Combustion

Search in book...
Toggle Font Controls
Create new playlist

Name your new playlist

Playlist description (optional)
Sign In

Email address

Password

Forgot Password?

or

Continue with Facebook

Continue with Google
Sign Up

Full Name

Email address

Confirm Email Address

Password

or

Continue with Facebook

Continue with Google

		A	n	E
NH Reactions
8.40	NH + M ⇄ N + H + M	2.65 × 10¹⁴	0.00	315.93
8.41	N + HO₂ ⇄ NH + O₂	1.00 × 10¹³	0.00	8.37
8.42	NH + O₂ ⇄ NO + OH	7.60 × 10¹⁰	0.00	6.40
8.43	NH + O₂ ⇄ HNO + O	3.89 × 10¹³	0.00	74.85
8.44	N + H₂ ⇄ NH + H	1.60 × 10¹⁴	0.00	105.19
8.45	NH + O ⇄ N + OH	3.72 × 10¹³	0.00	0.00
8.46	NH + O ⇄ NO + H	5.50 × 10¹³	0.00	0.00
8.47	NH + OH ⇄ N + H₂O	5.00 × 10¹¹	0.50	8.37
8.48	NH + OH ⇄ HNO + H	2.00 × 10¹³	0.00	0.00
8.49	NH + N ⇄ N₂ + H	3.00 × 10¹³	0.00	0.00
8.50	NH + NO ⇄ N₂ + OH	2.16 × 10¹³	−0.23	0.00
8.51^c	NH + NO ⇄ N₂O + H	2.94 × 10¹⁴	−0.40	0.00
		−2.16 × 10¹³	−0.23	0.00
8.52	HNO + N ⇄ NH + NO	1.00 × 10¹³	0.00	8.37
8.53	NH + NO₂ ⇄ HNO + NO	1.00 × 10¹¹	0.50	16.74
8.54	NH + NH ⇄ N₂ + H + H	5.10 × 10¹³	0.00	0.00
NH₂ Reactions
8.55	NH₂ + M ⇄ NH + H + M	3.98 × 10²³	−2.00	382.44
8.56	NH₂ + H ⇄ NH + H₂	7.20 × 10⁵	2.32	6.65
8.57	NH₂ + O ⇄ HNO + H	6.63 × 10¹⁴	−0.50	0.00
8.58	NH₂ + O ⇄ NH + OH	6.75 × 10¹²	0.00	0.00
8.59	NH₂ + OH ⇄ NH + H₂O	4.00 × 10¹²	2.00	4.18
8.60	NH₂ + O₂ ⇄ HNO + OH	1.78 × 10¹²	0.00	62.34
8.61^c	NH₂ + NO ⇄ N₂ + H₂O	1.30 × 10¹⁶	−1.25	0.00
		−2.80 × 10¹³	−0.55	0.00
8.62	NH₂ + NO ⇄ N₂O + H₂	5.00 × 10¹³	0.00	103.09
8.63	NH₂ + NO ⇄ HNO + NH	1.00 × 10¹³	0.00	167.36
8.64	NH₂ + NO₂ ⇄ N₂O + H₂O	2.84 × 10¹⁸	−2.20	0.00
NH₃ Reactions
8.65	NH₃ + M ⇄ NH₂ + H + M	2.20 × 10¹⁶	0.00	391.08
8.66	NH₃ + H ⇄ NH₂ + H₂	6.38 × 10⁵	2.39	42.68
8.67	NH₃ + O ⇄ NH₂ + OH	9.40 × 10⁶	1.94	27.03
8.68	NH₃ + OH ⇄ NH₂ + H₂O	2.04 × 10⁶	2.04	2.37
8.69	NH₂ + HO₂ ⇄ NH₃ + O₂	3.00 × 10¹¹	0.00	92.05
8.70	NH₂ + NH₂ ⇄ NH₃ + NH	5.00 × 10¹³	0.00	41.84
Table Continued

