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File:C:\Users\Gui\Documents\Mestrado\P1 - completa - CH4.

EES 01/10/2018 14:17:51 Page 1


9.944: #4402: EASY ENGINEERING, https://www.youtube.com/channel/UCjC8ulmve2QNRJXhDpk-L2A+ CN xJID_JLN yNINGGBDE CJH@NYX _N

1: "----------------------------------------------------------------------------------------------------------------"
2: "CH4 + 2O2 --> aCO2 + bCO + cO2 + dH2O + eH2"
3: "----------------------------------------------------------------------------------------------------------------"
4:
5: "BC"
6: 1 = Na+Nb
7:
8: "BO"
9: 4 = 2*Na + Nb + 2*Nc + Nd
10:
11: "BH"
12: 4 = 2*Nd + 2*Ne
13:
14:
15: P_0 = Po#
16: X_CO2 = Na/N_p
17: X_CO = Nb/N_p
18: X_O2 = Nc/N_p
19: X_H2O = Nd/N_p
20: X_H2 = Ne/N_p
21:
22: N_p = Na + Nb + Nc + Nd + Ne
23:
24: Ru = R#
25:
26: row = LookupRow('gibbs';1; Tad)
27:
28: Tref = 298 [K]
29:
30: mw_CO2 = 44 [kg/kmol]
31: mw_CO = 28 [kg/kmol]
32: mw_H2O = 18 [kg/kmol]
33: mw_H2 = 2 [kg/kmol]
34: mw_O2 = 32 [kg/kmol]
35: mw_CH4 = 16 [kg/kmol]
36:
37: "-----------------------------------------------------------------------------------------------------------------"
38: "CO2 <--> CO + 1/2O2"
39: "----------------------------------------------------------------------------------------------------------------"
40:
41: kp_CO2 = (X_CO * X_O2^(1/2)) / X_CO2 * 1/P_0^(1/2 )
42:
43: kp_CO2 = exp(-Delta_G_CO2/(Ru * Tad))
44:
45: Delta_G_CO2 = gibbs_CO + gibbs_O2/2 - gibbs_CO2
46:
47:
48:
49: "-----------------------------------------------------------------------------------------------------------------"
50: "H2O<--> H2 + 1/2O2"
51: "----------------------------------------------------------------------------------------------------------------"
52:
53: kp_H2O = (X_H2 * X_O2^(1/2)) / X_H2O * 1/P_0^(1/2)
54:
55: kp_H2O = exp(-Delta_G_H2O/(Ru * Tad))
56:
57: Delta_G_H2O = gibbs_H2 + gibbs_O2/2 - gibbs_H2O
58:
59:
60:
61: gibbs_CO2 = lookup('gibbs'; row; 'CO2')
File:C:\Users\Gui\Documents\Mestrado\P1 - completa - CH4.EES 01/10/2018 14:17:51 Page 2
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62: gibbs_CO = lookup('gibbs'; row; 'CO')


63: gibbs_H2 = lookup('gibbs'; row; 'H2')
64: gibbs_H2O = lookup('gibbs'; row; 'H2O')
65: gibbs_O2 = lookup('gibbs'; row; 'O2')
66:
67:
68:
69: "-----------------------------------------------------------------------------------------------------------------"
70: "1a Lei"
71: "----------------------------------------------------------------------------------------------------------------"
72:
73:
74: h_0_CO2=enthalpy_formation(CO2)
75: h_0_H2=enthalpy_formation(H2)
76: h_0_H2O=enthalpy_formation(H2O)
77: h_0_O2=enthalpy_formation(O2)
78: h_0_CH4=enthalpy_formation(CH4)
79: h_0_CO=enthalpy_formation(CO)
80:
81: cp_CO2=lookup('cp'; row; 'CO2')
82: cp_H2=lookup('cp'; row; 'H2')
83: cp_H2O=lookup('cp'; row; 'H2O')
84: cp_O2=lookup('cp'; row; 'O2')
85: cp_CO=lookup('cp'; row; 'CO')
86:
87:
88: (h_0_CH4) + 2*(h_0_O2 ) = Na*(h_0_CO2 + cp_CO2) + Nb*(h_0_CO + cp_CO) + Nc*(h_0_O2 + cp_O2) + Nd*(h_0_H2O
+ cp_H2O) + Ne*(h_0_H2 + cp_H2)
89:
90: "-----------------------------------------------------------------------------------------------------------------"
91: "Para phi = 0,6"
92: "----------------------------------------------------------------------------------------------------------------"
93:
94: AF_st = 2*mw_O2 / mw_CH4
95:
96: 0,6 = AF_st / AF

----------------------------------------------------------------------------------------------------------------

