Combustion Equilibrium Calculations

a1

a2

a3

a4

CH4

7.918404

-11.41722

63.73457

-75.25691

C2H6

2.387968408

34.57751611

2.497260449

-18.36373457

C3H8

6.8008

28.71

62.349

-107.19

n-C4H10

-39.772

412.9

-991.74

1325

n-C5H12

-2.857971878

128.8347906

-90.84176048

48.23747357

N2

7.709928

-5.503897

13.12136

-11.67955

O2

7.361141

-5.369589

20.54179

-25.86526

CO2

4.324933

20.80895

-22.9459

16.84483

H2O

7.98886

-1.506271

6.661376

-4.65597

CO

7.812249

-6.668293

17.28296

-17.28709

NO

8.462334

-10.40669

27.54876

-30.28119

H2

6.183042

4.710657

-10.92135

12.54086

OH

7.6151

-1.936

0.877

2.6153

4.968

5.974134

-4.241883

7.931254

-7.94423

Ar

4.9681

4.826714

20.13927

-22.13612

15.85518

T initial (K)

298.15

0.29815

here we account

T final (K)

1500

1.5

for units in To and Tfinal

cal to kcal

0.001

N2O

hi0 (cal/mol)
CH4
C2H6
C3H8
n-C4H10
n-C5H12
N2
O2
CO2
H2O
CO
NO

following Prothero (1969)

si0 (cal/mol-K)

Gi0 (cal/mol)

hi0 (J/mol)

H2
OH
H
O
Ar
N2O
ln KR = -vi Gi0/RT

KR

Reaction

CO2=CO+.5O2

R2

N2+O2=2NO

R3

H2O=H2+.5O2

R4

H2O=.5H2+OH

R5

H2=2H

R6

O2=2O

R7

N2+0.5O2=N2O

R8

a5

a6

Hf0(cal/mol)

a7

43.29269

-12.56732

1.469695

-17895

10.38081242

-2.320482071

0.1714010338

-20033.4608

69.802

-21.101

2.4476

-24891

-926.75

317.38

-42.031

-30183

-21.97105629

6.792072625

-0.9221203575

-35076.48184

5.233997

-1.173185

0.103883

15.94566

-4.85889

0.5861501

-7.935665

2.121672

-0.2408713

-94054

1.696464

-0.3706212

0.03992444

-57798

8.860125

-2.314819

0.2447785

-26417

17.18511

-4.95726

0.5755281

21580

-7.016263

1.923395

-0.2084091

-2.6909

0.97789

-0.12695

9432

52100

4.403357

-1.271341

0.1491408

59559

-7.265313

1.897833

-0.2117446

19610

cal to joules

si0 (J/mol-K)

4.1868

Gi0 (J/mol)

Hf0(J/mol)

Sf0(cal/mol-K)
44.49

-74922.786

CH4

54.9713

-83876.09367744

C2H6

64.355

-104213.6388

C3H8

74.045

-126370.1844

n-C4H10

83.1739

-146858.214167712

n-C5H12

45.77

N2

49.004

O2

51.072

-393785.2872

CO2

45.106

-241988.6664

H2O

47.214

-110602.6956

CO

50.347

90351.144

NO

31.208

H2

43.88

39489.8976

OH

27.392

218132.28

38.468

249361.6212

36.983

Ar

52.546

82103.148

N2O