		A	n	E
NNH Reactions
8.71	NNH + M ⇄ N₂ + H + M	1.00 × 10¹⁴	0.00	12.47
8.72	NNH + H ⇄ N₂ + H₂	1.00 × 10¹⁴	0.00	0.00
8.73	NNH + OH ⇄ N₂ + H₂O	5.00 × 10¹³	0.00	0.00
8.74	NH₂ + NO ⇄ NNH + OH	2.80 × 10¹³	−0.55	0.00
8.75	NNH + NO ⇄ HNO + N₂	5.00 × 10¹³	0.00	0.00
8.76	NNH + NH ⇄ N₂ + NH₂	5.00 × 10¹³	0.00	0.00
8.77	NNH + NH₂ ⇄ N₂ + NH₃	5.00 × 10¹³	0.00	0.00
N₂H₂ Reactions
8.78	N₂H₂ + M ⇄ NNH + H + M	1.00 × 10¹⁶	0.00	207.94
8.79	N₂H₂ + M ⇄ NH + NH + M	3.16 × 10¹⁶	0.00	415.89
8.80	N₂H₂ + H ⇄ NNH + H₂	1.00 × 10¹³	0.00	4.16
8.81	NH + NH₂ ⇄ N₂H₂ + H	3.16 × 10¹³	0.00	4.16
8.82	N₂H₂ + O ⇄ NNH + OH	1.00 × 10¹¹	0.50	0.00
8.83	N₂H₂ + OH ⇄ NNH + H₂O	1.00 × 10¹³	0.00	8.33
8.84	NH₂ + NH₂ ⇄ N₂H₂ + H₂	3.98 × 10¹³	0.00	49.79
8.85	N₂H₂ + HO₂ ⇄ NNH + H₂O₂	1.00 × 10¹³	0.00	8.33
8.86	NNH + NNH ⇄ N₂H₂ + N₂	1.00 × 10¹³	0.00	41.59
8.87	N₂H₂ + NH ⇄ NNH + NH₂	1.00 × 10¹³	0.00	4.16
8.88	N₂H₂ + NH₂ ⇄ NNH + NH₃	1.00 × 10¹³	0.00	16.61
N₂H₃ Reactions
8.89	N₂H₃ + M ⇄ N₂H₂ + H + M	1.00 × 10¹⁶	0.00	207.94
8.90	N₂H₃ + M ⇄ NH₂ + NH + M	1.00 × 10¹⁶	0.00	174.47
8.91	N₂H₃ + H ⇄ NH₂ + NH₂	1.58 × 10¹²	0.00	0.00
8.92	N₂H₃ + H ⇄ NH + NH₃	1.00 × 10¹¹	0.00	0.00
8.93	N₂H₃ + H ⇄ N₂H₂ + H₂	1.00 × 10¹²	0.00	8.33
8.94	N₂H₃ + O ⇄ N₂H₂ + OH	3.16 × 10¹¹	0.5	0.00
8.95	N₂H₃ + O ⇄ NNH + H₂O	3.16 × 10¹¹	0.50	0.00
8.96	N₂H₃ + OH ⇄ N₂H₂ + H₂O	1.00 × 10¹³	0.00	8.33
8.97	N₂H₃ + HO₂ ⇄ N₂H₂ + H₂O₂	1.00 × 10¹³	0.00	8.33
8.98	NH₃ + NH₂ ⇄ N₂H₃ + H₂	7.94 × 10¹¹	0.50	90.37
8.99	N₂H₂ + NH₂ ⇄ NH + N₂H₃	1.00 × 10¹¹	0.50	141.42
8.100	N₂H₃ + NH₂ ⇄ N₂H₂ + NH₃	1.00 × 10¹¹	0.50	0.00
8.101	N₂H₂ + N₂H₂ ⇄ NNH + N₂H₃	1.00 × 10¹³	0.00	41.59
N₂H₄ Reactions
8.102	N₂H₄ + M ⇄ NH₂ + NH₂ + M	4.00 × 10¹⁵	0.00	171.13
8.103	N₂H₄ ⇄ + M ⇄ N₂H₃ + H + M	1.00 × 10¹⁵	0.00	266.10
Table Continued