CH4 + 2O2 --> aCO2 + bCO + cO2 + dH2O + eH2

----------------------------------------------------------------------------------------------------------------

BC

1 = Na + Nb

BO

4 = 2 · Na + Nb + 2 · Nc + Nd

BH

4 = 2 · Nd + 2 · Ne

P 0 = 101,3 [kPa]

Na
X CO2 =
Np
File:C:\Users\Gui\Documents\Mestrado\P1 - completa - CH4.EES 01/10/2018 14:17:51 Page 3
9.944: #4402: EASY ENGINEERING, https://www.youtube.com/channel/UCjC8ulmve2QNRJXhDpk-L2A+ CN xJID_JLN yNINGGBDE CJH@NYX _N

Nb
X CO =
Np

Nc
X O2 =
Np

Nd
X H2O =
Np

Ne
X H2 =
Np

N p = Na + Nb + Nc + Nd + Ne

Ru = 8,314 [kJ/kmol-K]

row = LookupRow 'gibbs'; 'Temperature'; Tad

Tref = 298 [K]

mw CO2 = 44 [kg/kmol]

mw CO = 28 [kg/kmol]

mw H2O = 18 [kg/kmol]

mw H2 = 2 [kg/kmol]

mw O2 = 32 [kg/kmol]

mw CH4 = 16 [kg/kmol]

-----------------------------------------------------------------------------------------------------------------

CO2 <--> CO + 1/2O2

----------------------------------------------------------------------------------------------------------------

1 / 2
X CO · X O2 1
kp CO2 = ·
X CO2 P0
1 / 2

– d G;CO2
kp CO2 = exp
Ru · Tad

gibbs O2
d G;CO2 = gibbs CO + – gibbs CO2
2

-----------------------------------------------------------------------------------------------------------------

H2O<--> H2 + 1/2O2

----------------------------------------------------------------------------------------------------------------

1 / 2
X H2 · X O2 1
kp H2O = ·
X H2O P0
1 / 2

– d G;H2O
kp H2O = exp
Ru · Tad
File:C:\Users\Gui\Documents\Mestrado\P1 - completa - CH4.EES 01/10/2018 14:17:51 Page 4
9.944: #4402: EASY ENGINEERING, https://www.youtube.com/channel/UCjC8ulmve2QNRJXhDpk-L2A+ CN xJID_JLN yNINGGBDE CJH@NYX _N

gibbs O2
d G;H2O = gibbs H2 + – gibbs H2O
2

gibbs CO2 = Lookup 'gibbs'; row ; 'CO2'

gibbs CO = Lookup 'gibbs'; row ; 'CO'

gibbs H2 = Lookup 'gibbs'; row ; 'H2'

gibbs H2O = Lookup 'gibbs'; row ; 'H2O'

gibbs O2 = Lookup 'gibbs'; row ; 'O2'

-----------------------------------------------------------------------------------------------------------------

1a Lei

----------------------------------------------------------------------------------------------------------------

h 0;CO2 = Enthalpyformation CO2

h 0;H2 = Enthalpyformation H2

h 0;H2O = Enthalpyformation H2O

h 0;O2 = Enthalpyformation O2

h 0;CH4 = Enthalpyformation CH4

h 0;CO = Enthalpyformation CO

cp CO2 = Lookup 'C:\USERS\GUI\DOCUMENTS\MESTRA row ; 3

cp H2 = Lookup 'C:\USERS\GUI\DOCUMENTS\MESTRA row ; 4

cp H2O = Lookup 'C:\USERS\GUI\DOCUMENTS\MESTRA row ; 5

cp O2 = Lookup 'C:\USERS\GUI\DOCUMENTS\MESTRA row ; 6

cp CO = Lookup 'C:\USERS\GUI\DOCUMENTS\MESTRA row ; 2

h 0;CH4 + 2 · h 0;O2 = Na · h 0;CO2 + cp CO2 + Nb · h 0;CO + cp CO + Nc · h 0;O2 + cp O2 + Nd · h 0;H2O


+ cp H2O + Ne · h 0;H2 + cp H2

-----------------------------------------------------------------------------------------------------------------

Para phi = 0,6

----------------------------------------------------------------------------------------------------------------

mw O2
AF st = 2 ·
mw CH4

AF st
0,6 =
AF

SOLUTION
File:C:\Users\Gui\Documents\Mestrado\P1 - completa - CH4.EES 01/10/2018 14:17:51 Page 5
9.944: #4402: EASY ENGINEERING, https://www.youtube.com/channel/UCjC8ulmve2QNRJXhDpk-L2A+ CN xJID_JLN yNINGGBDE CJH@NYX _N

