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Hoja de Clculo para el Clculo de la Constante de E

Reaccin Qumica:
H (g) + CO (g) HO (g) + CO (g)
No.

Comp i
1 H
2 CO
3 HO
4 CO
5
6
7
8

i (mol)

n,i
-1
-1
1
1

2
3
0
0

T=
R=
T=

Hf,i, (J/mol)
0
-393509
-241818
-110525

298 K
8.314 J/mol K
1000 K

Mtodo corto:
Ln K=
Ln K=

Comp i
H
CO
HO
CO

yi
ni
0.18179268 0.9089633956
0.38179268 1.9089633956
0.21820732 1.0910366044
0.21820732 1.0910366044
1
5
n

Grfico K vs. T
T
K

K=

n cons R.L.=
f R.L.=
% Conversin=

Grfico Ln K vs. (1/T)


(1/T) x 10^4

300
325
350
375
400
425
450
475
500
525
550
575
600
625
650
675
700
725
750
775
800
825
850
875
900
925
950
975
1000
1025
1050
1075
1100
1125
1150
1175
1200
1225
1250
1275
1300
1325
1350
1375
1400

1.07558E-005
3.82207E-005
0.0001129564
0.0002879324
0.0006506921
0.0013315047
0.0025081882
0.0044066235
0.0072968403
0.0114852798
0.0173042939
0.0251001171
0.0352204917
0.0480029325
0.0637643487
0.0827924747
0.1053393131
0.1316166088
0.1617932247
0.1959942084
0.2343012853
0.2767545001
0.3233547369
0.3740668651
0.4288232943
0.4875277509
0.5500591246
0.6162752645
0.6860166362
0.759109771
0.8353704665
0.9146067087
0.9966213058
1.0812142285
1.1681846653
1.257332804
1.3484613555
1.4413768381
1.5358906433
1.6318199034
1.7289881809
1.8272260002
1.9263712399
2.0262694038
2.1267737869

33.3333333333
30.7692307692
28.5714285714
26.6666666667
25
23.5294117647
22.2222222222
21.0526315789
20
19.0476190476
18.1818181818
17.3913043478
16.6666666667
16
15.3846153846
14.8148148148
14.2857142857
13.7931034483
13.3333333333
12.9032258065
12.5
12.1212121212
11.7647058824
11.4285714286
11.1111111111
10.8108108108
10.5263157895
10.2564102564
10
9.756097561
9.5238095238
9.3023255814
9.0909090909
8.8888888889
8.6956521739
8.5106382979
8.3333333333
8.1632653061
8
7.8431372549
7.6923076923
7.5471698113
7.4074074074
7.2727272727
7.1428571429

1425
1450
1475
1500
1525
1550
1575
1600
1625
1650
1675
1700
1725
1750
1775
1800
1825
1850
1875
1900
1925
1950
1975
2000

2.2277455508
2.3290537235
2.4305751335
2.5321942913
2.633803227
2.7353012923
2.8365949347
2.9375974503
3.0382287207
3.1384149392
3.2380883295
3.3371868615
3.4356539664
3.5334382532
3.63049323
3.7267770302
3.8222521453
3.9168851663
4.0106465328
4.1035102921
4.1954538675
4.2864578361
4.3765057173
4.4655837707

7.0175438596
6.8965517241
6.7796610169
6.6666666667
6.5573770492
6.4516129032
6.3492063492
6.25
6.1538461538
6.0606060606
5.9701492537
5.8823529412
5.7971014493
5.7142857143
5.6338028169
5.5555555556
5.4794520548
5.4054054054
5.3333333333
5.2631578947
5.1948051948
5.1282051282
5.0632911392
5

Clculo de la Constante de Equilibrio (K).

Gf,i, (J/mol)i Hf,i, (J) i Gf,i,


0
0
-394359
393509
-228572
-241818
-137169
-110525
0
0
0
0
41166
H
G

Mtodo corto:

(J)

Ai

Bi

0
394359
-228572
-137169
0
0
0
0
28618

3.249
5.457
3.47
3.376

Mtodo Riguroso:

-11.550824759

J=

0.1132285964

I=

1.119887906

H=
Ln K=

1.0910366044
0.5455183022
54.551830218

48822.420356 J
18.01568563 mol
34635.410756 J
-0.3768534

K=

0.6860166362

G=

3133.1591718 J

S=

31.502251584 J/K

fico Ln K vs. (1/T)


Ln K

K
5

4.22E-04
1.05E-03
1.45E-03
5.57E-04

-11.440063812
-10.172132405
-9.0885086013
-8.1527846761
-7.3374739568
-6.6214456011
-5.9881946035
-5.4246465284
-4.9203138564
-4.466689079
-4.0568006035
-3.6848827682
-3.3461272148
-3.0364931771
-2.752561042
-2.4914181075
-2.2505685853
-2.0278620612
-1.8214361496
-1.629670169
-1.451147448
-1.2846244468
-1.1290053017
-0.9833207139
-0.8467103464
-0.7184080652
-0.5977295073
-0.4840615572
-0.3768534005
-0.2756088862
-0.1798799801
-0.0892611327
-0.0033844149
0.0780846952
0.1554509757
0.2289926551
0.2989642058
0.3655987943
0.4291104364
0.4896958971
0.5475363709
0.6027989699
0.6556380466
0.7061963702
0.7546061774

