4.220E+04
REV / 1.000E+07 0.00 4.000E+04 /
NC10H21CHO + OH = NC10H21CO+H2O 2.690E+10 0.76 -3.400E+02
REV / 1.740E+10 0.76 3.120E+04 /
NC10H21CHO+H = NC10H21CO+H2 4.000E+13 0.00 4.200E+03
REV / 1.800E+13 0.00 2.400E+04 /
NC10H21CHO+O = NC10H21CO + OH 5.000E+12 0.00 1.790E+03
REV / 1.000E+12 0.00 1.900E+04 /
NC10H21CHO+HO2 = NC10H21CO+H2O2 2.800E+12 0.00 1.360E+04
REV / 1.000E+12 0.00 1.000E+04 /
NC10H21CHO+CH3 = NC10H21CO+CH4 1.700E+12 0.00 8.440E+03
REV / 1.500E+13 0.00 2.800E+04 /
NC10H21CHO+CH3O = NC10H21CO+CH3OH 1.150E+11 0.00 1.280E+03
REV / 3.000E+11 0.00 1.800E+04 /
NC10H21CHO+CH3O2 = NC10H21CO+CH3O2H 1.000E+12 0.00 9.500E+03
REV / 2.500E+10 0.00 1.000E+04 /
NC10H21CO = C10H21-1+CO 1.000E+11 0.00 9.600E+03
REV / 1.000E+11 0.00 0.000 /
!
NC9H19CHO + O2 = NC9H19CO+HO2 2.000E+13 0.50 4.220E+04
REV / 1.000E+07 0.00 4.000E+04 /
NC9H19CHO + OH = NC9H19CO+H2O 2.690E+10 0.76 -3.400E+02
REV / 1.740E+10 0.76 3.120E+04 /
NC9H19CHO+H = NC9H19CO+H2 4.000E+13 0.00 4.200E+03
REV / 1.800E+13 0.00 2.400E+04 /
NC9H19CHO+O = NC9H19CO + OH 5.000E+12 0.00 1.790E+03
REV / 1.000E+12 0.00 1.900E+04 /
NC9H19CHO+HO2 = NC9H19CO+H2O2 2.800E+12 0.00 1.360E+04
REV / 1.000E+12 0.00 1.000E+04 /
NC9H19CHO+CH3 = NC9H19CO+CH4 1.700E+12 0.00 8.440E+03
REV / 1.500E+13 0.00 2.800E+04 /
NC9H19CHO+CH3O = NC9H19CO+CH3OH 1.150E+11 0.00 1.280E+03
REV / 3.000E+11 0.00 1.800E+04 /
NC9H19CHO+CH3O2 = NC9H19CO+CH3O2H 1.000E+12 0.00 9.500E+03
REV / 2.500E+10 0.00 1.000E+04 /
NC9H19CO = C9H19-1+CO 1.000E+11 0.00 9.600E+03
REV / 1.000E+11 0.00 0.000 /
!
NC8H17CHO + O2 = NC8H17CO+HO2 2.000E+13 0.50 4.220E+04
REV / 1.000E+07 0.00 4.000E+04 /
NC8H17CHO + OH = NC8H17CO+H2O 2.690E+10 0.76 -3.400E+02
REV / 1.740E+10 0.76 3.120E+04 /
NC8H17CHO+H = NC8H17CO+H2 4.000E+13 0.00 4.200E+03
REV / 1.800E+13 0.00 2.400E+04 /
NC8H17CHO+O = NC8H17CO + OH 5.000E+12 0.00 1.790E+03
REV / 1.000E+12 0.00 1.900E+04 /
NC8H17CHO+HO2 = NC8H17CO+H2O2 2.800E+12 0.00 1.360E+04
REV / 1.000E+12 0.00 1.000E+04 /
NC8H17CHO+CH3 = NC8H17CO+CH4 1.700E+12 0.00 8.440E+03
REV / 1.500E+13 0.00 2.800E+04 /
NC8H17CHO+CH3O = NC8H17CO+CH3OH 1.150E+11 0.00 1.280E+03
REV / 3.000E+11 0.00 1.800E+04 /
NC8H17CHO+CH3O2 = NC8H17CO+CH3O2H 1.000E+12 0.00 9.500E+03
REV / 2.500E+10 0.00 1.000E+04 /
NC8H17CO = C8H17-1+CO 1.000E+11 0.00 9.600E+03
REV / 1.000E+11 0.00 0.000 /
!
NC7H15CHO + O2 = NC7H15CO+HO2 2.000E+13 0.50 4.220E+04
REV / 1.000E+07 0.00 4.000E+04 /
NC7H15CHO + OH = NC7H15CO+H2O 2.690E+10 0.76 -3.400E+02
REV / 1.740E+10 0.76 3.120E+04 /
NC7H15CHO+H = NC7H15CO+H2 4.000E+13 0.00 4.200E+03
REV / 1.800E+13 0.00 2.400E+04 /
NC7H15CHO+O = NC7H15CO + OH 5.000E+12 0.00 1.790E+03
REV / 1.000E+12 0.00 1.900E+04 /
NC7H15CHO+HO2 = NC7H15CO+H2O2 2.800E+12 0.00 1.360E+04
REV / 1.000E+12 0.00 1.000E+04 /
NC7H15CHO+CH3 = NC7H15CO+CH4 1.700E+12 0.00 8.440E+03
REV / 1.500E+13 0.00 2.800E+04 /
NC7H15CHO+CH3O = NC7H15CO+CH3OH 1.150E+11 0.00 1.280E+03
REV / 3.000E+11 0.00 1.800E+04 /
NC7H15CHO+CH3O2 = NC7H15CO+CH3O2H 1.000E+12 0.00 9.500E+03
REV / 2.500E+10 0.00 1.000E+04 /
NC7H15CO = C7H15-1+CO 1.000E+11 0.00 9.600E+03
REV / 1.000E+11 0.00 0.000 /
!
NC6H13CHO + O2 = NC6H13CO+HO2 2.000E+13 0.50 4.220E+04
REV / 1.000E+07 0.00 4.000E+04 /
NC6H13CHO + OH = NC6H13CO+H2O 2.690E+10 0.76 -3.400E+02
REV / 1.740E+10 0.76 3.120E+04 /
NC6H13CHO+H = NC6H13CO+H2 4.000E+13 0.00 4.200E+03
REV / 1.800E+13 0.00 2.400E+04 /
NC6H13CHO+O = NC6H13CO + OH 5.000E+12 0.00 1.790E+03
REV / 1.000E+12 0.00 1.900E+04 /
NC6H13CHO+HO2 = NC6H13CO+H2O2 2.800E+12 0.00 1.360E+04
REV / 1.000E+12 0.00 1.000E+04 /
NC6H13CHO+CH3 = NC6H13CO+CH4 1.700E+12 0.00 8.440E+03
REV / 1.500E+13 0.00 2.800E+04 /
NC6H13CHO+CH3O = NC6H13CO+CH3OH 1.150E+11 0.00 1.280E+03
REV / 3.000E+11 0.00 1.800E+04 /
NC6H13CHO+CH3O2 = NC6H13CO+CH3O2H 1.000E+12 0.00 9.500E+03
REV / 2.500E+10 0.00 1.000E+04 /
NC6H13CO = C6H13-1+CO 1.000E+11 0.00 9.600E+03
REV / 1.000E+11 0.00 0.000 /
!
!
!
!
IC12H25CHO + O2 = IC12H25CO+HO2 2.000E+13 0.50 4.220E+04
REV / 1.000E+07 0.00 4.000E+04 /
IC12H25CHO + OH = IC12H25CO+H2O 2.690E+10 0.76 -3.400E+02
REV / 1.740E+10 0.76 3.120E+04 /
IC12H25CHO+H = IC12H25CO+H2 4.000E+13 0.00 4.200E+03
REV / 1.800E+13 0.00 2.400E+04 /
IC12H25CHO+O = IC12H25CO + OH 5.000E+12 0.00 1.790E+03
REV / 1.000E+12 0.00 1.900E+04 /
IC12H25CHO+HO2 = IC12H25CO+H2O2 2.800E+12 0.00 1.360E+04
REV / 1.000E+12 0.00 1.000E+04 /
IC12H25CHO+CH3 = IC12H25CO+CH4 1.700E+12 0.00 8.440E+03
REV / 1.500E+13 0.00 2.800E+04 /
IC12H25CHO+CH3O = IC12H25CO+CH3OH 1.150E+11 0.00 1.280E+03
REV / 3.000E+11 0.00 1.800E+04 /
IC12H25CHO+CH3O2 = IC12H25CO+CH3O2H 1.000E+12 0.00 9.500E+03
REV / 2.500E+10 0.00 1.000E+04 /
IC12H25CO = C12H25-2K+CO 1.000E+11 0.00 9.600E+03
REV / 1.000E+11 0.00 0.000 /
!
IC11H23CHO + O2 = IC11H23CO+HO2 2.000E+13 0.50 4.220E+04
REV / 1.000E+07 0.00 4.000E+04 /
IC11H23CHO + OH = IC11H23CO+H2O 2.690E+10 0.76 -3.400E+02
REV / 1.740E+10 0.76 3.120E+04 /
IC11H23CHO+H = IC11H23CO+H2 4.000E+13 0.00 4.200E+03
REV / 1.800E+13 0.00 2.400E+04 /
IC11H23CHO+O = IC11H23CO + OH 5.000E+12 0.00 1.790E+03
REV / 1.000E+12 0.00 1.900E+04 /
IC11H23CHO+HO2 = IC11H23CO+H2O2 2.800E+12 0.00 1.360E+04
REV / 1.000E+12 0.00 1.000E+04 /
IC11H23CHO+CH3 = IC11H23CO+CH4 1.700E+12 0.00 8.440E+03
REV / 1.500E+13 0.00 2.800E+04 /
IC11H23CHO+CH3O = IC11H23CO+CH3OH 1.150E+11 0.00 1.280E+03
REV / 3.000E+11 0.00 1.800E+04 /
IC11H23CHO+CH3O2 = IC11H23CO+CH3O2H 1.000E+12 0.00 9.500E+03
REV / 2.500E+10 0.00 1.000E+04 /
IC11H23CO = C11H23-2J+CO 1.000E+11 0.00 9.600E+03
REV / 1.000E+11 0.00 0.000 /
!
IC10H21CHO + O2 = IC10H21CO+HO2 2.000E+13 0.50 4.220E+04
REV / 1.000E+07 0.00 4.000E+04 /
IC10H21CHO + OH = IC10H21CO+H2O 2.690E+10 0.76 -3.400E+02
REV / 1.740E+10 0.76 3.120E+04 /
IC10H21CHO+H = IC10H21CO+H2 4.000E+13 0.00 4.200E+03
REV / 1.800E+13 0.00 2.400E+04 /
IC10H21CHO+O = IC10H21CO + OH 5.000E+12 0.00 1.790E+03
REV / 1.000E+12 0.00 1.900E+04 /
IC10H21CHO+HO2 = IC10H21CO+H2O2 2.800E+12 0.00 1.360E+04
REV / 1.000E+12 0.00 1.000E+04 /
IC10H21CHO+CH3 = IC10H21CO+CH4 1.700E+12 0.00 8.440E+03
REV / 1.500E+13 0.00 2.800E+04 /
IC10H21CHO+CH3O = IC10H21CO+CH3OH 1.150E+11 0.00 1.280E+03
REV / 3.000E+11 0.00 1.800E+04 /
IC10H21CHO+CH3O2 = IC10H21CO+CH3O2H 1.000E+12 0.00 9.500E+03
REV / 2.500E+10 0.00 1.000E+04 /
IC10H21CO = C10H21-2I+CO 1.000E+11 0.00 9.600E+03
REV / 1.000E+11 0.00 0.000 /
!