		A	n	E
8.104	N₂H₄ + H ⇄ N₂H₃ + H₂	1.29 × 10¹³	0.00	10.46
8.105	N₂H₄ + H ⇄ NH₂ + NH₃	4.46 × 10⁹	0.00	12.97
8.106	N₂H₄ + O ⇄ N₂H₂ + H₂O	6.31 × 10¹³	0.00	4.98
8.107	N₂H₄ + O ⇄ N₂H₃ + OH	2.51 × 10¹²	0.00	4.98
8.108	N₂H₄ ⇄ + OH ⇄ N₂H₃ + H₂O	3.98 × 10¹³	0.00	0.00
8.109	N₂H₄ + HO₂ ⇄ N₂H₃ + H₂O₂	3.98 × 10¹³	0.00	8.33
8.110	N₂H₄ + NH ⇄ NH₂ + N₂H₃	1.00 × 10¹²	0.00	8.33
8.111	N₂H₄ + NH₂ ⇄ N₂H₃ + NH₃	3.98 × 10¹¹	0.50	8.33
8.112	N₂H₃ + N₂H₂ ⇄ N₂H₄ ⇄ + NNH	1.00 × 10¹³	0.00	41.59
8.113	N₂H₄ + N₂H₂ ⇄ N₂H₃ + N₂H₃	2.50 × 10¹⁰	0.50	124.68
NO₃ Reactions
8.114^b^,^d	NO₂ + O ⇄ NO₃, k_∞	1.33 × 10¹³	0.00	0.00
	NO₂ + O + M ⇄ NO₃ + M, k₀	1.49 × 10²⁸	−4.08	10.32
	F_c = 0.79–1.8 × 10⁻⁴T
	ε_Ar = 0.63
8.115	NO₂ + NO₂ ⇄ NO₃ + NO	9.64 × 10⁹	0.73	87.53
8.116	NO₃ + H ⇄ NO₂ + OH	6.00 × 10¹³	0.00	0.00
8.117	NO₃ + O ⇄ NO₂ + O₂	1.00 × 10¹³	0.00	0.00
8.118	NO₃ + OH ⇄ NO₂ + HO₂	1.40 × 10¹³	0.00	0.00
8.119	NO₃ + HO₂ ⇄ NO₂ + O₂ + OH	1.50 × 10¹²	0.00	0.00
8.120	NO₃ + NO₂ ⇄ NO + NO₂ + O₂	5.00 × 10¹⁰	0.00	12.30
HNO₃ Reactions
8.121^b^,^d	NO₂ + OH ⇄ HNO₃, k_∞	2.41 × 10¹³	0.00	0.00
	NO₂ + OH + M ⇄ HNO₃ + M, k₀	6.42 × 10³²	−5.49	9.83
	F_c = 0.725–2.5 × 10⁻⁴T
	ε_Ar = 0.63
8.122	NO + HO₂ + M ⇄ HNO₃ + M	2.23 × 10¹²	−3.50	9.20
8.123	HNO₃ + OH ⇄ NO₂ + HO₂	1.03 × 10¹⁰	0.00	−5.19
8.124	NO₃ + HO₂ ⇄ HNO₃ + O₂	5.60 × 10¹¹	0.00	0.00

Allen MT, Yetter RA, Dryer FL. The decomposition of nitrous oxide at 1.5 ≤ P ≤ 10.5 atm and 1103 ≤ T ≤ 1173 K. Int J Chem Kinet 1995;27:883–909. Allen MT, Yetter RA, Dryer FL. High pressure studies of moist carbon monoxide/nitrous oxide kinetics. Combust Flame 1997;109:449–70.