K
5
4
3

2
1
0
200

400

600

800

1000

1200

1400

1600

1800

2000

2200

Ln K
4
2
0
-2 0
-4
-6
-8
-10
-12
-14

10

15

20

25

30

35

40

Ln K

0.8009901104
0.8454620578
0.8881279098
0.9290862357
0.9684288955
1.0062415915
1.0426043662
1.0775920535
1.1112746879
1.143717876
1.1749831339
1.2051281951
1.2342072908
1.2622714063
1.2893685151
1.3155437932
1.3408398157
1.3652967375
1.3889524584
1.4118427762
1.4340015265
1.4554607126
1.4762506246
1.4963999495

Ci

Di
0
0
0
0

i Ai
8.30E+03
-1.16E+05
1.21E+04
-3.10E+03

max=

i Bi
i Ci
-3.249
-0.000422
-5.457
-0.001045
3.47
0.00145
3.376
0.000557
0
0
0
0
0
0
0
0
-1.86
0.00054
B
C

i Di
0
0
0
0
0
0
0
0
0

-8300
115700
12100
-3100
0
0
0
0
116400
D

Clculo de por el mtodo de Nexton-Raphson


i
f(i)
f'(i)
i+1
1 0.5423094 -5.91538119 1.09167785
1.09167785 -0.00384681 -5.99930137 1.09103664
1.09103664 -1.882E-007 -5.99871442 1.0910366
1.0910366
0 -5.99871439 1.0910366
1.0910366
0 -5.99871439 1.0910366
1.0910366
0 -5.99871439 1.0910366
1.0910366
0 -5.99871439 1.0910366
1.0910366
0 -5.99871439 1.0910366

T
1000
1100
1200
1300
2.1
1.9
1.7
1.5
ni
(moles)

1.3
1.1

n H
2.81792679 0.9089634
2.60194955 0.80097478
2.42921595 0.71460797
2.2904574 0.6452287

30

2.1
1.9
1.7
1.5
ni
(moles)

1.3
1.1
0.9
0.7

0.5
900

950

1000

1050

1100

1150

1200

1250

13

T (K)

1800

2000

2.9

2200

2.8
2.7
2.6
n
(moles)

2.5
2.4
2.3
2.2

35

40

2.1

Ln K

2
900

1000

1100

1200

13

T (K)

2.1
1.9
1.7
1.5
ni
(moles)

1.3
1.1
0.9
0.7
0.5
1000

1100

1200
T (K)

13


T
1000
0.18179268
0.38179268
0.21820732
0.21820732

0.16019496
0.36019496
0.23980504
0.23980504

0.14292159
0.34292159
0.25707841
0.25707841

0.12904574
0.32904574
0.27095426
0.27095426

Ea
0.08397885
0.00058771
2.8752E-008
0
0
0
0
0

n CO
n Ho
n Co
1.9089634 2.18207321 1.0910366 1.0910366
1.80097478 2.39805045 1.19902522 1.19902522
1.71460797 2.57078405 1.28539203 1.28539203
1.6452287 2.7095426 1.3547713 1.3547713

H2
CO2
H2O

0
0.1
0.2
0.3
0.4
0.5
0.6
0.7
0.8
0.9
1
1.1
1.2
1.3
1.4
1.5
1.6
1.7
1.8
1.9
2

H2
CO2
H2O
CO

1100

1150

1200

1250

1300

T (K)

Reactivos
Productos

1100

1200

1300

(K)

H2
CO2
H2O
CO

1200
T (K)

1300

yH2*GH2+RT*yH2*ln yH2 yCO2*GCO2+RT*yCO2*ln yCO2


-3047.2164579207
-240022.202541594
-3056.9075658491
-232184.939807241
-3057.8430499131
-224341.942142938
-3049.5359983797
-216493.004644112
-3031.442121737
-208637.90721801
-3002.9489685498
-200776.412829588
-2963.3622560383
-192908.265466376
-2911.8882803905
-185033.187763712
-2847.6108913901
-177150.87821636
-2769.4607531985
-169261.007882357
-2676.1733607954
-161363.216457921
-2566.2301436081
-153457.107565849
-2437.7731663366
-145542.243049913
-2288.4767203037
-137618.13599838
-2115.3445247961
-129684.242121737
-1914.3692463153
-121739.94896855
-1679.9126359023
-113784.562256038
-1403.4418019486
-105817.288280391
-1070.4693443182
-97837.2108913901
-650.4911853426
-89843.2607531985
0
-81834.1733607954

-236000
-238000 0

0.5

1.5

-240000
-242000
-244000
G ()

-246000
-248000
-250000
-252000
-254000
-256000

2.5

yCO*GCO+RT*yCO*ln yCO

yH2O*GH2O+RT*yH2O*ln YH2O

G()
0 -243069.419
-4498.8911853426 -244396.03
-8767.2693443182 -245247.124
-12948.6418019486 -245909.024
-17073.5126359023 -246441.975
-21156.3692463152
-246874.1
-25205.7445247961 -247221.517
-29227.2767203037 -247494.429
-33224.9731663365 -247699.635
-37201.8301436081 -247841.729
-41160.1733607954 -247923.737
-45101.8607531985 -247947.459
-49028.4108913901 -247913.638
-52941.0882803906 -247821.989
-56840.9622560383 -247671.111
-60728.9489685498 -247458.216
-64605.842121737 -247178.559
-68472.3359983797 -246824.202
-72329.0430499131 -246380.966
-76176.5075658491 -245818.367
-80015.2164579207 -244992.606