IC9H19CHO + O2 = IC9H19CO+HO2 2.000E+13 0.50 4.220E+04
REV / 1.000E+07 0.00 4.000E+04 /
IC9H19CHO + OH = IC9H19CO+H2O 2.690E+10 0.76 -3.400E+02
REV / 1.740E+10 0.76 3.120E+04 /
IC9H19CHO+H = IC9H19CO+H2 4.000E+13 0.00 4.200E+03
REV / 1.800E+13 0.00 2.400E+04 /
IC9H19CHO+O = IC9H19CO + OH 5.000E+12 0.00 1.790E+03
REV / 1.000E+12 0.00 1.900E+04 /
IC9H19CHO+HO2 = IC9H19CO+H2O2 2.800E+12 0.00 1.360E+04
REV / 1.000E+12 0.00 1.000E+04 /
IC9H19CHO+CH3 = IC9H19CO+CH4 1.700E+12 0.00 8.440E+03
REV / 1.500E+13 0.00 2.800E+04 /
IC9H19CHO+CH3O = IC9H19CO+CH3OH 1.150E+11 0.00 1.280E+03
REV / 3.000E+11 0.00 1.800E+04 /
IC9H19CHO+CH3O2 = IC9H19CO+CH3O2H 1.000E+12 0.00 9.500E+03
REV / 2.500E+10 0.00 1.000E+04 /
IC9H19CO = C9H19-2H+CO 1.000E+11 0.00 9.600E+03
REV / 1.000E+11 0.00 0.000 /
!
IC8H17CHO + O2 = IC8H17CO+HO2 2.000E+13 0.50 4.220E+04
REV / 1.000E+07 0.00 4.000E+04 /
IC8H17CHO + OH = IC8H17CO+H2O 2.690E+10 0.76 -3.400E+02
REV / 1.740E+10 0.76 3.120E+04 /
IC8H17CHO+H = IC8H17CO+H2 4.000E+13 0.00 4.200E+03
REV / 1.800E+13 0.00 2.400E+04 /
IC8H17CHO+O = IC8H17CO + OH 5.000E+12 0.00 1.790E+03
REV / 1.000E+12 0.00 1.900E+04 /
IC8H17CHO+HO2 = IC8H17CO+H2O2 2.800E+12 0.00 1.360E+04
REV / 1.000E+12 0.00 1.000E+04 /
IC8H17CHO+CH3 = IC8H17CO+CH4 1.700E+12 0.00 8.440E+03
REV / 1.500E+13 0.00 2.800E+04 /
IC8H17CHO+CH3O = IC8H17CO+CH3OH 1.150E+11 0.00 1.280E+03
REV / 3.000E+11 0.00 1.800E+04 /
IC8H17CHO+CH3O2 = IC8H17CO+CH3O2H 1.000E+12 0.00 9.500E+03
REV / 2.500E+10 0.00 1.000E+04 /
IC8H17CO = C8H17-2G+CO 1.000E+11 0.00 9.600E+03
REV / 1.000E+11 0.00 0.000 /
!
IC7H15CHO + O2 = IC7H15CO+HO2 2.000E+13 0.50 4.220E+04
REV / 1.000E+07 0.00 4.000E+04 /
IC7H15CHO + OH = IC7H15CO+H2O 2.690E+10 0.76 -3.400E+02
REV / 1.740E+10 0.76 3.120E+04 /
IC7H15CHO+H = IC7H15CO+H2 4.000E+13 0.00 4.200E+03
REV / 1.800E+13 0.00 2.400E+04 /
IC7H15CHO+O = IC7H15CO + OH 5.000E+12 0.00 1.790E+03
REV / 1.000E+12 0.00 1.900E+04 /
IC7H15CHO+HO2 = IC7H15CO+H2O2 2.800E+12 0.00 1.360E+04
REV / 1.000E+12 0.00 1.000E+04 /
IC7H15CHO+CH3 = IC7H15CO+CH4 1.700E+12 0.00 8.440E+03
REV / 1.500E+13 0.00 2.800E+04 /
IC7H15CHO+CH3O = IC7H15CO+CH3OH 1.150E+11 0.00 1.280E+03
REV / 3.000E+11 0.00 1.800E+04 /
IC7H15CHO+CH3O2 = IC7H15CO+CH3O2H 1.000E+12 0.00 9.500E+03
REV / 2.500E+10 0.00 1.000E+04 /
IC7H15CO = C7H15-2F+CO 1.000E+11 0.00 9.600E+03
REV / 1.000E+11 0.00 0.000 /
!
IC6H13CHO + O2 = IC6H13CO+HO2 2.000E+13 0.50 4.220E+04
REV / 1.000E+07 0.00 4.000E+04 /
IC6H13CHO + OH = IC6H13CO+H2O 2.690E+10 0.76 -3.400E+02
REV / 1.740E+10 0.76 3.120E+04 /
IC6H13CHO+H = IC6H13CO+H2 4.000E+13 0.00 4.200E+03
REV / 1.800E+13 0.00 2.400E+04 /
IC6H13CHO+O = IC6H13CO + OH 5.000E+12 0.00 1.790E+03
REV / 1.000E+12 0.00 1.900E+04 /
IC6H13CHO+HO2 = IC6H13CO+H2O2 2.800E+12 0.00 1.360E+04
REV / 1.000E+12 0.00 1.000E+04 /
IC6H13CHO+CH3 = IC6H13CO+CH4 1.700E+12 0.00 8.440E+03
REV / 1.500E+13 0.00 2.800E+04 /
IC6H13CHO+CH3O = IC6H13CO+CH3OH 1.150E+11 0.00 1.280E+03
REV / 3.000E+11 0.00 1.800E+04 /
IC6H13CHO+CH3O2 = IC6H13CO+CH3O2H 1.000E+12 0.00 9.500E+03
REV / 2.500E+10 0.00 1.000E+04 /
IC6H13CO = EC6H13+CO 1.000E+11 0.00 9.600E+03
REV / 1.000E+11 0.00 0.000 /
!
!
IC5H11CHO + O2 = IC5H11CO+HO2 2.000E+13 0.50 4.220E+04
REV / 1.000E+07 0.00 4.000E+04 /
IC5H11CHO + OH = IC5H11CO+H2O 2.690E+10 0.76 -3.400E+02
REV / 1.740E+10 0.76 3.120E+04 /
IC5H11CHO+H = IC5H11CO+H2 4.000E+13 0.00 4.200E+03
REV / 1.800E+13 0.00 2.400E+04 /
IC5H11CHO+O = IC5H11CO + OH 5.000E+12 0.00 1.790E+03
REV / 1.000E+12 0.00 1.900E+04 /
IC5H11CHO+HO2 = IC5H11CO+H2O2 2.800E+12 0.00 1.360E+04
REV / 1.000E+12 0.00 1.000E+04 /
IC5H11CHO+CH3 = IC5H11CO+CH4 1.700E+12 0.00 8.440E+03
REV / 1.500E+13 0.00 2.800E+04 /
IC5H11CHO+CH3O = IC5H11CO+CH3OH 1.150E+11 0.00 1.280E+03
REV / 3.000E+11 0.00 1.800E+04 /
IC5H11CHO+CH3O2 = IC5H11CO+CH3O2H 1.000E+12 0.00 9.500E+03
REV / 2.500E+10 0.00 1.000E+04 /
IC5H11CO = DC5H11+CO 1.000E+11 0.00 9.600E+03
REV / 1.000E+11 0.00 0.000 /
!
!
IC4H9CHO + O2 = IC4H9CO+HO2 2.000E+13 0.50 4.220E+04
REV / 1.000E+07 0.00 4.000E+04 /
IC4H9CHO + OH = IC4H9CO+H2O 2.690E+10 0.76 -3.400E+02
REV / 1.740E+10 0.76 3.120E+04 /
IC4H9CHO+H = IC4H9CO+H2 4.000E+13 0.00 4.200E+03
REV / 1.800E+13 0.00 2.400E+04 /
IC4H9CHO+O = IC4H9CO + OH 5.000E+12 0.00 1.790E+03
REV / 1.000E+12 0.00 1.900E+04 /
IC4H9CHO+HO2 = IC4H9CO+H2O2 2.800E+12 0.00 1.360E+04
REV / 1.000E+12 0.00 1.000E+04 /
IC4H9CHO+CH3 = IC4H9CO+CH4 1.700E+12 0.00 8.440E+03
REV / 1.500E+13 0.00 2.800E+04 /
IC4H9CHO+CH3O = IC4H9CO+CH3OH 1.150E+11 0.00 1.280E+03
REV / 3.000E+11 0.00 1.800E+04 /
IC4H9CHO+CH3O2 = IC4H9CO+CH3O2H 1.000E+12 0.00 9.500E+03
REV / 2.500E+10 0.00 1.000E+04 /
IC4H9CO = IC4H9+CO 1.000E+11 0.00 9.600E+03
REV / 1.000E+11 0.00 0.000 /
!
!
!
!
!
!
!
!
!
!
NC3H7COC2H3+H = H2+C3H6+C2H3CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC3H7COC2H3 + OH = H2O+C3H6+C2H3CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC3H7COC2H3+O = OH+C3H6+C2H3CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC3H7COC2H3+HO2 = H2O2+C3H6+C2H3CO 5.000E+12 0.00 15000.
REV / 0.00 0.00 0.00 /
NC3H7COC2H3+H = H2+C2H5CHCO+C2H3 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC3H7COC2H3 + OH = H2O+C2H5CHCO+C2H3 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC3H7COC2H3+O = OH+C2H5CHCO+C2H3 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC3H7COC2H3+HO2 = H2O2+C2H5CHCO+C2H3 5.000E+12 0.00 15000.
REV / 0.00 0.00 0.00 /
!
NC4H9COC2H3+H = H2+C4H8-1+C2H3CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC4H9COC2H3 + OH = H2O+C4H8-1+C2H3CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC4H9COC2H3+O = OH+C4H8-1+C2H3CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC4H9COC2H3+HO2 = H2O2+C4H8-1+C2H3CO 5.000E+12 0.00 15000.
REV / 0.00 0.00 0.00 /
NC4H9COC2H3+H = H2+NC3H7CHCO+C2H3 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC4H9COC2H3 + OH = H2O+NC3H7CHCO+C2H3 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC4H9COC2H3+O = OH+NC3H7CHCO+C2H3 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC4H9COC2H3+HO2 = H2O2+NC3H7CHCO+C2H3 5.000E+12 0.00 15000.
REV / 0.00 0.00 0.00 /
!
NC5H11COC2H3+H = H2+C5H10-1+C2H3CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC5H11COC2H3 + OH = H2O+C5H10-1+C2H3CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC5H11COC2H3+O = OH+C5H10-1+C2H3CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC5H11COC2H3+HO2 = H2O2+C5H10-1+C2H3CO 5.000E+12 0.00 15000.
REV / 0.00 0.00 0.00 /
NC5H11COC2H3+H = H2+NC4H9CHCO+C2H3 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC5H11COC2H3 + OH = H2O+NC4H9CHCO+C2H3 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC5H11COC2H3+O = OH+NC4H9CHCO+C2H3 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC5H11COC2H3+HO2 = H2O2+NC4H9CHCO+C2H3 5.000E+12 0.00 15000.
REV / 0.00 0.00 0.00 /
!
NC6H13COC2H3+H = H2+C6H12-1+C2H3CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC6H13COC2H3 + OH = H2O+C6H12-1+C2H3CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC6H13COC2H3+O = OH+C6H12-1+C2H3CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC6H13COC2H3+HO2 = H2O2+C6H12-1+C2H3CO 5.000E+12 0.00 15000.