Table C9

HCl/N_xO_y/CO/H₂/O₂ Mechanism^a

		A	n	E
HCl and Cl Reactions
9.1	Cl + H + M ⇄ HCl + M	7.20 × 10²¹	−2.00	0.00
9.2	Cl + HO₂ ⇄ HCl + O₂	1.08 × 10¹³	0.00	−1.38
9.3	HCl + H ⇄ Cl + H₂	1.69 × 10¹³	0.30	17.32
9.4	HCl + O ⇄ Cl + OH	3.37 × 10³	2.87	14.67
9.5	HCl + OH ⇄ Cl + H₂O	2.71 × 10⁷	1.65	−0.93
9.6	Cl + H₂O₂ ⇄ HCl + HO₂	6.62 × 10¹²	0.00	8.16
9.7	Cl + HCO ⇄ HCl + CO	1.00 × 10¹⁴	0.00	0.00
9.8	Cl + HNO ⇄ HCl + NO	9.00 × 10¹³	0.00	4.16
9.9	Cl + HONO ⇄ HCl + NO₂	5.00 × 10¹³	0.00	0.00
Cl₂ Reactions
9.10	Cl + Cl + M ⇄ Cl₂ + M	4.68 × 10¹⁴	0.00	−7.53
9.11	Cl₂ + H ⇄ Cl + HCl	8.59 × 10¹³	0.00	4.90
ClO Reactions
9.12	ClO + O ⇄ Cl + O₂	5.70 × 10¹³	0.00	1.52
9.13	Cl + HO₂ ⇄ ClO + OH	2.42 × 10¹³	0.00	9.62
9.14	ClO + CO ⇄ Cl + CO₂	6.03 × 10¹¹	0.00	30.96
9.15	Cl₂ + O ⇄ ClO + Cl	2.52 × 10¹²	0.00	11.38
9.16	ClO + NO ⇄ Cl + NO₂	3.85 × 10¹²	0.00	0.59
HOCl Reactions
9.17	HOCl ⇄ Cl + OH	1.76 × 10²⁰	−3.01	237.32
9.18	HOCl ⇄ ClO + H	8.12 × 10¹⁴	−2.09	392.00
9.19	HOCl ⇄ HCl + OH	9.55 × 10¹³	0.00	31.88
9.20	ClO + H₂ ⇄ HOCl + H	6.03 × 10¹¹	0.00	59.00
9.21	HOCl + O ⇄ ClO + OH	6.03 × 10¹²	0.00	18.28
9.22	HOCl + OH ⇄ ClO + H₂O	1.81 × 10¹²	0.00	4.14
9.23	HCO + ClO ⇄ HOCl + CO	3.16 × 10¹³	0.00	0.00
9.24	HOCl + Cl ⇄ Cl₂ + OH	1.81 × 10¹²	0.00	1.09
9.25	HOCl + Cl ⇄ ClO + HCl	7.62 × 10¹²	0.00	0.75
CClO Reactions
9.26	COCl + M ⇄ Cl + CO + M	1.30 × 10¹⁴	0.00	33.47
9.27	COCl + O₂ ⇄ ClO + CO₂	7.94 × 10¹⁰	0.00	13.81
9.28	COCl + H ⇄ HCl + CO	1.00 × 10¹⁴	0.00	0.00
9.29	COCl + O ⇄ ClO + CO	1.00 × 10¹⁴	0.00	0.00
Table Continued

		A	n	E
9.30	COCl + O ⇄ Cl + CO₂	1.00 × 10¹³	0.00	0.00
9.31	COCl + OH ⇄ HOCl + CO	3.30 × 10¹²	0.00	0.00
9.32	COCl + Cl ⇄ Cl₂ + CO	4.00 × 10¹⁴	0.00	3.35
NOCl Reactions
9.33^b	NOCl + M ⇄ Cl + NO + M	2.51 × 10¹⁵	0.00	133.47
	$ε_{H_{2}}$ $ε_{H_{2}}$ = 1.6, $ε_{{CO}_{2}}$ $ε_{{CO}_{2}}$ = 3.5, ε_NO = 1.38
9.34	NOCl + H ⇄ HCl + NO	4.60 × 10¹³	0.00	3.73
9.35	NOCl + O ⇄ ClO + NO	5.00 × 10¹²	0.00	12.55
9.36	NOCl + Cl ⇄ Cl₂ + NO	2.41 × 10¹³	0.00	0.00

Table C10

O₃/N_xO_y/CO/H₂/O₂ Mechanism^a

		A	n	E
O₃ Reactions
10.1	O + O₂ ⇄ O₃, k_∞	1.69 × 10¹²	0.00	0.00
	O + O₂ + M ⇄ O₃ + M, k₀	1.78 × 10²¹	−2.80	0.00
10.2	O₃ + H ⇄ O₂ + OH	8.43 × 10¹³	0.00	3.91
10.3	O₃ + O ⇄ O₂ + O₂	4.81 × 10¹²	0.00	17.13
10.4	O₃ + OH ⇄ O₂ + HO₂	1.15 × 10¹²	0.00	8.31
10.5	O₃ + H₂O ⇄ O₂ + H₂O₂	6.20 × 10¹	0.00	0.00
10.6	O₃ + HO₂ ⇄ 2O₂ + OH	8.43 × 10⁹	0.00	4.99
10.7	O₃ + CO ⇄ O₂ + CO₂	6.02 × 10²	0.00	0.00
10.8	O₃ + HCO ⇄ O₂ + H + CO₂	5.00 × 10¹¹ (@ 298 K)
10.9	O₃ + N ⇄ O₂ + NO	6.00 × 10⁷ (@ 298 K)
10.10	O₃ + NO ⇄ O₂ + NO₂	1.08 × 10¹²	0.00	11.39
10.11	O₃ + NO₂ ⇄ O₂ + NO₃	7.22 × 10¹⁰	0.00	20.37

Atkinson R, Baulch DL, Cox RA, Hampson Jr RF, Kerr JA, Troe J. Evaluated kinetic and photochemical data for atmospheric chemistry. Supplement IV. IUPAC subcommittee on gas kinetic data evaluation for atmospheric chemistry. J Phys Chem Ref Data 1992;21(No. 6):1125–568.

