Reactions

Reaction Type

Reaction heat, DH˚_R

(MJ/kmol)

k = ATⁿexp(−E/RT)

(n = 0)

Reference

A

E (J/kmol)

Heterogeneous Reactions

R 1

C(s) + 1/2 O₂ → CO

Partial Combustion

−110.5

0.052

6.1 × 10⁷

[18]

R 2

C(s) + CO₂ → 2CO

Gasification,

Boudouard Reaction

+172.0

0.0732

1.125 × 10⁸

[18]

R 3

C(s) + H₂O → CO + H₂

Gasification

+131.4

0.0782

1.15 × 10⁸

[18]

Homogeneous Reactions

R 4

CO + 1/2 O₂ → CO₂

Combustion

−283.1

2.2 × 10¹²

1.67 × 10⁸

[19]

R 5

CO + H₂O(g) « CO₂ + H₂

Water Gas Shift

−41.0

2.75 × 10¹⁰

8.38 × 10⁷

[20]

R 6

CO + 3H₂ « CH₄ + H₂O

Methanation

−205.7

k_f = 5.12 × 10⁻¹⁴

2.73 × 10⁴

[20]

k_b = 4.4 × 10¹¹

1.68 × 10⁸

[21]

R 7

CH_2.761O_0.264N_0.055S_0.048Cl_0.005 → 0.256CO + 0.466H₂ + 0.33 CH₄ + 0.2C₂H₂ + 0.0275N₂ + 0.005HCl + 0.04H₂S

+ 0.008COS

Two-step Volatiles Cracking for IL-6 Coal

+ 4.75

Eddy dissipation

R 8

CH_3.187O_0.336N_0.06S_0.01

→ 0.8575H₂ + 0.334CO + 0.264CH₄ + 0.2C₂H₂ + 0.03N₂ + 0.008H₂S + 0.002COS

Two-step Volatiles Cracking for WK-11 coal

+140

Eddy dissipation

R 9

CH₄ + 1/2 O₂ → CO + 2H₂

Volatiles Gasification via CH₄

−35.71

R10

C₂H₂ + O₂ → 2CO + H₂

Volatiles Gasification via C₂H₂

−447.83

R11

H₂ + 1/2 O₂→ H₂O

Oxidation

−242

6.8 × 10¹⁵

1.68 × 10⁸

[20]

1) All DH°_R at 298K and 1 atm. 2) “ + ” Endothermic (absorbing heat), “−” Exothermic (releasing heat)