REV / 0.00 0.00 0.00 /
NC6H13COC2H3+H = H2+NC5H11CHCO+C2H3 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC6H13COC2H3 + OH = H2O+NC5H11CHCO+C2H3 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC6H13COC2H3+O = OH+NC5H11CHCO+C2H3 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC6H13COC2H3+HO2 = H2O2+NC5H11CHCO+C2H3 5.000E+12 0.00 15000.
REV / 0.00 0.00 0.00 /
!
!
NC7H15COC2H3+H = H2+C7H14-1+C2H3CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC7H15COC2H3 + OH = H2O+C7H14-1+C2H3CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC7H15COC2H3+O = OH+C7H14-1+C2H3CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC7H15COC2H3+HO2 = H2O2+C7H14-1+C2H3CO 5.000E+12 0.00 15000.
REV / 0.00 0.00 0.00 /
NC7H15COC2H3+H = H2+NC6H13CHCO+C2H3 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC7H15COC2H3 + OH = H2O+NC6H13CHCO+C2H3 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC7H15COC2H3+O = OH+NC6H13CHCO+C2H3 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC7H15COC2H3+HO2 = H2O2+NC6H13CHCO+C2H3 5.000E+12 0.00 15000.
REV / 0.00 0.00 0.00 /
!
!
NC8H17COC2H3+H = H2+C8H16-1+C2H3CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC8H17COC2H3 + OH = H2O+C8H16-1+C2H3CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC8H17COC2H3+O = OH+C8H16-1+C2H3CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC8H17COC2H3+HO2 = H2O2+C8H16-1+C2H3CO 5.000E+12 0.00 15000.
REV / 0.00 0.00 0.00 /
NC8H17COC2H3+H = H2+NC7H15CHCO+C2H3 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC8H17COC2H3 + OH = H2O+NC7H15CHCO+C2H3 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC8H17COC2H3+O = OH+NC7H15CHCO+C2H3 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC8H17COC2H3+HO2 = H2O2+NC7H15CHCO+C2H3 5.000E+12 0.00 15000.
REV / 0.00 0.00 0.00 /
!
!
NC9H19COC2H3+H = H2+C9H18-1+C2H3CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC9H19COC2H3 + OH = H2O+C9H18-1+C2H3CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC9H19COC2H3+O = OH+C9H18-1+C2H3CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC9H19COC2H3+HO2 = H2O2+C9H18-1+C2H3CO 5.000E+12 0.00 15000.
REV / 0.00 0.00 0.00 /
NC9H19COC2H3+H = H2+NC8H17CHCO+C2H3 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC9H19COC2H3 + OH = H2O+NC8H17CHCO+C2H3 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC9H19COC2H3+O = OH+NC8H17CHCO+C2H3 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC9H19COC2H3+HO2 = H2O2+NC8H17CHCO+C2H3 5.000E+12 0.00 15000.
REV / 0.00 0.00 0.00 /
!
!
NC10H21COC2H3+H = H2+C10H20-1+C2H3CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC10H21COC2H3 + OH = H2O+C10H20-1+C2H3CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC10H21COC2H3+O = OH+C10H20-1+C2H3CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC10H21COC2H3+HO2 = H2O2+C10H20-1+C2H3CO 5.000E+12 0.00 15000.
REV / 0.00 0.00 0.00 /
NC10H21COC2H3+H = H2+NC9H19CHCO+C2H3 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC10H21COC2H3 + OH = H2O+NC9H19CHCO+C2H3 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC10H21COC2H3+O = OH+NC9H19CHCO+C2H3 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC10H21COC2H3+HO2 = H2O2+NC9H19CHCO+C2H3 5.000E+12 0.00 15000.
REV / 0.00 0.00 0.00 /
!
!
NC11H23COC2H3+H = H2+C11H22-1+C2H3CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC11H23COC2H3 + OH = H2O+C11H22-1+C2H3CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC11H23COC2H3+O = OH+C11H22-1+C2H3CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC11H23COC2H3+HO2 = H2O2+C11H22-1+C2H3CO 5.000E+12 0.00 15000.
REV / 0.00 0.00 0.00 /
NC11H23COC2H3+H = H2+NC10H21CHCO+C2H3 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC11H23COC2H3 + OH = H2O+NC10H21CHCO+C2H3 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC11H23COC2H3+O = OH+NC10H21CHCO+C2H3 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC11H23COC2H3+HO2 = H2O2+NC10H21CHCO+C2H3 5.000E+12 0.00 15000.
REV / 0.00 0.00 0.00 /
!
!
NC12H25COC2H3+H = H2+C12H24-1+C2H3CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC12H25COC2H3 + OH = H2O+C12H24-1+C2H3CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC12H25COC2H3+O = OH+C12H24-1+C2H3CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC12H25COC2H3+HO2 = H2O2+C12H24-1+C2H3CO 5.000E+12 0.00 15000.
REV / 0.00 0.00 0.00 /
NC12H25COC2H3+H = H2+NC11H23CHCO+C2H3 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC12H25COC2H3 + OH = H2O+NC11H23CHCO+C2H3 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC12H25COC2H3+O = OH+NC11H23CHCO+C2H3 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC12H25COC2H3+HO2 = H2O2+NC11H23CHCO+C2H3 5.000E+12 0.00 15000.
REV / 0.00 0.00 0.00 /
!
!
NC3H7CHCO+H = H2+C3H6+HCCO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC3H7CHCO+O = OH+C3H6+HCCO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC3H7CHCO + OH = H2O+C3H6+HCCO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC3H7CHCO+HO2 = H2O2+C3H6+HCCO 5.000E+12 0.00 15000.
REV / 0.00 0.00 0.00 /
NC3H7CHCO+H = PC4H9+CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC3H7CHCO+O = C4H8-1+CO2 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC3H7CHCO + OH = PC4H9+CO2 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
!
NC4H9CHCO+H = H2+C4H8-1+HCCO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC4H9CHCO+O = OH+C4H8-1+HCCO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC4H9CHCO + OH = H2O+C4H8-1+HCCO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC4H9CHCO+HO2 = H2O2+C4H8-1+HCCO 5.000E+12 0.00 15000.
REV / 0.00 0.00 0.00 /
NC4H9CHCO+H = C5H11-1+CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC4H9CHCO+O = C5H10-1+CO2 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC4H9CHCO + OH = C5H11-1+CO2 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
!
NC5H11CHCO+H = H2+C5H10-1+HCCO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC5H11CHCO+O = OH+C5H10-1+HCCO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC5H11CHCO + OH = H2O+C5H10-1+HCCO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC5H11CHCO+HO2 = H2O2+C5H10-1+HCCO 5.000E+12 0.00 15000.
REV / 0.00 0.00 0.00 /
NC5H11CHCO+H = C6H13-1+CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC5H11CHCO+O = C6H12-1+CO2 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC5H11CHCO + OH = C6H13-1+CO2 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
!
NC6H13CHCO+H = H2+C6H12-1+HCCO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC6H13CHCO+O = OH+C6H12-1+HCCO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC6H13CHCO + OH = H2O+C6H12-1+HCCO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC6H13CHCO+HO2 = H2O2+C6H12-1+HCCO 5.000E+12 0.00 15000.
REV / 0.00 0.00 0.00 /
NC6H13CHCO+H = C7H15-1+CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC6H13CHCO+O = C7H14-1+CO2 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC6H13CHCO + OH = C7H15-1+CO2 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
!
NC7H15CHCO+H = H2+C7H14-1+HCCO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC7H15CHCO+O = OH+C7H14-1+HCCO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC7H15CHCO + OH = H2O+C7H14-1+HCCO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC7H15CHCO+HO2 = H2O2+C7H14-1+HCCO 5.000E+12 0.00 15000.
REV / 0.00 0.00 0.00 /
NC7H15CHCO+H = C8H17-1+CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC7H15CHCO+O = C8H16-1+CO2 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC7H15CHCO + OH = C8H17-1+CO2 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
!
!
NC8H17CHCO+H = H2+C8H16-1+HCCO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC8H17CHCO+O = OH+C8H16-1+HCCO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC8H17CHCO + OH = H2O+C8H16-1+HCCO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC8H17CHCO+HO2 = H2O2+C8H16-1+HCCO 5.000E+12 0.00 15000.
REV / 0.00 0.00 0.00 /
NC8H17CHCO+H = C9H19-1+CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC8H17CHCO+O = C9H18-1+CO2 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC8H17CHCO + OH = C9H19-1+CO2 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
!
!
NC9H19CHCO+H = H2+C9H18-1+HCCO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC9H19CHCO+O = OH+C9H18-1+HCCO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC9H19CHCO + OH = H2O+C9H18-1+HCCO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC9H19CHCO+HO2 = H2O2+C9H18-1+HCCO 5.000E+12 0.00 15000.
REV / 0.00 0.00 0.00 /
NC9H19CHCO+H = C10H21-1+CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC9H19CHCO+O = C10H20-1+CO2 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC9H19CHCO + OH = C10H21-1+CO2 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
!
!
NC10H21CHCO+H = H2+C10H20-1+HCCO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC10H21CHCO+O = OH+C10H20-1+HCCO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC10H21CHCO + OH = H2O+C10H20-1+HCCO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC10H21CHCO+HO2 = H2O2+C10H20-1+HCCO 5.000E+12 0.00 15000.
REV / 0.00 0.00 0.00 /
NC10H21CHCO+H = C11H23-1+CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC10H21CHCO+O = C11H22-1+CO2 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC10H21CHCO + OH = C11H23-1+CO2 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
!
!
NC11H23CHCO+H = H2+C11H22-1+HCCO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC11H23CHCO+O = OH+C11H22-1+HCCO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC11H23CHCO + OH = H2O+C11H22-1+HCCO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC11H23CHCO+HO2 = H2O2+C11H22-1+HCCO 5.000E+12 0.00 15000.
REV / 0.00 0.00 0.00 /
NC11H23CHCO+H = C12H25-1+CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC11H23CHCO+O = C12H24-1+CO2 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
NC11H23CHCO + OH = C12H25-1+CO2 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
!
!
!
IC3H7CHCO+H = H2+C3H6+HCCO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
IC3H7CHCO+O = OH+C3H6+HCCO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
IC3H7CHCO + OH = H2O+C3H6+HCCO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
IC3H7CHCO+HO2 = H2O2+C3H6+HCCO 5.000E+12 0.00 15000.
REV / 0.00 0.00 0.00 /
IC3H7CHCO+H = PC4H9+CO 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
IC3H7CHCO+O = C4H8-1+CO2 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
IC3H7CHCO + OH = PC4H9+CO2 3.000E+12 0.00 0.000
REV / 0.00 0.00 0.00 /
!
! DECOMPOSITION OF LARGE RADICALS
!
!
!
NC12H25COCH2 = C12H25-1+CH2CO 2.000E+13 0.00 31000.
REV / 2.000E+11 0.00 7350. /
NC11H23COCH2 = C11H23-1+CH2CO 2.000E+13 0.00 31000.
REV / 2.000E+11 0.00 7350. /
NC10H21COCH2 = C10H21-1+CH2CO 2.000E+13 0.00 31000.
REV / 2.000E+11 0.00 7350. /
NC9H19COCH2 = C9H19-1+CH2CO 2.000E+13 0.00 31000.
REV / 2.000E+11 0.00 7350. /
NC8H17COCH2 = C8H17-1+CH2CO 2.000E+13 0.00 31000.
REV / 2.000E+11 0.00 7350. /
NC7H15COCH2 = C7H15-1+CH2CO 2.000E+13 0.00 31000.
REV / 2.000E+11 0.00 7350. /
NC6H13COCH2 = C6H13-1+CH2CO 2.000E+13 0.00 31000.