0
-4655.2911853426
-9080.0693443182
-13417.8418019486
-17699.1126359023
-21938.3692463153
-26144.1445247961
-30322.0767203037
-34476.1731663365
-38609.4301436081
-42724.1733607954
-46822.2607531985
-50905.2108913901
-54974.2882803905
-59030.5622560383
-63074.9489685497
-67108.242121737
-71131.1359983797
-75144.2430499131
-79148.1075658491
-83143.2164579207

1.5

2.5

1000 K
1100 K
1200 K
1300 K

0
0.1
0.2
0.3
0.4
0.5
0.6
0.7
0.8
0.9
1
1.1
1.2
1.3
1.4
1.5
1.6
1.7
1.8
1.9
2

-3351.9381
-3362.59832
-3363.62735
-3354.4896
-3334.58633
-3303.24387
-3259.69848
-3203.07711
-3132.37198
-3046.40683
-2943.7907
-2822.85316
-2681.55048
-2517.32439
-2326.87898
-2105.80617
-1847.9039
-1543.78598
-1177.51628
-715.540304
0

-240379.023
-232546.214
-224707.096
-216861.445
-209009.018
-201149.554
-193282.772
-185408.367
-177526.006
-169635.329
-161735.938
-153827.398
-145909.227
-137980.89
-130041.786
-122091.244
-114128.498
-106152.677
-98162.772
-90157.6068
-82135.7907

0
-4897.7403
-9541.91628
-14090.386
-18576.7039
-23016.8062
-27420.079
-31792.7244
-36139.1505
-40462.6532
-44765.7907
-49050.6068
-53318.772
-57571.6771
-61810.4985
-66036.2439
-70249.7863
-74451.8896
-78643.2274
-82824.3983
-86995.9381

0
-4455.5403
-8657.51628
-12763.786
-16807.9039
-20805.8062
-24766.879
-28697.3244
-32601.5505
-36482.8532
-40343.7907
-44186.4068
-48012.372
-51823.0771
-55619.6985
-59403.2439
-63174.5863
-66934.4896
-70683.6274
-74422.5983
-78151.9381

0
0.1
0.2
0.3
0.4
0.5
0.6
0.7
0.8
0.9
1
1.1
1.2
1.3
1.4
1.5
1.6
1.7
1.8
1.9
2

-3656.65975
-3668.28908
-3669.41166
-3659.4432
-3637.73055
-3603.53876
-3556.03471
-3494.26594
-3417.13307
-3323.3529
-3211.40803
-3079.47617
-2925.3278
-2746.17206
-2538.41343
-2297.2431
-2015.89516
-1684.13016
-1284.56321
-780.589422
0

-240669.843
-232843.688
-225010.651
-217170.486
-209322.929
-201467.695
-193604.479
-185732.945
-177852.734
-169963.449
-162064.66
-154155.889
-146236.612
-138306.243
-130364.131
-122409.539
-114441.635
-106459.466
-98461.9331
-90447.7529
-82415.408

0
-5137.18942
-9997.76321
-14753.9302
-19442.2952
-24080.2431
-28678.0134
-33242.3721
-37778.1278
-42288.8762
-46777.408
-51245.9529
-55696.3331
-60130.0659
-64548.4347
-68952.5388
-73343.3305
-77721.6432
-82088.2117
-86443.6891
-90788.6597

0
-4408.18942
-8539.76321
-12566.9302
-16526.2952
-20435.2431
-24304.0134
-28139.3721
-31946.1278
-35727.8762
-39487.408
-43226.9529
-46948.3331
-50653.0659
-54342.4347
-58017.5388
-61679.3305
-65328.6432
-68966.2117
-72592.6891
-76208.6597

0
0.1
0.2
0.3
0.4
0.5
0.6
0.7
0.8
0.9
1
1.1
1.2
1.3
1.4
1.5
1.6
1.7
1.8
1.9
2

-3961.3814
-3973.97984
-3975.19596
-3964.3968
-3940.87476
-3903.83366
-3852.37093
-3785.45476
-3701.89416
-3600.29898
-3479.02537
-3336.09919
-3169.10512
-2975.01974
-2749.94788
-2488.68002
-2183.88643
-1824.47434
-1391.61015
-845.638541
0

-240960.663
-233141.162
-225314.205
-217479.526
-209636.839
-201785.837
-193926.185
-186057.524
-178179.462
-170291.57
-162393.381
-154484.38
-146564
-138631.597
-130686.475
-122727.834
-114754.771
-106766.255
-98761.0942
-90737.899
-82695.0254

0
-5376.23854
-10452.8101
-15416.2743
-20306.2864
-25141.68
-29933.5479
-34689.2197
-39413.9051
-44111.4992
-48785.0254
-53436.899
-58069.0942
-62683.2548
-67280.7709
-71862.8337
-76430.4748
-80984.5968
-85525.996
-90055.3798
-94573.3814

0
-4360.03854
-8420.41015
-12367.6743
-16241.4864
-20060.68
-23836.3479
-27575.8197
-31284.3051
-34965.6992
-38623.0254
-42258.699
-45874.6942
-49472.6548
-53053.9709
-56619.8337
-60171.2748
-63709.1968
-67234.396
-70747.5798
-74249.3814

-243730.961
-245262.093
-246270.156
-247070.107
-247728.212
-248275.41
-248729.428
-249101.492
-249399.079
-249627.242
-249789.31
-249887.265
-249921.922
-249892.968
-249798.862
-249636.538
-249400.775
-249082.842
-248667.143
-248120.144
-247283.667
-244326.503
-246057.356
-247217.589
-248150.789
-248929.25
-249586.72
-250142.54
-250608.955
-250994.123
-251303.555
-251540.884
-251708.271
-251806.606
-251835.547
-251793.413
-251676.859
-251480.191
-251193.882
-250800.92
-250264.72
-249412.728

-244922.045
-246851.419
-248162.621
-249227.872
-250125.487
-250892.03
-251548.452
-252108.018
-252579.566
-252969.068
-253280.458
-253516.077
-253676.889
-253762.526
-253771.165
-253699.181
-253540.407
-253284.523
-252913.096
-252386.497
-251517.788

Hoja de Clculo para el Clculo de la Constante de Equilibrio (K).