Unit Settings: SI K kPa kJ molar deg


AF = 6,667 AFst = 4
cpCO = 89657 [kJ/kmol] cpCO2 = 146969 [kJ/kmol]
cpH2 = 88163 [kJ/kmol] cpH2O = 125856 [kJ/kmol]
cpO2 = 95666 [kJ/kmol] dG,CO2 = 44226 [kJ/kmol]
dG,H2O = 84953 [kJ/kmol] gibbsCO = -348837 [kJ/kmol]
gibbsCO2 = -393063 [kJ/kmol] gibbsH2 = 0 [kJ/kmol]
gibbsH2O = -84953 [kJ/kmol] gibbsO2 = 0 [kJ/kmol]
h0,CH4 = -74595 [kJ/kmol] h0,CO = -110528 [kJ/kmol]
h0,CO2 = -393486 [kJ/kmol] h0,H2 = 0 [kJ/kmol]
h0,H2O = -241811 [kJ/kmol] h0,O2 = 0 [kJ/kmol]
kpCO2 = 0,1543 kpH2O = 0,0276
mwCH4 = 16 [kg/kmol] mwCO = 28 [kg/kmol]
mwCO2 = 44 [kg/kmol] mwH2 = 2 [kg/kmol]
mwH2O = 18 [kg/kmol] mwO2 = 32 [kg/kmol]
Na = 0,2252 Nb = 0,7748
Nc = 0,7683 Nd = 1,238
Ne = 0,7619 Np = 3,768
P0 = 101,3 [kPa] row = 19,46
Ru = 8,314 [kJ/kmol-K] Tad = 2846 [K]
Tref = 298 [K] XCO = 0,2056
XCO2 = 0,05977 XH2 = 0,2022
XH2O = 0,3286 XO2 = 0,2039

No unit problems were detected.

Lookup Table: gibbs


Temperature CO CO2 H2 H2O O2
[K] [kJ/kmol] [kJ/kmol] [kJ/kmol] [kJ/kmol] [kJ/kmol]

Row 1 1000 -200238 -396056 0 -192652 0


Row 2 1100 -208287 -395894 0 -186819 0
Row 3 1200 -216335 -395732 0 -180985 0
Row 4 1300 -224384 -395570 0 -175152 0
Row 5 1400 -232433 -395408 0 -169318 0
Row 6 1500 -240482 -395246 0 -163485 0
Row 7 1600 -248530 -395083 0 -157652 0
Row 8 1700 -256579 -394921 0 -151818 0
Row 9 1800 -264628 -394759 0 -145985 0
Row 10 1900 -272676 -394597 0 -140151 0
Row 11 2000 -280725 -394435 0 -134318 0
Row 12 2100 -288774 -394273 0 -128485 0
Row 13 2200 -296822 -394111 0 -122651 0
Row 14 2300 -304871 -393949 0 -116818 0
Row 15 2400 -312920 -393787 0 -110984 0
Row 16 2500 -320969 -393625 0 -105151 0
Row 17 2600 -329017 -393462 0 -99318 0
Row 18 2700 -337066 -393300 0 -93484 0
Row 19 2800 -345115 -393138 0 -87651 0
Row 20 2900 -353163 -392976 0 -81817 0
Row 21 3000 -361212 -392814 0 -75984 0
Row 22 3100 -369261 -392652 0 -70151 0
Row 23 3200 -377309 -392490 0 -64317 0
Row 24 3300 -385358 -392328 0 -58484 0
Row 25 3400 -393407 -392166 0 -52650 0
Row 26 3500 -401456 -392004 0 -46817 0
Row 27 3600 -409504 -391841 0 -40984 0
Row 28 3700 -417553 -391679 0 -35150 0
Row 29 3800 -425602 -391517 0 -29317 0
File:C:\Users\Gui\Documents\Mestrado\P1 - completa - CH4.EES 01/10/2018 14:17:51 Page 6
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Lookup Table: gibbs


Temperature CO CO2 H2 H2O O2
[K] [kJ/kmol] [kJ/kmol] [kJ/kmol] [kJ/kmol] [kJ/kmol]

Row 30 3900 -433650 -391355 0 -23483 0


Row 31 4000 -441699 -391193 0 -17650 0
Row 32 4100 -449748 -391031 0 -11817 0
Row 33 4200 -457796 -390869 0 -5983 0
Row 34 4300 -465845 -390707 0 -149,8 0
Row 35 4400 -473894 -390545 0 5684 0
Row 36 4500 -481943 -390383 0 11517 0
Row 37 4600 -489991 -390220 0 17350 0
Row 38 4700 -498040 -390058 0 23184 0
Row 39 4800 -506089 -389896 0 29017 0
Row 40 4900 -514137 -389734 0 34851 0
Row 41 5000 -522186 -389572 0 40684 0

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