REV / 2.000E+11 0.00 7350. /
NC5H11COCH2 = C5H11-1+CH2CO 2.000E+13 0.00 31000.
REV / 2.000E+11 0.00 7350. /
!
IC12H25COCH2 = C12H25-2J+CH2CO 2.000E+13 0.00 31000.
REV / 2.000E+11 0.00 7350. /
IC11H23COCH2 = C11H23-2I+CH2CO 2.000E+13 0.00 31000.
REV / 2.000E+11 0.00 7350. /
IC10H21COCH2 = C10H21-2H+CH2CO 2.000E+13 0.00 31000.
REV / 2.000E+11 0.00 7350. /
IC9H19COCH2 = C9H19-2G+CH2CO 2.000E+13 0.00 31000.
REV / 2.000E+11 0.00 7350. /
IC8H17COCH2 = C8H17-2F+CH2CO 2.000E+13 0.00 31000.
REV / 2.000E+11 0.00 7350. /
IC7H15COCH2 = C7H15-2E+CH2CO 2.000E+13 0.00 31000.
REV / 2.000E+11 0.00 7350. /
IC6H13COCH2 = DC6H13+CH2CO 2.000E+13 0.00 31000.
REV / 2.000E+11 0.00 7350. /
IC5H11COCH2 = CC5H11+CH2CO 2.000E+13 0.00 31000.
REV / 2.000E+11 0.00 7350. /
IC4H9COCH2 = PC4H9+CH2CO 2.000E+13 0.00 31000.
REV / 2.000E+11 0.00 7350. /
IC3H7COCH2 = IC3H7+CH2CO 2.880E+15 -0.54 3.994E+04
REV / 8.000E+10 0.00 1.060E+04 /
!
NC12H25COC2H4P = NC12H25CO+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
NC11H23COC2H4P = NC11H23CO+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
NC10H21COC2H4P = NC10H21CO+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
NC9H19COC2H4P = NC9H19CO+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
NC8H17COC2H4P = NC8H17CO+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
NC7H15COC2H4P = NC7H15CO+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
NC6H13COC2H4P = NC6H13CO+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
NC5H11COC2H4P = NC5H11CO+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
NC4H9COC2H4P = NC4H9CO+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
!
!
IC12H25COC2H4P = IC12H25CO+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
IC11H23COC2H4P = IC11H23CO+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
IC10H21COC2H4P = IC10H21CO+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
IC9H19COC2H4P = IC9H19CO+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
IC8H17COC2H4P = IC8H17CO+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
IC7H15COC2H4P = IC7H15CO+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
IC6H13COC2H4P = IC6H13CO+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
IC5H11COC2H4P = IC5H11CO+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
IC4H9COC2H4P = IC4H9CO+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
!
!
NC12H25COC3H6P = NC12H25COCH2+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
NC11H23COC3H6P = NC11H23COCH2+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
NC10H21COC3H6P = NC10H21COCH2+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
NC9H19COC3H6P = NC9H19COCH2+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
NC8H17COC3H6P = NC8H17COCH2+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
NC7H15COC3H6P = NC7H15COCH2+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
NC6H13COC3H6P = NC6H13COCH2+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
NC5H11COC3H6P = NC5H11COCH2+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
NC4H9COC3H6P = NC4H9COCH2+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
NC3H7COC3H6P = NC3H7COCH2+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
!
!
IC12H25COC3H6P = IC12H25COCH2+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
IC11H23COC3H6P = IC11H23COCH2+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
IC10H21COC3H6P = IC10H21COCH2+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
IC9H19COC3H6P = IC9H19COCH2+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
IC8H17COC3H6P = IC8H17COCH2+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
IC7H15COC3H6P = IC7H15COCH2+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
IC6H13COC3H6P = IC6H13COCH2+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
IC5H11COC3H6P = IC5H11COCH2+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
IC4H9COC3H6P = IC4H9COCH2+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
IC3H7COC3H6P = IC3H7COCH2+C2H4 5.000E+17 -1.5 26000.
REV / 2.500E+11 0.00 7800. /
!
!
!CH3CHCHO CHEMISTRY
CH3CHCHO+HO2 = C2H5CHO + O2 7.350E+12 0.00 1.310E+03
REV / 8.071E+13 -0.08 4.507E+04 /
CH3CHCHO+HO2 = CH3CHOCHO + OH 9.640E+12 0.00 0.000E+00
REV / 1.552E+16 -0.96 2.174E+04 /
CH3CHOCHO = CH3CHO+HCO 3.980E+13 0.00 9.700E+03
REV / 4.335E+05 1.72 8.282E+03 /
CH3CHCHO = C2H3CHO+H 3.515E+15 -0.51 4.106E+04
REV / 6.500E+12 0.00 2.900E+03 /
CH3CHCHO = CH3CHCO+H 1.135E+16 -0.66 4.031E+04
REV / 5.000E+12 0.00 1.200E+03 /
CH3CHCHO+H2 = C2H5CHO+H 2.160E+05 2.38 1.899E+04
REV / 4.309E+04 2.63 5.265E+03 /
C2H5CHO+HO2 = CH3CHCHO+H2O2 8.000E+10 0.00 1.192E+04
REV / 1.031E+13 -0.57 9.337E+03 /
CH3CHCHO + O2 = CH3CHCO+HO2 1.810E+11 0.00 1.840E+03
REV / 2.731E+10 -0.01 1.269E+04 /
CH3CHCHO + O2 = C2H3CHO+HO2 2.725E+11 0.00 7.240E+03
REV / 1.726E+11 -0.16 1.904E+04 /
CH3CHCHO + O2 = CH3CHO+CO + OH 3.620E+10 0.00 0.000E+00
REV / 0.000E+00 0.00 0.000E+00 /
!
!
IC3H7COC2H3 + OH = IC3H6COC2H3+H2O 1.530E+08 1.53 8.775E+03
REV / 3.039E+07 1.53 2.821E+04 /
IC3H7COC2H3 + OH = TC3H6COC2H3+H2O 1.684E+12 0.00 -7.810E+02
REV / 1.073E+10 0.49 2.321E+04 /
IC3H7COC2H3 + OH = CH3CHO+IC3H7CO 1.530E+08 1.53 8.775E+03
REV / 1.013E+03 2.76 2.841E+04 /
IC3H7COC2H3+HO2 = IC3H6COC2H3+H2O2 2.740E+04 2.55 1.550E+04
REV / 3.231E+04 2.22 3.467E+03 /
IC3H7COC2H3+HO2 = TC3H6COC2H3+H2O2 8.000E+10 0.00 1.192E+04
REV / 3.027E+09 0.16 4.451E+03 /
IC3H7COC2H3+HO2 = CH2CHO+IC3H7CO + OH 6.030E+09 0.00 7.949E+03
REV / 1.000E+00 0.00 0.000E+00 /
IC3H7COC2H3+CH3O2 = IC3H6COC2H3+CH3O2H 2.000E+04 2.55 1.550E+04
REV / 9.691E+04 2.04 2.747E+03 /
IC3H7COC2H3+CH3O2 = TC3H6COC2H3+CH3O2H 3.610E+03 2.55 8.032E+03
REV / 5.612E+02 2.53 -1.568E+02 /
IC3H7COC2H3+CH3O2 = CH2CHO+IC3H7CO+CH3O 3.970E+11 0.00 1.705E+04
REV / 1.000E+00 0.00 0.000E+00 /
IC3H6COC2H3 = C3H6+C2H3CO 1.119E+17 -1.24 2.060E+04
REV / 8.000E+10 0.00 1.060E+04 /
TC3H6COC2H3 = IC3H6CO+C2H3 1.460E+13 -0.06 4.725E+04
REV / 8.000E+10 0.00 1.160E+04 /
!
!
!!!! CLASS 23 ADDITIONAL REACTIONS FOR OOH GROUP ON TERTIARY SITE !!!
!
C7OOH2-OO4-2 = C2H4 + OH + IC5KETDB 3.75E+10 0.00
2.400E+04 !6M,P
REV/ 0.000E+00 0.000 0.000E+00 /
!
!
C7OOH2-OO3-2 = C3H6 + OH + IC4KETIT 2.50E+10 0.00
2.045E+04 !6M,S
REV/ 0.000E+00 0.000 0.000E+00 /
!
!
!
!
C8OOH2-OO4-2 = C3H6 + OH + IC5KETDB 2.50E+10 0.00
2.045E+04 !6M,S
REV/ 0.000E+00 0.000 0.000E+00 /
C8OOH2-OO5-2 = C2H4 + OH + IC6KETEB 3.75E+10 0.00
2.400E+04 !6M,P
REV/ 0.000E+00 0.000 0.000E+00 /
!
!
C8OOH2-OO3-2 = C4H8-1 + OH + IC4KETIT 2.50E+10 0.00
2.045E+04 !6M,S
REV/ 0.000E+00 0.000 0.000E+00 /
!
!
!
!
C9OOH2-OO4-2 = C4H8-1 + OH + IC5KETDB 2.50E+10 0.00
2.045E+04 !6M,S
REV/ 0.000E+00 0.000 0.000E+00 /
C9OOH2-OO5-2 = C3H6 + OH + IC6KETEB 2.50E+10 0.00
2.045E+04 !6M,S
REV/ 0.000E+00 0.000 0.000E+00 /
C9OOH2-OO6-2 = C2H4 + OH + C7KET6-2-2 3.75E+10 0.00
2.400E+04 !6M,P
REV/ 0.000E+00 0.000 0.000E+00 /
!
!
C9OOH2-OO3-2 = C5H10-1 + OH + IC4KETIT 2.50E+10 0.00
2.045E+04 !6M,S
REV/ 0.000E+00 0.000 0.000E+00 /
!
!
C10OOH2-OO4-2 = C5H10-1 + OH + IC5KETDB 2.50E+10 0.00
2.045E+04 !6M,S
REV/ 0.000E+00 0.000 0.000E+00 /
C10OOH2-OO5-2 = C4H8-1 + OH + IC6KETEB 2.50E+10 0.00
2.045E+04 !6M,S
REV/ 0.000E+00 0.000 0.000E+00 /
C10OOH2-OO6-2 = C3H6 + OH + C7KET6-2-2 2.50E+10 0.00
2.045E+04 !6M,S
REV/ 0.000E+00 0.000 0.000E+00 /
!
C10OOH2-OO3-2 = C6H12-1 + OH + IC4KETIT 2.50E+10 0.00
2.045E+04 !6M,S
REV/ 0.000E+00 0.000 0.000E+00 /
!
!
!
C11OOH2-OO4-2 = C6H12-1 + OH + IC5KETDB 2.50E+10 0.00
2.045E+04 !6M,S
REV/ 0.000E+00 0.000 0.000E+00 /
C11OOH2-OO5-2 = C5H10-1 + OH + IC6KETEB 2.50E+10
0.00 2.045E+04 !6M,S
REV/ 0.000E+00 0.000 0.000E+00 /
C11OOH2-OO6-2 = C4H8-1 + OH + C7KET6-2-2 2.50E+10
0.00 2.045E+04 !6M,S
REV/ 0.000E+00 0.000 0.000E+00 /
!
!
C11OOH2-OO3-2 = C7H14-1 + OH + IC4KETIT 2.50E+10 0.00
2.045E+04 !6M,S
REV/ 0.000E+00 0.000 0.000E+00 /
!
!
!
C12OOH2-OO4-2 = C7H14-1 + OH + IC5KETDB 2.50E+10 0.00
2.045E+04 !6M,S
REV/ 0.000E+00 0.000 0.000E+00 /
C12OOH2-OO5-2 = C6H12-1 + OH + IC6KETEB 2.50E+10
0.00 2.045E+04 !6M,S
REV/ 0.000E+00 0.000 0.000E+00 /
C12OOH2-OO6-2 = C5H10-1 + OH + C7KET6-2-2 2.50E+10
0.00 2.045E+04 !6M,S
REV/ 0.000E+00 0.000 0.000E+00 /
!