Reaccin Qumica:
CO + 3H HO + CHOH
No.

Comp i
1 CO
2 H
3 HO
4 CHOH
5
6
7
8

i (mol)

n,i
-1
-3
1
1

-2

Hf,i, (J/mol) Gf,i, (J/mol) i Hf,i, (J) i Gf,i, (J)


Ai
3
-393509
-394359
393509
394359
6
0
0
0
0
0
-241818
-228572
-241818
-228572
0
-200660
-161960
-200660
-161960
0
0
0
0
0
0
0
0
9
-48969
3827
H
G

Bi
5.457
3.249
3.47
2.211

Mtodo Riguroso:
T=
R=

298 K
8.314 J/mol K

T=
P=

350 K
3 atm

Mtodo corto:

J= -26443.0115 J

Ln K= -1.5446574307

I= 39.8156115 mol

Ln K= -4.4811590887
Comp i
CO
H
HO
CHOH

yi
ni
0.30995255 2.44638293
0.54976277 4.33914879
0.07014234 0.55361707
0.07014234 0.55361707
1 7.89276586

K= 0.0113202843

H= -51225.9024 J
Ln K= -4.54554058
K= 0.01061443

n cons R.L.= 1.6608512094


f R.L.= 0.2768085349
% Conversin= 27.6808534895

G= 13227.0685 J

1.05E-03
4.22E-04
1.45E-03
1.22E-02

S= -184.151345 J/K

Ci

Di
0
0
0
-3.45E-06

i Ai
-1.16E+05
8.30E+03
1.21E+04
0

i Bi
i Ci
i Di
i
-5.457
-0.001045
0
115700
-9.747
-0.001266
0
-24900
3.47
0.00145
0
12100
2.211
0.012216 -0.00000345
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
-9.523
0.011355 -0.00000345
102900
B
C
D

max=

3
2

Clculo de por el mtodo de Nexton-Raphson


i

f(i)
f'(i)
i+1
Ea
1 -458.928418 -921.754883 0.50211447 0.99157774
0.50211447 57.9307015 -1132.3581 0.55327382 0.0924666
0.55327382 0.38342822 -1117.10038 0.55361705 0.00061999
0.55361705 1.8494E-005 -1116.99261 0.55361707 2.9906E-008
0.55361707
0 -1116.9926 0.55361707
0
0.55361707
0 -1116.9926 0.55361707
0
0.55361707
0 -1116.9926 0.55361707
0
0.55361707
0 -1116.9926 0.55361707
0

yi
P (atm)
% Conv.
CO
H
HO
CHOH
1 12.1562408 0.32381443 0.61907213 0.02855672 0.02855672
10 51.5845712 0.28375627 0.41878133 0.1487312 0.1487312
20 64.6971626 0.26606777 0.33033886 0.20179669 0.20179669
30 71.2919346 0.25603102 0.2801551 0.23190694 0.23190694
40 75.4040128 0.24932483 0.24662413 0.25202552 0.25202552
50 78.2670795 0.24443363 0.22216815 0.26669911 0.26669911
60 80.400411 0.24066316 0.20331582 0.27801051 0.27801051
70 82.0650151 0.23764296 0.18821478 0.28707113 0.28707113
80 83.408067 0.2351544 0.17577202 0.29453679 0.29453679
90 84.5195697 0.2330589 0.16529452 0.30082329 0.30082329
100 85.4580009 0.2312637 0.15631852 0.30620889 0.30620889
0.7

% Conversin= f(P)

0.6

100

0.5

80

0.4
yi

60
% Conversin

0.3

40

0.2

20

0.1
0

0
0

20

40
P (atm)

60

80

100

10

20

30

40

50

P (atm)

60

70

80

CO
H
HO
CHOH

50

atm)

60

70

80

90

100

Hoja de Clculo para el Clculo de la Constante de Equilibrio (K).


Reaccin Qumica:
SO + (1/2)O SO
No.