!
C12OOH2-OO3-2 = C8H16-1 + OH + IC4KETIT 2.50E+10 0.00
2.045E+04 !6M,S
REV/ 0.000E+00 0.000 0.000E+00 /
!
!
!
!
IC5KETDB<=>CH3COCH3+CH2CHO+OH 1.000E+16 0.000 3.900E+04
REV/ 0.000E+00 0.000 0.000E+00 /
IC6KETEB<=>CH3COCH3+CH2CH2CHO+OH 1.000E+16 0.000 3.900E+04
REV/ 0.000E+00 0.000 0.000E+00 /
!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!
!
!CY13PD
!
!INITIATIONS
!
CY13PD=CY13PD5J+H 1.00E+15 0.0 78000.0 !NIST
CY13PD+O2=CY13PD5J+HO2 5.00E+12 0.0 37150.0 !
!
!
!ADDITIONS
!
!
!
CY13PD+H=CYC5H7U1 4.0E+12 0.0 0.0
CY13PD+OH=AC3H4CH2CHO 1.00E+13 0.0 0.0
AC3H4CH2CHO<=>C3H4-A+CH2CHO 4.132E+20 -2.360 5.247E+04 !!!FROM IC8
!CY13PD+CH3=CH3CY24PD+H 4.0E+12 0.0 6000.0 !MM
CY13PD+CH3=CH3CY24PD+H 8.11E+00 3.182 9382.99 ! WJP: based on
reverse rate from thermo of C6H5CH3+H<=>C6H6+CH3
!SUBSTITUTIONS
!
CY13PD+O=C4H6+CO 1.02E+14 -0.34 4674.0
!
!ABSTRACTIONS
!
CY13PD+H=H2+CY13PD5J 1.60E+06 2.4 4471.0 !PITZ2001
CY13PD+O=CY13PD5J+OH 6.03E+10 0.7 7633.0 !PITZ2001
CY13PD+OH=CY13PD5J+H2O 4.12E+06 2.00 -298.0 !PITZ2001
CY13PD+HO2=CY13PD5J+H2O2 4.00E+12 0.0 15900.0 !PITZ2001
CY13PD+HCO=CY13PD5J+CH2O 7.20E+06 1.9 17010.0 !PITZ2001
CY13PD+CH3=CH4+CY13PD5J 1.80E-01 4.0 0.0 !PITZ2001
CY13PD+C2H3=CY13PD5J+C2H4 1.20E-01 4.0 0.0 !PITZ2001
CY13PD+C3H5-A=C3H6+CY13PD5J 6.00E+12 0.0 15000.0 !PITZ2001
CY13PD+C3H3=CY13PD5J+C3H4-A 6.00E+12 0.000 12000.0 !MM
CY13PD+C3H3=CY13PD5J+C3H4-P 6.00E+12 0.000 12000.0 !MM
CY13PD+NC4H5=C4H6+CY13PD5J 3.00E+12 0.0 5000.0 !MM
CY13PD+CYC5H5OJ=CY13PD5J+CYC5H5OH 1.00E+12 0.0 6000.0 !MM
CY13PD+C6H5=C6H6+CY13PD5J 6.00E+12 0.0 6000.0 !MM
CY13PD+C6H5OJ=CY13PD5J+C6H5OH 8.00E+12 0.000 10000.0 !MM
!
CY13PD+C6H5=CJCXCC#C+C6H6 1.87E+00 3.81 2206
CY13PD+H=CJCXCC#C+H2 8.040E+05 2.500 1.228E+04
!
!
CJCXCC#C+HO2=OH+CO+NC4H5 8.000E+12 0.00 0.00
CJCXCC#C+O2=CO+C3H3+CH2O 1.000E+12 0.00 0.00
!
!
!
CY13PD+C2H3=C6H6+CH3 2.12E+67 -16.08 42640.0 !PITZ2001
!
!CONDENSATIONS
!
CY13PD+CY13PD=DICYPD 1.00E+13 0.0 31250.0 !PITZ2001
!
CY13PD5J+CY13PD5J=C10H10 1.00E+12 0.0 10000.0 !!!MM
1.84E+150 -40.75 67789.0 !PITZ2001 !
CY13PD5J+CY13PD5J=BICPDJ+H 2.00E+12 0.0 8000.0 !
2001LIN/MAU409-432
!!!REV/ 1.00E+14 0.0 0.0 /
!
CY13PD+CY13PD5J=IND+CH3 2.00E+12 0.00 20000.0
CY13PD+CY13PD5J=C10H10+H 3.22E+15 -1.37 16710.0
CY13PD+NC4H5=CR3+H 2.168E+12 0.0 5007.1 !
TSANG1991
!
!
CY13PD5J=CJCXCC#C 2.0E+13 0.00 77000.0 ! !
2000MOS/LIN415-425! FREQ_FAC2
CJCXCC#C=C3H3+C2H2 1.00E+13 0.00 38000.0 !MM
1.00E+12 0.0 31000.0 !ALZUETA19982000
C3H3+CH3=C4H6 1.00E+14 0.0 0.0
!
!
CY13PD5J+C2H3CHO=C2H3CO+CY13PD 1.00E+13 0.0 8843.0 !PITZ2001
CY13PD5J+HO2=CYC5H5OJ+OH 8.00E+12 0.0 0.0000 !MM ()
CY13PD5J+HO2=CPDOOH 1.99E+68 -17.17 19570.0 !PITZ2001
!
!
CY13PD5J+O2=OXCCXCCJCXO 2.11E+17 -2.25 8390.0 !PITZ2001
!
!
!
!
HCO+CXCCXCXO=OXCCXCCJCXO 4.00E+11 0.0 4100.0
!
!
!
!
!TERMINATIONS
!
CY13PD5J+OH=CYC5H5OH 1.24E+14 -0.57 0.0 !PITZ2001
CY13PD5J+C2H3=CPDCXC 4.82E+13 0.0 0.0 !PITZ2001
!
!
!CH3CY24PD
!
CH3CY24PD+OH=H2O+CH2CY24PD 1.63E+08 1.42 1451.0 !MM TEST
CH3CY24PD+CH3=CH4+CPDJCH3 2.50E+11 0.0 5000.0 !PITZ2001
(The position of the radical site changes continuosly)
CH3CY24PD+CH3=CH4+CH2CY24PD 2.50E+11 0.0 6000.0 !PITZ2001
(The position of the radical site changes continuosly)
CH3CY24PD+H=H2+CH2CY24PD 1.20E+14 0.0 8000.0 !PITZ2001
!
!
CY13PD5J+CH3=H+CH2CY24PD 6.25E+48 -10.44 19130.0 !(The
recombination of the radical leads directly to the formation of the precursor of
fulvene)
!!!REV/ 1.00E+14 0.0 0.0 /
!CH2CY24PD=H+FULVENE 1.00E+14 0.0 20000.0 !MM TEST
H+FULVENE=CH2CY24PD 6.250E+11 0.510 2.620E+03 !WJP: analogy to H+iC4H8=iC4H9 from
Curran IJCK 2004
!!!REV/ 1.00E+14 0.0 0.0 /
!
!
!
!
CH3CY24PD+OH=H2O+CPDJCH3 1.63E+08 1.42 1451.0 !MM TEST
CPDJCH3=H+C6H6 1.00E+14 0.0 30000.0 !MM TEST
!
!
CY13PD5J+C3H6=CPDCXC+CH3 1.49E+11 -0.06 29790.0 !PITZ2001
CY13PD5J+C3H4-P=STYR+H 1.49E+11 -0.06 29790.0 !MM
!
!
!
!
!
!
!
!C6H6+C2H3=STYR+H 7.94E+11 0.0 6400.0 !PITZ2001
CYC6H7=C6H6+H 3.00E+13 0.0 28400.0 !MM
1985DEA4600-4608
CYC6H7+H=C4H6+C2H2 6.50E+13 0.0 0.0 !PITZ2001
CYC6H7=LINC6H7 3.00E+13 0.0 46400.0 !PITZ2001
LINC6H7=NC4H5+C2H2 5.50E+14 0.0 41000.0 !PITZ2001
!
!
!
!RING OPENING
!
CY13PD5J+O=NC4H5+CO 1.51E+14 -0.29 350.0 !
!
!
!
CY13PD5J+O=CYC5H5OJ 3.20E-08 4.71 -12990.0 !PITZ2001
!
!
!
!
!
!
!
BICPD+H=BICPDJ+H2 1.30E+06 2.4 4471.0 !PITZ2001
BICPD+H=C10H9+H2 0.20E+06 2.4 4471.0 !MM TEST
BICPD+O2=BICPDJ+HO2 4.00E+13 0.0 37150.0 !PITZ2001
BICPD+OH=BICPDJ+H2O 3.12E+06 2.00 -298.0 !PITZ2001
BICPD+O=BICPDJ+OH 6.03E+10 0.7 7633.0 !PITZ2001
BICPD+HO2=BICPDJ+H2O2 4.00E+12 0.0 15900.0 !PITZ2001
BICPD+CH3=BICPDJ+CH4 1.80E-01 4.0 0.0 !PITZ2001
BICPD+CY13PD5J=BICPDJ+CY13PD 7.900E+10 0.00 1.240E+04 !MM
BICPDJ=NAPH+H 1.00E+14 0.0 40000.0 !PITZ2001
3.00E+11 0.0 20000.0 !!!!
BICPDJ+O2=NAPH+HO2 3.00E+11 0.0 20000.0 !PITZ2001
!
!
!
CXCCXCC+H=C4H6+CH3 5.20E+71 -16.38 51060.0 !PITZ2001
CXCCXCC+H=CXCCXCCJ+H2 7.00E+06 2.00 5000.0 !
ALZUETA19982000
CXCCXCC+OH=CXCCXCCJ+H2O 7.00E+06 2.00 0.0 !
ALZUETA19982000
CXCCJCXC=CXCCXCCJ 5.35E+11 -0.7 60.0 !
PITZ2001 !!!!(TO BE CANCELLED ????)
CXCCJCXC+O2=C2H3CHO+CH2CHO 1.20E+36 -7.25 33600.0 !
ALZUETA19982000
CXCCXCCJ+O2=C2H3CHCHO+CH2O 8.16E+10 0.18 9140.0 !PITZ2001
CXCCXCCJ+H=CXCCXCC 2.33E+20 -1.6 3020.0 !PITZ2001
CXCCXCCJ+H=NC4H5+CH3 2.91E+26 -2.18 36770.0 !PITZ2001
CXCCXCCJ+OH=CXCCXCCOH 1.50E+13 0.0 0.0 !
ALZUETA19982000
CXCCXCCJ+O=C2H3CHO+C2H3 2.00E+14 0.0 0.0 !
ALZUETA19982000
CXCCXCCJ+HO2=C2H3CHO+C2H3+OH 8.00E+12 0.0 0.0 !
!
!
!
!CPDOOH=CYC5H5OJ+OH 1.00E+16 0.00 39000.0
CPDOOH=CYC5H5OJ+OH 2.00E+16 0.00 43000.0 !WJP:
reaction rate rule for rooh=ro+oh
REV/ 1.0e15 -0.8 0.0 / ! WJP: Est. (kr from thermo above collisional.)
!
!
!
CYPDONE+H=CO+NC4H5 2.13E+61 -13.27 40810.0 !PITZ2001
CYPDONE+H=OXCJCXCCXC 1.60E+65 -14.94 36980.0 !PITZ2001
CYPDONE+O=CJXCCXCXO+HCO 1.0E+13 0.0 2000.0 !PITZ2001
!!!CYPDONE+OH=C2H3CHCHO+CO 1.0E+13 0.0 0000.0 !
CYPDONE+OH=C3H4-A+HCO+CO 1.0E+13 0.0 0000.0
!
!
CYPDONE+OH=H2O+CPDJONE 5.30E+07 1.42 1451.0 !PITZ2001
CYPDONE+O=CPDJONE+OH 1.40E+13 0.0 14700.0 !PITZ2001
!
!
CYPDONE=C2H2+C2H2+CO 5.70E+32 -6.76 68500.0 !PITZ2001
!
!
CPDJONE+O2=CO2+CJXCCXCXO 9.67E+58 -13.47 38180.0 !PITZ2001
CPDJONE=>C2H2+CO+C2H 2.00E+13 0.0 51000.0 !PITZ2001
!
!
!
C4H6+OH=NC4H5+H2O 1.800E+06 2.00 2.500E+03 !MM VINYLIC
8.43E+12 0.0 -874.0 !PITZ2001
C4H6+O2<=>NC4H5+HO2 4.00E+13 0.00 5.820E+04 !MM similar
to c2h3+ho2
!
!
NC4H5+C2H4=C4H6+C2H3 6.31E+11 0.00 7800.0 !PITZ2001
NC4H5+H2=H+C4H6 3.90E+09 0.50 3704.0 !PITZ2001
NC4H5+CH2O=C4H6+HCO 5.42E+03 2.81 5860.0 !MM
NC4H5+H=C4H6 1.13E+45 -9.05 15830.0 !PITZ2001
NC4H5+H=C2H3+C2H3 3.91E+46 -8.66 32250.0 !PITZ2001
NC4H5=C2H2+C2H3 1.00E+14 0.0 43890.0 !PITZ2001
NC4H5+O2=C2H3CHO+HCO 3.32E+24 -3.67 6190.0 !PITZ2001
!!!!!NC4H5+CH3=C5H81-3 5.00E+13 0.0 0.0 !MM
NC4H5+C2H2=C6H6+H 1.39E+16 -1.00 8900.0
!2007SEN/MIL3740-3747
NC4H5+C6H6=C10H10+H 1.00E+12 0.00 10000.0 !
!
C2H3+C4H4=C6H6+H 1.39E+16 -1.00 8900.0
!
NC4H5=C4H4+H 1.00E+14 0.0 40000.0 !MM (????)
C4H4+O=HCCO+C2H3 1.00E+13 0.0 0.0 !PITZ2001
!!!!C4H4+OH=NC4H3+H2O 1.00E+13 0.0 5675.00 !!
C4H4+OH=CH2CO+C2H3 3.00E+13 0.0 0.0 !MM
!!!!C4H4+H=NC4H3+H2 5.00E+13 0.0 14130.00 !
Literature review 1988GHI/COL5839 + Milano
! WJP: reverse rate above collisional for T<1800K. Remove:
!C4H4+CH3=C3H4-P+C2H3 1.00E+13 0.0 6000.0 !MM
C4H4+C2H2=C6H6 4.47E+11 0.0 3.00E+04
!1986CHA/HEI701
CXCCXCCOH+H=C4H6+CH2OH 2.50E+34 -6.12 16250.0 !
ALZUETA19982000
! WJP: Reverse rate above collisonal. Make reaction one way. Reaction occurs in 2
steps:
C2H3CHCHO+HO2=>C2H3CHO+HCO+OH 3.50E+12 0.00 -1000.0 !PITZ2001
C2H3CHCHO+HO2=HCOHCO+C2H3+OH 3.50E+12 0.00 -1000.0 !PITZ2001
C2H3CHCHO=>C3H5-A+CO 2.93E12 0.29 4.03E04 !WJP: analogy with ch2cho=ch3+co
http://kinetics.nist.gov/kinetics/Detail?id=2006SEN/KLI5772-5781:2
!C2H3CHCHO=C3H5-A+CO 6.10E+05 0.92 -1120.0 !
ALZUETA19982000
!WJP: Products not probable:
!C2H3CHCHO=C3H4-A+HCO 6.10E+05 0.92 -1120.0 !
ALZUETA19982000
C2H3CHCHO+O2=C2H3CHO+OCHO 1.20E+36 -7.25 33600.0 !
ALZUETA19982000
C2H2+HCCO=CJXCCXCXO 3.16E+11 0.0 6000.0 !PITZ2001
CXOCCCJCXO+O2=CXOCCCXO+OCHO 6.29E+05 1.65 17480.0 !PITZ2001
OXCCXCCXCJ=C2H2+CJXCCXO 3.00E+13 0.0 43710.0 !PITZ2001
OXCCXCCXCJ=OXCJCXCCXC 1.25E+10 0.00 2.085E+04 !ANALOGy with
NC7 !!MM
OXCCXCCXCJ+O2=OXCCXCCXO+HCO 5.42E+12 0.0 0.0 !PITZ2001
OXCCXCCJCXO+O2=HCOHCO+CXOCJCXO 2.78E+08 -0.07 13940.0 !PITZ2001
OXCCXCCJCXO+O2=OXCCXCCXO+OCHO 1.62E+09 -0.03 18800.0 !PITZ2001
OXCCXCCJCXO+H=CXOCXCCJ+HCO 2.18E+58 -12.39 33110.0 !PITZ2001
OXCJCXCCCXO+O2=CXOCCJCXO+CO2 1.00E+30 -5.43 16210.0 !PITZ2001
OXCJCXCCCXO+O2=CYC4H5O21+CO2 1.90E+36 -7.7 13760.0 !PITZ2001
OXCJCXCCCXO+O2=CXCCCO2J+CO2 2.24E+11 -1.07 8880.0 !PITZ2001
CXOCCXCJ+CO=OXCJCXCCCXO 1.50E+11 0.00 4800.0 !PITZ2001
OXCJCXCCCXO+O=CXOCCXCJ+CO2 1.50E+14 0.0 0.0 !PITZ2001
OXCJCXCCXC=NC4H5+CO 3.47E12 0.63 27210.0
!2008HUY/VIO94-101
! WJP: remove reactions. These were just "trys":
!OXCJCXCCXC+O=NC4H5+CO2 1.00E+10 0.0 0.0 !PITZ2001
! WJP: reverse rate exceeds collisional. Remove the rxn that was a "try":
!OXCJCXCCXC+H=NC4H5+HCO 1.00E+12 0.0 0.0 !PITZ2001
OXCCXCCXO+H=OXCCXCCJXO+H2 2.64E+13 0.00 3300.0 !PITZ2001
OXCCXCCXO+O=OXCCXCCJXO+OH 1.19E+13 0.00 1868.0 !PITZ2001
OXCCXCCXO+OH=OXCCXCCJXO+H2O 1.85E+07 1.5 -960.0 !PITZ2001
OXCCXCCXO+CH3=OXCCXCCJXO+CH4 5.22E+06 1.78 5911.0 !PITZ2001
OXCCXCCXO+HO2=OXCCXCCJXO+H2O2 6.02E+12 0.00 11930.0 !PITZ2001
OXCCXCCXO+CH3O2=OXCCXCCJXO+CH3O2H 6.02E+12 0.00 11930.0 !PITZ2001
CJXCCXO+CO=OXCCXCCJXO 1.51E+11 0.0 4810.0 !PITZ2001
CXOCXCCJ+O2=CH2O+CXOCJCXO 7.18E+49 -11.41 39820.0 !PITZ2001
CXOCXCCJ+O=HCO+C2H3CHO 1.00E+14 0.0 0.0 !PITZ2001
CXCCCO2J=C3H5-A+CO2 1.00E+13 0.0 6000.0 !PITZ2001
CXOCCJCXO+O2=CXOCCXO + OCHO 6.29E+05 1.65 17480.0 !PITZ2001
CXOCCJCXO=C2H3CHO+HCO 1.44E+34 -6.77 33260.0 !PITZ2001
CXOCCJCXO=CYC4H5O21 3.34E+05 1.41 36780.0 !PITZ2001
CXOCCCXO+H=H2+CXOCCCJXO 2.29E+10 1.05 3279.0 !PITZ2001
CXOCCCXO+OH=H2O+CXOCCCJXO 3.49E+09 1.18 -447.0 !PITZ2001
CXOCCCJXO+O2=C2H4+DHCO2J 1.61E+45 -9.92 20670.0 !PITZ2001
CH2CH2CHO+CO=CXOCCCJXO 1.50E+11 0.00 4800.0 !PITZ2001
CXOCCXCJ+O2=C2H3CHO+OCHO 1.47E+03 2.25 650.0 !PITZ2001
CXOCCXCJ+O2=CXOCCXO+HCO 5.42E+12 0.0 0.0 !PITZ2001
CXCCXCXO+OH=CJXCCXCXO+H2O 2.02E+13 0.0 5933.0 !PITZ2001
CXCCXCXO+C6H5=CJXCCXCXO+C6H6 2.02E+13 0.0 8933.0 !PROVA
CXCCXCXO+O=C2H3CHO+CO .32E+14 -0.34 4674.0 !PROVA
CXCCXCXO+H=CXCCCJXO 1.69E+07 1.03 -550.0 !PITZ2001
CXCCXCXO+H=C3H5-A+CO 6.60E+13 -0.02 2740.0 !PITZ2001
CXCCCJXO=CO+C3H5-A 6.12E+05 0.92 -1120.0 !PITZ2001
!
!
CXOCCXO+O=CH2CHO+OCHO 6.00E+12 0.0 0.0 !PITZ2001
!
! WJP 2009-09-25 removed duplicate rxns:
!CXOCCXO+OH=H2O+CH2CO+HCO 1.720E+05 2.400 8.150E+02
!CXOCCXO+H=H2+CH2CO+HCO 2.370E+13 0.000 3.642E+03
!CXOCCXO+HO2=H2O2+CH2CO+HCO 3.010E+12 0.000 1.192E+04
!CXOCCXO+O2=HO2+CH2CO+HCO 3.010E+13 0.000 3.915E+04
!
!
CXOCCXO+OH=>H2O+CH2CO+HCO 2.764E+04 2.640 -1.919E+03 !WJP: Rxn
occurs in 2 steps => make one direction only.
CXOCCXO+H=>H2+CH2CO+HCO 3.376E+05 2.360 2.070E+02 !WJP: Rxn
occurs in 2 steps => make one direction only.
CXOCCXO+HO2=>H2O2+CH2CO+HCO 4.820E+03 2.550 1.053E+04 !WJP: Rxn
occurs in 2 steps => make one direction only.
CXOCCXO+O2=>HO2+CH2CO+HCO 2.000E+13 0.000 3.719E+04 !WJP: Reverse
rate exceeds collional. Rxn occurs in 2 steps => make one direction only.
!
!
CXOCJCXO+O2=HCOHCO+OCHO 4.12E+13 -0.46 21710.0 !PITZ2001
!
!
CJXCCXO=C2H3CO 1.40E+09 0.98 32100.0 !PITZ2001
C2H2+HCO=CJXCCXO 7.77E+06 1.41 7755.0 !PITZ2001
CJXCCXO+O2=HCOHCO+HCO 5.42E+12 0.0 0.0 !PITZ2001
C3H5-A+OH=C3H4-A+H2O 6.03E+12 0.0 0.0 !PITZ2001
DHCO2J=CO2+OCHO 3.00E+13 0.0 4000.0 !PITZ2001
CXOCJOH+O2=OCHO+HOCHO 2.82E+22 -3.68 11660.0 !PITZ2001
!WJP: Reverse rate from thermo exceeds collisional. => specify reverse rate.