Comp i
1 SO
2 O
3 SO
4 N
5
6
7
8

i (mol)

n,i
-1
-0.5
1
0

-0.5

Hf,i, (J/mol)
Gf,i, (J/mol) i Hf,i, (J) i Gf,i, (J)
Ai
3.75
-296830
-300194
296830
300194
5
0
0
0
0
0
-395720
-371060
-395720
-371060
16.25
0
0
0
0
0
0
0
0
0
0
0
0
25
-98890
-70866
H
G

Bi
5.699
3.639
8.06
3.28

Mtodo Riguroso:
T=
R=

298 K
8.314 J/mol K

J= -102741.888 J
Mtodo corto:
I= -15.4445984 mol

T=
P=
Comp i
SO
O
SO
N

723 K
1 bar
yi
ni
0.00256197 0.0593215
0.13624301 3.15466075
0.15939247 3.6906785
0.70180255
16.25
1 23.1546607
n

Ln K= 28.6030032629
H= -98448.211 J
Ln K=

5.1403714553
Ln K= 5.12725137

K= 170.779193379
K= 168.553191
n cons R.L.=
f R.L.=

3.6906785012
0.9841809336

G= -30820.0208 J

8.01E-04
5.06E-04
1.06E-03
5.93E-04

% Conversin= 98.4180933642

Grfico
T
200
225
250
275
300
325
350
375
400
425
450
475
500
525
550
575
600
625
650

K vs. T
K
7.668E+020
1.080E+018
5.573E+015
7.433E+013
2.026E+012
9.580E+010
6994455588
723232965
99267318.5
17209448.1
3625337.7
900026.397
256941.759
82689.7987
29514.4012
11527.4182
4871.55829
2206.68657
1062.86467

Grfico Ln K vs. (1/T)


(1/T) x 10^4
Ln K
50 48.0887476026
44.4444444444 41.5231451447
40 36.2567083977
36.3636363636 31.9395253206
33.3333333333 28.3368990065
30.7692307692 25.2855504261
28.5714285714 22.6683836133
26.6666666667 20.3992419476
25 18.413326956
23.5294117647 16.6609690992
22.2222222222 15.1034579994
21.0526315789 13.7101793724
20
12.45660472
19.0476190476 11.3228515205
18.1818181818 10.2926335986
17.3913043478 9.3524836692
16.6666666667 8.4911691415
16 7.6992473779
15.3846153846 6.9687230629

S= -93.538299 J/K

Grfico K vs. T
2500
2000
1500
K

1000
500
0
0

200

400

600

800

1000 1200 1400 1600 1800 2000


T

Ci

Di
0
0
0
0

i Ai
-1.02E+05
-2.27E+04
-2.03E+05
4.00E+03

i Bi
i Ci
-5.699
-0.000801
-1.8195
-0.000253
8.06
0.001056
0
0
0
0
0
0
0
0
0
0
0.5415
0.000002
B
C

max=

i Di
0
0
0
0
0
0
0
0
0

i
101500
11350
-202800
0
0
0
0
0
-89950

3.75
10

3.75
Clculo de por el mtodo de Nexton-Raphson
i

f(i)
f'(i)
i+1
Ea
3.5 0.19309998 -1.66176299 3.61620188 0.03213368
3.61620188 0.04646618 -0.86876499 3.66968721 0.0145749
3.66968721 0.00943529 -0.51737756 3.68792396 0.00494499
3.68792396 0.00107611 -0.39952781 3.69061742 0.00072981
3.69061742 2.3332E-005 -0.38220663 3.69067847 1.6540E-005
3.69067847 1.1975E-008 -0.38181431 3.6906785 8.4978E-009
3.6906785
0 -0.38181411 3.6906785
0
3.6906785
0 -0.38181411 3.6906785
0

P (atm)

.T

yi
% Conv.
CO
H
HO
1 12.1562408 0.32381443 0.61907213 0.02855672
10 51.5845712 0.28375627 0.41878133 0.1487312
20 64.6971626 0.26606777 0.33033886 0.20179669
30 71.2919346 0.25603102 0.2801551 0.23190694
40 75.4040128 0.24932483 0.24662413 0.25202552
50 78.2670795 0.24443363 0.22216815 0.26669911
60 80.400411 0.24066316 0.20331582 0.27801051
70 82.0650151 0.23764296 0.18821478 0.28707113
80 83.408067 0.2351544 0.17577202 0.29453679
90 84.5195697 0.2330589 0.16529452 0.30082329
100 85.4580009 0.2312637 0.15631852 0.30620889

% Conversin= f(P)
100
80

1400 1600 1800 2000 2200

60
% Conversin

40
20
0
0

20

40
P (atm)

60

80

100

Hoja de Clculo para el Clculo de la Constante de E


Reaccin Qumica:
CH (g) CH (g) + CH (g)
No.

Comp i
1 CH
2 CH
3 CH
4
5
6
7
8

i (mol)

n,i
-1
1
1

T=
R=
T=
P=

298 K
8.314 J/mol K
650 K
1 bar

Hf,i, (J/mol)
5
-104680
0
52510
0
-74520

5
n

Mtodo corto:
Ln K=
Ln K=

Comp i
CH
CH
CH

yi
ni
0.07550832 0.70207098
0.46224584 4.29792902
0.46224584 4.29792902
0
0
1 9.29792902
n

Grfico K vs. T
T
K

K=

n cons R.L.=
f R.L.=
% Conversin=

Grfico Ln K vs. (1/T)


(1/T) x 10^4

200
225
250
275

3.2580E-015
7.8949E-013
6.4402E-011
2.3757E-009

50
44.4444444444
40
36.3636363636

Clculo de la Constante de Equilibrio (K).