!HCOHCO=HCO+HCO 9.01E+14 0.0 64100.0 !PITZ2001
HCO+HCO=HCOHCO 6.0e12 0.0 -1000.0 !WJP: estimate based on
http://kinetics.nist.gov/kinetics/Detail?id=1985STO/SCH135:1.
!WJP: reverse rate above collisional:
! keep rates in both directions until thermo is checked:
!HCOHCO+O2=HO2+HCOCJXO 6.03E+13 0.0 39900.0 !PITZ2001
HCOHCO+O2<=>HO2+HCOCJXO 8.07E+15 0.0 5.342E+04 !WJP:
analogy with CH2O+O2=HCO+HO2
REV/ 2.50E+14 -0.061 13920.0 /
HCOHCO+OH=H2O+HCOCJXO 3.43E+09 1.18 -447.0 !PITZ2001
HCOHCO+O=OH+HCOCJXO 4.16E+11 0.57 2762.0 !PITZ2001
HCOHCO+H=H2+HCOCJXO 2.29E+10 1.05 3279.0 !PITZ2001
HCOCJXO+O2=OCHO+CO2 7.27E+25 -3.97 6890.0 !PITZ2001
HCOCJXO=CO+HCO 4.20E+12 0.0 10800.0 !PITZ2001
OCHO+O=OH+CO2 6.00E+12 0.0 0.0 !PITZ2001
OCHO+OH=H2O+CO2 6.00E+12 0.0 0.0 !PITZ2001
! Duplicate reaction with OCHO+M<=>H+CO2+M 5.318E+14 -0.353 1.758E+04
!OCHO=CO2+H 1.75E+12 0.307 32920.0 !PITZ2001
C3H3+C3H3=C6H5+H 3.67E+26 -3.88 28960.0 !PITZ2001
C3H3+C3H3=FULVENE 1.26E+56 -12.61 23520.0 !PITZ2001
!!!!C3H3+C3H3=CXCC(C#C)XC 1.48E+55 -12.30 23620.0 !
PITZ2001
C3H3+C3H3=C6H6 3.89E+50 -11.01 20320.0 !PITZ2001
!
!
!
!
CYC5H8+H=CYC5H9 4.11E+47 -11.49 8490.0 !PITZ2001
CYC5H8+H=C3H5-A+C2H4 1.28E+27 -4.07 11800.0 !PITZ2001
CYC5H8=CYC5H7U1+H 5.00E+15 0.0 84170.0 !PITZ2001
CYC5H7U1+H2=CYC5H8+H 1.08E+05 2.38 19000.0 !PITZ2001
CYC5H7U1+O2=CXOCCCJCXO 8.00E+24 -3.8 20000.0 !PITZ2001
CYC5H7U1=CXCCXCCJ 3.20E+15 0.0 39500.0 !
ALZUETA19982000
!
!
!
!
CYC5H5OH+HO2=H2O2+CYC5H4OH 3.61E+03 2.55 10531.0 !PITZ2001
CYC5H5OH+HO2=H2O2+CYC5H5OJ 1.00E+13 0.0 15800.0 !PITZ2001
CYC5H5OH+OH=H2O+CYC5H4OH 5.48E+12 0.0 1731.0 !PITZ2001
CYC5H5OH+OH=H2O+CYC5H5OJ 1.00E+13 0.0 1697.0 !PITZ2001
CYC5H5OH+O=OH+CYC5H4OH 4.17E+11 0.0 0.0 !PITZ2001
CYC5H5OH+O=OH+CYC5H5OJ 1.00E+13 0.0 4683.0 !PITZ2001
CYC5H5OH+H=H2+CYC5H4OH 3.15E+12 0.0 0.0 !PITZ2001
CYC5H5OH+H=H2+CYC5H5OJ 4.00E+13 0.0 6094.0 !PITZ2001
CYC5H4OH=CYPDONE+H 1.00E+13 0.0 47450.0 !PITZ2001
CYC5H5OJ=NC4H5+CO 1.07E+79 -19.62 66250.0 !PITZ2001
CYC5H5OJ=OXCCXCCXCJ 3.00E+13 0.0 33000.0 !emdee -
Butler !!???
CYC5H5OJ=CYPDONE+H 1.000E+14 0.00 3.500E+04 !!! 1.000E+14
0.00 2.910E+04 !!C3H5O=C2H3CHO !!!!!!2.94E+32 -6.5 21220.0 !
PITZ2001 !!!!!!!CHECK!!!
!!!!!!!!C5H5O1_1=CYPDONE+H 2.94E+32 -6.5 21220.0 !
PITZ2001
!
!
!
!RECOMBINATION REACTIONS
C6H5CH2J+IC4H7=CR1 1.00E+13 0.0 0.0 !
RECOMB.
CR1+H=CR2+H2 3.16E+12 0.00 0.0 !EQUAL
TO C14H14+H
CR1+OH=CR2+H2O 7.00E+10 1.00 -1100.0 !EQUAL
TO C14H14+OH
CR1+O=CR2+OH 8.40E+11 0.00 -2000.0 !EQUAL
TO C14H14+O
STYR+C3H5-T=CR2 1.00E+13 0.0 0.0 !
RECOMB.
!DISPLACEMENT REACTIONS OF PHENYL RADICAL WITH ALKENE
!
!
!SUBSTITUTIONS
!
P-XYL+H=C6H5CH3+CH3 1.40E+06 2 943
!
!
!ABSTRACTIONS --> BENZYL
!
!
P-XYL+O2=PXYLCH2J+HO2 4.36E+07 2.5 46045
P-XYL+H=PXYLCH2J+H2 1.29E+01 3.98 3384
P-XYL+O=PXYLCH2J+OH 1.20E+11 0.7 7632
P-XYL+OH=PXYLCH2J+H2O 3.54E+05 2.394 -601.8
P-XYL+HO2=PXYLCH2J+H2O2 1.40E+03 3 12000
P-XYL+CH3O2=PXYLCH2J+CH3O2H 2.04E+04 2.5 12339.3
P-XYL+CH3=PXYLCH2J+CH4 4.42E+00 3.5 5.68E+03
P-XYL+CH3O=PXYLCH2J+CH3OH 4.24E+10 0 3000
P-XYL+C2H3=PXYLCH2J+C2H4 4.42E+00 3.5 4680
P-XYL+HCO=PXYLCH2J+CH2O 7.54E+13 0 23787.4
P-XYL+C6H5CH2OJ=PXYLCH2J+C6H5CH2OH 3.20E+11 0 11100
P-XYL+C6H5CH2OOJ=PXYLCH2J+C6H5CH2OOH 2.04E+03 2.5 12339.3
P-XYL+C6H4CH3=PXYLCH2J+C6H5CH3 1.59E+13 0 11949
P-XYL+OC6H4CH3=PXYLCH2J+HOC6H4CH3 3.20E+11 0 15100
!
!CONTINUARE DA QUI
!
!BENZYL OXYDATION
!
!
PXYLCH2J=C6H6+C2H2+H 1.000E+13 0.00 70000.0 !!!!!MM AGGIUNTO
IL 8 SEP X DATI PYRO 5.000E+12 0.00 70000.0
!
!
!
PXYLCH2J+O2=PXYLCH2OOJ 1.382E+41 -9.44 9020.0 !MURAKAMI2007
PXYLCH2OOJ=MEC6H4CHO+OH 4.000E+76 -19.96 64725.0 !MURAKAMI2007
PXYLCH2OOJ=OC6H4CH3+CH2O 1.700E+76 -19.96 64725.0 !MURAKAMI2007
!
!
PXYLCH2OOJ+H=PXYLCH2OOH 1.00E+14 0.00 0.0 !
BOUNACEUR2005
PXYLCH2OOJ+HO2=PXYLCH2OOH+O2 2.00E+11 0.00 0.0 !
BOUNACEUR2005
PXYLCH2OOJ+HO2=>MEC6H4CH2OJ+OH+O2 6.30E+10 0.00 -720.0!!!!!!!MM
ADDED !BOUNACEUR2005 CORRECTED ACCORDING TO TC4H9O2+HO2 TO BE !REVISED!!!
PXYLCH2OOJ+CH3O2=>MEC6H4CH2OJ+CH3O+O2 6.30E+10 0.00 -720.0!!!!!!!MM
ADDED !BOUNACEUR2005 TO BE !REVISED!!!
2PXYLCH2OOJ=>2MEC6H4CH2OJ+O2 6.30E+10 0.00 -720.0 !
BOUNACEUR2005
!!!!!!!!!!!2PXYLCH2OOJ=>MEC6H4CH2OH+MEC6H4CH2OJ+O2 6.30E+10 0.00 -
720.0 !BOUNACEUR2005
PXYLCH2OOH=MEC6H4CH2OJ+OH 1.00E+16 0.00 39000.0 !!!!
1.50E+16 0.00 42000.0 !Modified according to latest nc7
REV/ 1.0e15 -0.8 0.0 / ! WJP: Est. (kr from thermo above collisional.)
PXYLCH2J+O=MEC6H4CH2OJ 2.00E+13 0.00 0.0 !PITZ2001
PXYLCH2J+O=MEC6H4CHO+H 1.51E+13 0.00 0.0 !!!!!MM
1984BRE/LIT1053 P!REVIOUS 2.11E14
PXYLCH2J+O=C6H4CH3+CH2O 1.19E+14 0.00 0.0 !!!!!MM
P!REVIOUS 1.19E+14
PXYLCH2J+HO2=MEC6H4CH2OJ+OH 5.00E+12 0.00 0.0 !!!! !MM
0.5-->1.0 ORIGINAL REFERENCE FROM HIPPLER (confirmed by Bozzelli Symp2008)
PXYLCH2J+CH3O2=MEC6H4CH2OJ+CH3O 5.00E+12 0.00 0.0 !!!! !
WJP: analogy toPXYLCH2J+HO2=C6H5CH2OJ+OH
!
!
!REACTIONS OF C6H5CH2OH
!
!
!C6H5CH2OH+O2=HO2+C6H5CHOH 1.40E+12 0.00 34000.0
!C6H5CH2OH+O2=HO2+C6H5CH2OJ 2.00E+14 0.00 55400.0 !MM O2
ABSTRACTION ON ALKYL HYDROGEN OCCUR WITH AE>50000... OH SHOULD BE EVEN HIGHER!
!C6H5CH2OH+OH=C6H5OH+CH2OH 2.61E+14 -0.67 1710.0 !PITZ2001
!C6H5CH2OH+OH=C6H5CHOH+H2O 3.90E+09 1.00 -1100.0
!C6H5CH2OH+OH=C6H5CH2OJ+H2O 3.90E+09 1.00 -1100.0
!C6H5CH2OH+H=C6H6+CH2OH 5.30E+13 0.00 8100.0
!C6H5CH2OH+H=C6H5CHOH+H2 4.30E+00 3.98 3384.0 !!LIKE TOLUENE
2/3
!!!C6H5CH2OH+H=C6H5CH2OJ+H2 5.360E+04 2.530 4.405E+03 !LIKE
C2H5OH+H
!C6H5CH2OH+O=C6H5CHOH+OH 4.20E+11 0.00 -2000.0
!C6H5CH2OH+O=C6H5OJ+CH2OH 1.70E+13 0.00 3600.0
!C6H5CH2OH+O=C6H5CH2OJ+OH 4.20E+11 0.00 -2000.0
!C6H5CH2OH+HO2=C6H5CHOH+H2O2 2.70E+11 0.00 12000.0
!C6H5CH2OH+HO2=C6H5CH2OJ+H2O2 2.70E+11 0.00 12000.0
!C6H5CH2OH=C6H5CH2OJ+H 5.00E+13 0.00 104069.0 !ESTIMATE
FROM THERMCHEM
!C6H5CH2OH=C6H5+CH2OH 5.00E+13 0.00 101225.0 !ESTIMATE
FROM THERMCHEM
!C6H5CHOH=C6H5CHO+H 5.00E+13 0.00 42000.0 !!! OLD
2.00E+14 0.00 23300.0: Modifified in analogy to CH2O+H
!C6H5CHOH+O2=C6H5CHO+HO2 3.810E+06 2.00 1.641E+03 !MM THIS IS
THE RATE ADOPTED FOR ETHANOLV RESULTS DON'T change
!C6H5CHOH+H=C6H5CH2OH 1.00E+14 0.00 0.0
!C6H5CHOH+OH=C6H5CHO+H2O 3.44E+09 1.18 -447.0
!