Gf,i, (J/mol) i Hf,i, (J) i Gf,i, (J)


Ai
-24290
104680
24290
68460
52510
68460
-50460
-74520
-50460
0
0
0
0
0
0
0
0
0
0
82670
42290
H
G

Mtodo corto:
-17.069130584
1.0005701612
2.7198321292

Bi
1.213
1.424
1.702

Mtodo Riguroso:
J= 79724.3011 J
I= 4.96835097 mol
H= 82462.3424 J
Ln K= 1.04019565

4.2979290205
0.8595858041
85.9585804096

fico Ln K vs. (1/T)


Ln K

K=

2.8297706

G= -5621.3213 J
S= 135.513329 J/K

2.88E-02
1.44E-02
9.08E-03

-33.357662872
-27.867389901
-23.465871266
-19.857988281

Ci

Di
-8.82E-06
-4.39E-06
-2.16E-06

i Ai
0
0
0

max=

i Bi
i Ci
i Di
-1.213
-0.028785 8.8240E-006
1.424
0.014394 -4.392E-006
1.702
0.009081 -2.164E-006
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1.913
-0.00531 2.2680E-006
B
C
D

0
0
0
0
0
0
0
0
0

Clculo de por el mtodo de Nexton-Raphson


i
f(i)
f'(i)
i+1
3.5 -8.42102718 9.47369875 4.38888484
4.38888484 1.06933191 11.8797065 4.29887151
4.29887151 0.01096567 11.636061 4.29792912
4.29792912 1.2019E-006 11.6335102 4.29792902
4.29792902
0 11.6335099 4.29792902
4.29792902
0 11.6335099 4.29792902
4.29792902
0 11.6335099 4.29792902
4.29792902
0 11.6335099 4.29792902

i
5

Ea
0.20253091
0.02093883
0.00021927
2.4039E-008
0
0
0
0

Clculo de T por el Mtodo de Newton-Raphson.


T sup
F(T sup)
F'(T sup)
Tn
550 -1.42900318 0.03293869 593.383723
593.383723 -0.1054923 0.02825136 597.117784
597.117784 -0.00066838 0.02789447 597.141745
597.141745 -2.718E-008 0.0278922 597.141746
597.141746 1.2212E-015 0.0278922 597.141746
597.141746 1.2212E-015 0.0278922 597.141746
597.141746 1.2212E-015 0.0278922 597.141746
597.141746 1.2212E-015 0.0278922 597.141746

Raphson.
Ea
0.07311242
0.00625348
4.0126E-005
1.6320E-009
0
0
0
0

Hoja de Clculo para el Clculo de la Constante de Equilibrio (K).


Reaccin Qumica:
CH (g) CH (g) + H (g)
No.

Comp i
CH
CH
H

1
2
3
4
5
6
7
8

i (mol)
-1
1
1

n,i
1
0
0

Hf,i, (J/mol)
-83820
52510
0

Gf,i, (J/mol)
-31855
68460
0

1
n

i Hf,i, (J)
83820
52510
0
0
0
0
0
0
136330
H

i Gf,i, (J) Ai
31855
1.131
68460
1.424
0
3.249
0
0
0
0
0
100315
G
Mtodo Riguroso:

Bi
1.92E-02
1.44E-02
4.22E-04

J= 129327.889 J
T=
R=
T=
P=

Comp i
CH
CH
H

298 K
8.314 J/mol K
800 K
20 bar

yi
ni
0.96859365 0.9840463
0.01570317 0.0159537
0.01570317 0.0159537
0
0

Mtodo corto:

I= -7.87598791 mol

Ln K=

-40.4892370434

H= 142728.846 J

Ln K=

-5.9606441306

K=

0.0025782507

K= 0.00511381
G= 35090.4648 J

n cons R.L.=
f R.L.=

0.0159536975
0.0159536975

S= 134.547977 J/K

Ln K= -5.27580961

1.0159537

% Conversin=

1.5953697543

Kp= 0.00025459

P
10
20
30
40
50
60
70
80
90
100

Grfico Ln K vs. (1/T)


(1/T) x 10^4
Ln K
50 -67.2158810496
44.4444444 -58.2316021145
40 -51.0132625228
Grfico K vs. T
36.3636364 -45.0832312116
T
K
200 6.4345E-030
225 5.1326E-026
250 7.0020E-023
275 2.6339E-020

yi
0.9558304981 0.02208475
0.9685936523 0.01570317
0.9743091222 0.01284544
0.9777360829 0.01113196
0.9800842341 0.00995788
0.9818230562 0.00908847
0.9831780435 0.00841098
0.9842727877 0.00786361
0.9851814596 0.00740927
0.98595163 0.00702418

yi=f(P)

Kp=f(P)

0.0006

0.8

0.0005
0.0004

CH

0.6
yi

0.02208475
0.01570317
0.01284544
0.01113196
0.00995788
0.00908847
0.00841098
0.00786361
0.00740927
0.00702418

CH

0.4

0.2

Kp

0.0003
0.0002
0.0001

0
0

10

20

30

40

50

P (bar)

60

70

80

90

100

0
0

10

20

30

40

50

P (bar)

60

70

80

90

Ci
-5.56E-06
-4.39E-06
0

Di

i Ai
0
-1.131
0
1.424
8.30E+03
3.249
0
0
0
0
0
3.542
A

i Bi
i Ci
i Di
-0.019225 5.5610E-006
0
0.014394 -4.392E-006
0
0.000422
0
8300
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
-0.004409 1.1690E-006
8300
B
C
D
max=

i
1

Pci (bar)
48.72
50.4
13.13

Tci (K)
305.3
282.3
33.19

Pri (bar)
Tri (K)
0.41050903 2.6203734
0.3968254 2.83386468
1.52322925 24.1036457

1
Clculo de por el mtodo de Nexton-Raphson
i
f(i)
f'(i)
i+1
Ea
0.1 0.00974796 0.20005092 0.0512726 0.95035936
0.0512726 0.00237496 0.10257131 0.02811833 0.82345811
0.02811833 0.00053626 0.05625098 0.01858505 0.51295458
0.01858505 9.0907E-005 0.03717956 0.01613998 0.15149162
0.01613998 5.9799E-006 0.03228817 0.01595477 0.01160806
0.01595477 3.4309E-008 0.03191767 0.0159537 6.7378E-005
0.0159537 1.1558E-012 0.03191552 0.0159537 2.2699E-009
0.0159537
0 0.03191552 0.0159537
0

Bi
-0.00735067
0.00329127
0.08040594

Kp
0.00051027
0.00025459
0.00016936
0.00012674
0.00010117
8.4130E-005
7.1955E-005
6.2824E-005
5.5723E-005
5.0042E-005

P)

50
ar)

60

70

80

90

100

Bi
i
0.13599113
0.1
0.13683461
0.087
0.13899973
-0.216

Ln i
0.00097888
0.00212788
0.00318389

i
1.00097936
1.00213014
1.00318896

Hoja de Clculo para el Clculo de la Constante de Equil


Reaccin Qumica:
CO (g) + 2 H (g) CHOH (g)
No.

Comp i
CO
H
CHOH

1
2
3
4
5
6
7
8

i (mol)
-1
-2
1

n,i
1
2
0

-2

T=
R=
T=
P=

Comp i
CO
H
CHOH

298 K
8.314 J/mol K

Mtodo corto:

300 K
100 bar

0.75
0.0027
0.0027

Gf,i, (J/mol)
-137169
0
-161960

3
n

yi
ni
0.0237252 0.02490705
0.0474504 0.0498141
0.92882439 0.97509295 a)
0
0
1 1.0498141
n
=
K=
K=

Hf,i, (J/mol)
-110525
0
-200660

Ln K=

10.0061673283

Ln K=

9.7636314908

K= 17389.667566933

n cons R.L.=
f R.L.=
% Conversin=

d)
=
y CHOH=
y H=
y CO =

0.75
0.5
0.3333333333
0.1666666667

0.9750929482
0.9750929482
97.5092948157

onstante de Equilibrio (K).

i Hf,i, (J)
110525
0
-200660
0
0
0
0
0
-90135
H

i Gf,i, (J)
137169
0
-161960
0
0
0
0
0
-24791
G

Ai

Bi
3.376
3.249
2.211

Ci
5.57E-04
4.22E-04
1.22E-02

0
0
-3.45E-06

Di
-3.10E+03
8.30E+03
0

max=
Mtodo Riguroso:

Clculo de por el mto


J= -75265.4319 J
I= 21.7999259 mol
H= -90216.2902 J
Ln K= 9.76352229
K= 17387.7688
G= -24352.1773 J
S= -219.547043 J/K

i Ai
-3.376
-6.498
2.211
0
0
0
0
0
-7.663
A

i Bi
-0.000557
-0.000844
0.012216
0
0
0
0
0
0.010815
B

i Ci

i Di
0
3100
0
-16600
-0.00000345
0
0
0
0
0
0
0
0
0
0
0
-0.00000345
-13500
C
D

i
1
1

Pci (bar)
34.99
13.13
80.97

lculo de por el mtodo de Nexton-Raphson


i
f(i)
f'(i)
i+1
Ea
0.9 0.0039254648 -0.11983437 0.93275742 0.03511891
0.93275742 0.0011471231 -0.05408936 0.95396535 0.02223134
0.95396535 0.0003247927 -0.0252592 0.96682374 0.01329963
0.96682374 8.283631E-005 -0.01303619 0.97317807 0.00652947
0.97317807 1.504948E-005 -0.00846095 0.97495677 0.00182439
0.97495677 9.958487E-007 -0.00735386 0.97509219 0.00013888
0.97509219 5.501354E-009 -0.00727268 0.97509295 7.7576E-007
0.97509295 1.705303E-013 -0.00727223 0.97509295 2.4049E-011
c)

d)

Tci (K)
132.9
33.19
512.6

i
0.048
-0.216
0.564

Pri (bar)
i Tci Pri
i Tc Pri i i Tc Pri
2.85795942 -379.822807 -948901.226 -18.2314947
7.61614623 -505.559787 -137209.482 109.200914
1.23502532 633.073978 13711981.7 357.053724

-252.308615

12625871 448.023143

Clculo de T por el Mtodo de Newton-Raphson.


b)
T sup
F(T sup)
F'(T sup)
Tn
Ea
350 1.2471311564 -0.09047527 363.784222 0.0378912
363.784222 0.0440369652 -0.08420169 364.307215 0.00143558
364.307215 5.87983E-005 -0.08397699 364.307916 1.9219E-006
364.307916 1.05093E-010 -0.08397669 364.307916 3.4352E-012
364.307916
0 -0.08397669 364.307916
0
364.307916
0 -0.08397669 364.307916
0
364.307916
0 -0.08397669 364.307916
0
364.307916
0 -0.08397669 364.307916
0
Clculo de T por el Mtodo de Newton-Raphson.
T sup
F(T sup)
F'(T sup)
Tn
Ea
350 10.457471528 -0.09047527 465.583757 0.24825556
465.583757 2.4443401862 -0.05321589 511.516279 0.0897968
511.516279 0.2052461126 -0.04466007 516.11202 0.00890454
516.11202 0.0017050322 -0.04392119 516.15084 7.5211E-005
516.15084 1.19608E-007 -0.04391503 516.150843 5.2768E-009
516.150843
0 -0.04391503 516.150843
0
516.150843
0 -0.04391503 516.150843
0
516.150843
0 -0.04391503 516.150843
0

Clculo de T por el Mtodo de Newton-Raphson.