!
!
MEC6H4CH2OJ+O2=HO2+MEC6H4CHO 6.60E+10 0.00 2.200E+03 !!TSA
CH3O+O2
!
MEC6H4CH2OJ=MEC6H4CHO+H 1.000E+14 0.00 2.910E+04 !!!MM
2003RAU/BOY431-442
MEC6H4CH2OJ=C6H4CH3+CH2O 1.464E+20 -1.97 3.509E+04 !!!MM
MEC6H4CH2OJ+H=MEC6H4CHO+H2 4.00E+13 0.0 0.00
MEC6H4CH2OJ+OH=MEC6H4CHO+H2O 2.00E+13 0.0 0.00
MEC6H4CH2OJ+HO2=MEC6H4CHO+H2O2 2.00E+13 0.0 0.00
MEC6H4CH2OJ+CH3=MEC6H4CHO+CH4 2.00E+13 0.0 0.00
MEC6H4CH2OJ+PXYLCH2J=MEC6H4CHO+P-XYL 1.00E+13 0.0 0.00
!
!
!
!
!BENZALDEHYDE
!
C6H4CH3+HCO=MEC6H4CHO 5.00E+12 0.00 0.0 !
BOUNACEUR2005
MEC6H4CHO+OH=H2O+MEC6H4CJO 3.44E+09 1.18 -447.0 !PITZ2001
MEC6H4CHO+H=H2+MEC6H4CJO 7.470E+00 3.98 1384.0 !!!!LIKE
TOLUENE 2000 BONUS ACYLIC PREV 2.28E+10 1.05 3279.0 !PITZ2001
MEC6H4CHO=MEC6H4CJO+H 4.00E+15 0.00 83700.0 !
BOUNACEUR2005
MEC6H4CHO+O=MEC6H4CJO+OH 6.00E+12 0.00 1800.0 !
BOUNACEUR2005
MEC6H4CHO+O2=MEC6H4CJO+HO2 7.00E+11 0.00 39500.0 !
BOUNACEUR2005
MEC6H4CHO+HO2=MEC6H4CJO+H2O2 7.00E+02 3.00 10000.0 !Like
toluene
MEC6H4CHO+CH3=MEC6H4CJO+CH4 2.00E-06 5.60 1500.0 !
BOUNACEUR2005
!
!
MEC6H4CHO+C6H5=MEC6H4CJO+C6H6 2.0E+1 3.51 3743.00 !!!NIST
CH2O+C2H3 1.30E+11 0.00 11500.0 !BOUNACEUR2005
!
!
MEC6H4CHO+PXYLCH2J=MEC6H4CJO+P-XYL 1.60E+12 0.0 13100.0 !!!!
1.26E+08 1.9 18200.0 !!TSA
!C6H5CHO+PXYLCH2J=C6H5CJO+P-XYL 2.8E+03 2.81 5773.00 !!!!MILANO
(better agreement with 1991TSA221-273 CH2O+C3H5-A) 1.30E+11 0.00 11500.0 !
BOUNACEUR2005
!
!
MEC6H4CJO=C6H4CH3+CO 1.370E+21 -2.179 3.941E+04 !MM like
c2h3co=c2h3+co 3.00E+12 0.00 34860.0 !PITZ2001
!
MEC6H4CJO+HO2=C6H4CH3+CO2+OH 10.0E+12 0.0 0.0 !!TEST
!
!
!
!
!
!ABSTRACTIONS --> PHENyL
!
P-XYL+H=MEC6H3CH3+H2 1.899E+07 2.0 9696.0 !ELLIS2003
P-XYL+O=MEC6H3CH3+OH 2.000E+13 0.0 14700.0 !
BOUNACEUR2005
P-XYL+OH=MEC6H3CH3+H2O 23.37E+03 2.68 730.0 !Like Benzene
P-XYL+CH3=MEC6H3CH3+CH4 1.700E+00 3.7 9500.0 !Pitz est
based on Tsang's c2h4+ch3 matched to 2006HEM/VAN13624-13631 4.37E-04 5.00
12300.0 !Sivaramakrishnan 2006
P-XYL+HO2=MEC6H3CH3+H2O2 9.200E+12 0.00 28810.0 !BAULCH1994
!
!
!
!
!
!PHENYL OXYDATION
!
MEC6H3CH3+O2=>O2MEC6H3CH3 1.0E+13 0.0 0.0 ! LIKE
BENZENE
O2MEC6H3CH3=>MEC6H3CH3+O2 6.36E19 -1.37 4.87E04 !TEST
!MEC6H3CH3+O2=O2MEC6H3CH3 2.35E+160 -45.03 60240.0 !
SILVA2007
MEC6H3CH3+O2=OMEC6H3CH3+O 7.27E+29 -4.72 15600.0 !SILVA2007
!
O2MEC6H3CH3=>OMEC6H3CH3+O 1.64E+43 -8.82 50880.0 !
SILVA2007!!!!!PROBLEMA THERMAL SEGATE!!!!
OMEC6H3CH3+O=>O2MEC6H3CH3 2.00E+14 0.0 0.0 !!
!
!SILVA
!
!!!!!MEC6H3CH3+O2=OC6H4CH2+OH 4.35E+23 -3.36 8980.0 !
SILVA2007
!!!!!MEC6H3CH3+O2=RODC6J(C)DO 1.024E+25 -3.54 8780.0 !
SILVA2007
!!!!!O2MEC6H3CH3=OMEC6H3CH2+OH 5.35E+43 -9.50 43440.0 !
SILVA2007
!!!!!O2MEC6H3CH3=RODC6J(C)DO 6.64E+46 -10.16 44320.0 !
SILVA2007
!
OMEC6H3CH3=H+C6H5CH3+CO 7.6E+11 0.0 43800.0 !BOUNACEUR2005
!!!!!OMEC6H3CH3+HO2=OC6H4O+CH3+OH 7.6E+11 0.0 43800.0 !
BOUNACEUR2005
!
!
MEC6H3CH3+H=PXYLCH2J+H 1.0E+13 0.0 0.0 !
BOUNACEUR2005
MEC6H3CH3+O=OMEC6H3CH3 1.0E+14 0.0 0.0 !
BOUNACEUR2005
MEC6H3CH3+OH=HOMEC6H3CH3 3.0E+13 0.0 0.0 !
BOUNACEUR2005
MEC6H3CH3+HO2=OMEC6H3CH3+OH 5.0E+12 0.0 0.0 !
BOUNACEUR2005
!!
OMEC6H3CH3+H=HOMEC6H3CH3 2.5E+14 0.0 0.0 !
1E+14BOUNACEUR2005 !!!!MM Like Phenoxy+h
!
HOMEC6H3CH3+O2=OMEC6H3CH3+HO2 1.0E+13 0.0 38900.0 !BOUNACEUR2
HOMEC6H3CH3+H=HOC6H4CH3+CH3 5.8E+13 0.0 8100.0 !
BOUNACEUR2005
HOMEC6H3CH3+H=OMEC6H3CH3+H2 1.2E+14 0.0 12400.0 !BOUNACEUR200
HOMEC6H3CH3+O=OMEC6H3CH3+OH 1.3E+13 0.0 2900.0 !BOUNACEUR200
HOMEC6H3CH3+OH=OMEC6H3CH3+H2O 1.4E+08 1.4 -960.0 !BOUNACEUR20
HOMEC6H3CH3+HO2=OMEC6H3CH3+H2O2 1.0E+12 0.0 10000.0 !
BOUNACEUR2005
HOMEC6H3CH3+CH3=OMEC6H3CH3+CH4 1.8E+11 0.0 7700.0 !BOUNACEUR2
HOMEC6H3CH3+C6H5=OMEC6H3CH3+C6H6 4.9E+12 0.0 4400.0 !
BOUNACEUR2005
HOMEC6H3CH3+CY13PD5J=OMEC6H3CH3+CY13PD 4.9E+11 0.0 9400.0 !
BOUNACEUR2005
HOMEC6H3CH3+C6H5OJ=OMEC6H3CH3+C6H5OH 4.9E+11 0.0 9400.0 !
BOUNACEUR2005
!
!
!!!MISSING SPECIES
!!!!!!HOMEC6H3CH3+O2=HOMEC6H3CH2+HO2 2.1E+12 0.0 39700.0 !
BOUNACEUR2
!!!!!!HOMEC6H3CH3+H=HOC6H4CH2+H2 1.2E+14 0.0 8400.0 !
BOUNACEUR2005
!!!!!!HOMEC6H3CH3+O=HOC6H4CH2+OH 6.3E+11 0.0 0.0 !
BOUNACEUR2005
!!!!!!HOMEC6H3CH3+OH=HOC6H4CH2+H2O 5.2E+09 1.0 870.0 !
BOUNACEUR2005
!!!!!!HOMEC6H3CH3+HO2=HOC6H4CH2+H2O2 4.0E+11 0.0 14000.0 !
BOUNACEUR2005
!!!!!!HOMEC6H3CH3+CH3=HOC6H4CH2+CH4 1.6E+12 0.0 11100.0 !
BOUNACEUR2005
!!!!!!HOMEC6H3CH3+C3H3=HOC6H4CH2+C3H4-P 1.6E+12 0.0 15100.0 !
BOUNACEUR2005
!!!!!!HOMEC6H3CH3+CY13PD5J=HOC6H4CH2+CY13PD 1.6E+11 0.0 15100.0 !
BOUNACEUR2005
!!!!!!HOMEC6H3CH3+C6H5=HOC6H4CH2+C6H6 7.9E+13 0.0 12000.0 !
BOUNACEUR2005
!!!!!!HOMEC6H3CH3+C6H5OJ=HOC6H4CH2+C6H5OH 1.6E+11 0.0 15100.0 !
BOUNACEUR2005
!!!!!!HOMEC6H3CH3+MEC6H3CH3=HOC6H4CH2+P-XYL 7.9E+13 0.0 12000.0 !
BOUNACEUR2005
!!!!!!HOMEC6H3CH3+OMEC6H3CH3=HOC6H4CH2+HOMEC6H3CH3 1.6E+11 0.0 15100.0
!BOUNACEUR2005
!!!!!!HOMEC6H3CH3+C6H5CH2OOJ=HOC6H4CH2+C6H5CH2OOH 4.0E+11 0.0 14000.0 !
BOUNACEUR2005
!!!!!!HOMEC6H3CH3+C6H5CH2OJ=HOC6H4CH2+C6H5CH2OH 1.6E+11 0.0 11100.0 !
BOUNACEUR2005
!
!
!
!ADDITIONS
!
P-XYL+O=OMEC6H3CH3+H 2.48E+14 -0.34 4674.0 !!! LIKE
C6H6... 1.70E+13 0.00 4600.0 !BOUNACEUR2005 from TappeV Wagner et. al. 1989
MM +1000
!
!
!
!
!
!RECOMBINATIONS
!!!C6H4CH3+CH3=P-XYL 1.2E+06 1.96 -3700.0 !
BOUNACEUR2005
!
!
!
END