T sup
F(T sup)
F'(T sup)
Tn
Ea
400 -7.709078909 0.08192151 494.103231 0.19045257
494.103231 -1.597797161 0.05177388 524.964299 0.05878698
524.964299 -0.097172759 0.0456816 527.091474 0.00403569
527.091474 -0.000401834 0.04530462 527.100343 1.6827E-005
527.100343 -6.92455E-009 0.04530306 527.100344 2.8998E-010
527.100344
0 0.04530306 527.100344
0
527.100344
0 0.04530306 527.100344
0
527.100344
0 0.04530306 527.100344
0

i i Tc Pri
-15122625447
266966478.75
8.58625E+013

8.58477E+013

Grfico K vs. T
T
K
200 2124.27625
225 103.383586
250 8.70186751
275 1.09511561
300 0.18701966
325 0.04052143
350 0.01061443
375 0.00324385
400 0.00112588
425 0.00043469
450 0.00018367
475 8.3836E-005
500 4.0907E-005
525 2.1154E-005
550 1.1511E-005
575 6.5528E-006
600 3.8825E-006
625 2.3841E-006
650 1.5117E-006
675 9.8676E-007
700 6.6121E-007
725 4.5375E-007
750 3.1824E-007
775 2.2768E-007
800 1.6590E-007
825 1.2293E-007
850 9.2523E-008
875 7.0642E-008
900 5.4660E-008
925 4.2820E-008
950 3.3934E-008
975 2.7183E-008
1000 2.1995E-008
1025 1.7965E-008
1050 1.4804E-008
1075 1.2300E-008
1100 1.0300E-008
1125 8.6879E-009
1150 7.3791E-009
1175 6.3084E-009
1200 5.4263E-009
1225 4.6947E-009
1250 4.0842E-009
1275 3.5716E-009
1300 3.1388E-009
1325 2.7714E-009
1350 2.4579E-009
1375 2.1891E-009
1400 1.9575E-009
1425 1.7571E-009
1450 1.5830E-009
1475 1.4311E-009
1500 1.2980E-009
1525 1.1810E-009
1550 1.0778E-009
1575 9.8638E-010
1600 9.0521E-010
1625 8.3289E-010

Grfico Ln K vs. (1/T)


(1/T) x 10^4
Ln K
50 7.66118644
44.4444444 4.63844621
40 2.16353766
36.3636364 0.09085993
33.3333333 -1.67654152
30.7692308 -3.20592431
28.5714286 -4.54554058
26.6666667 -5.73099459
25 -6.78919226
23.5294118 -7.74088712
22.2222222 -8.60237443
21.0526316 -9.3866498
20 -10.1042209
19.047619 -10.7636885
18.1818182 -11.3721697
17.3913043 -11.9356126
16.6666667 -12.4590325
16 -12.9466929
15.3846154 -13.4022448
14.8148148 -13.828836
14.2857143 -14.2291976
13.7931034 -14.6057125
13.3333333 -14.9604711
12.9032258 -15.2953163
12.5
-15.61188
12.1212121 -15.9116138
11.7647059 -16.1958136
11.4285714 -16.4656413
11.1111111 -16.7221417
10.8108108 -16.9662577
10.5263158 -17.198843
10.2564103 -17.4206725
10 -17.6324518
9.75609756 -17.8348247
9.52380952 -18.0283806
9.30232558 -18.2136601
9.09090909
-18.39116
8.88888889 -18.561338
8.69565217 -18.7246167
8.5106383 -18.8813869
8.33333333 -19.0320108
8.16326531 -19.1768244
8 -19.3161403
7.84313725 -19.4502496
7.69230769 -19.5794237
7.54716981 -19.7039162
7.40740741 -19.8239643
7.27272727 -19.9397904
7.14285714 -20.0516026
7.01754386 -20.159597
6.89655172 -20.2639573
6.77966102 -20.3648571
6.66666667 -20.4624594
6.55737705 -20.5569184
6.4516129 -20.6483796
6.34920635 -20.7369805
6.25 -20.8228512
6.15384615 -20.9061152

1650
1675
1700
1725
1750
1775
1800
1825
1850
1875
1900
1925
1950
1975
2000

7.6826E-010
7.1033E-010
6.5827E-010
6.1135E-010
5.6895E-010
5.3055E-010
4.9568E-010
4.6395E-010
4.3500E-010
4.0854E-010
3.8430E-010
3.6205E-010
3.4159E-010
3.2273E-010
3.0532E-010

6.06060606
5.97014925
5.88235294
5.79710145
5.71428571
5.63380282
5.55555556
5.47945205
5.40540541
5.33333333
5.26315789
5.19480519
5.12820513
5.06329114
5

-20.9868893
-21.0652845
-21.141406
-21.2153541
-21.2872241
-21.3571065
-21.425088
-21.4912508
-21.5556735
-21.6184313
-21.6795959
-21.7392359
-21.7974168
-21.8542014
-21.90965

Grfico K vs. T

2500
2000
1500
K

1000
500
0
0

200 400 600 800 1000 1200 1400 1600 1800 2000 2200
T

Grfico Ln K vs. 1/T


10
5
0
Ln K

-5 0

10

20

30

-10
-15
-20
-25
(1/T)x10^4
(1/K)

40

50

60