Table C11

SO_x/N_xO_y/CO/H₂/O₂ Mechanism^a

		A	n	E
S and SO Reactions
11.1^b	SO + M ⇄ S + O + M	4.00 × 10¹⁴	0.00	448.96
11.1^b	$ε_{N_{2}}$ $ε_{N_{2}}$ = 1.5, $ε_{{SO}_{2}}$ $ε_{{SO}_{2}}$ = 10, $ε_{H_{2} O}$ $ε_{H_{2} O}$ = 10
11.2	S + OH ⇄ SO + H	4.00 × 10¹³	0.00	0.00
11.3	S + O₂ ⇄ SO + O	5.20 × 10⁶	1.81	−4.99
SO₂ Reactions
11.4^b^,^c	SO + O ⇄ SO₂, k_∞	3.20 × 10¹³	0.00	0.00
	SO + O + M ⇄ SO₂ + M, k₀	1.21 × 10²¹	−1.54	0.00
	α = 0.8, T^∗∗∗ = 1.0 × 10⁻³⁰,T^∗ = 1.0 × 10⁺³⁰
	$ε_{N_{2}}$ $ε_{N_{2}}$ = 1.5, $ε_{{SO}_{2}}$ $ε_{{SO}_{2}}$ = 10, $ε_{H_{2} O}$ $ε_{H_{2} O}$ = 10
11.5	SO + OH ⇄ SO₂ + H	1.10 × 10¹⁷	−1.35	0.00
11.6	SO + O₂ ⇄ SO₂ + O	7.60 × 10³	2.37	12.47
11.7	SO₂ + CO ⇄ SO + CO₂	2.70 × 10¹²	0.00	202.03
11.8	SO + NO₂ ⇄ SO₂ + NO	8.40 × 10¹²	0.00	0.00
11.9	SO + SO ⇄ SO₂ + S	2.00 × 10¹²	0.00	16.63
SO₃ Reactions
11.10^b	SO₂ + O ⇄ SO₃, k_∞	9.20 × 10¹⁰	0.00	9.98
	SO₂ + O + M ⇄ SO₃ + M, k₀	4.00 × 10²⁸	−4.00	21.97
	$ε_{{SO}_{2}}$ $ε_{{SO}_{2}}$ = 10, $ε_{H_{2} O}$ $ε_{H_{2} O}$ = 10
11.11	SO₂ + OH ⇄ SO₃ + H	4.90 × 10²	2.69	99.58
11.12	SO₃ + O ⇄ SO₂ + O₂	2.00 × 10¹²	0.00	83.14
11.13	SO₂ + NO₂ ⇄ SO₃ + NO	6.30 × 10¹²	0.00	112.97
11.14	SO₃ + SO ⇄ SO₂ + SO₂	1.00 × 10¹²	0.00	41.57
SH Reactions
11.15	SH + O₂ ⇄ SO + OH	1.90 × 10¹³	0.00	74.83
11.16	S + H₂ ⇄ SH + H	1.40 × 10¹⁴	0.00	80.65
11.17	SH + O ⇄ SO + H	1.00 × 10¹⁴	0.00	0.00
11.18	SH + OH ⇄ S + H₂O	1.00 × 10¹³	0.00	0.00
H₂S Reactions
11.19^b	H₂S + M ⇄ S + H₂ + M	1.60 × 10²⁴	−2.61	372.50
11.19^b	$ε_{N_{2}}$ $ε_{N_{2}}$ = 1.5, $ε_{{SO}_{2}}$ $ε_{{SO}_{2}}$ = 10, $ε_{H_{2} O}$ $ε_{H_{2} O}$ = 10
11.20	H₂S + H ⇄ SH + H₂	1.20 × 10⁷	2.10	2.93
11.21	H₂S + O ⇄ SH + OH	7.50 × 10⁷	1.75	12.14
11.22	H₂S + OH ⇄ SH + H₂O	2.70 × 10¹²	0.00	0.00
11.23	H₂S + S ⇄ SH + SH	8.30 × 10¹³	0.00	30.76
Table Continued

		A	n	E
HSO Reactions
11.24^b	SO + H + M ⇄ HSO + M	5.00 × 10¹⁵	0.00	0.00
11.24^b	$ε_{N_{2}}$ $ε_{N_{2}}$ = 1.5, $ε_{{SO}_{2}}$ $ε_{{SO}_{2}}$ = 10, $ε_{H_{2} O}$ $ε_{H_{2} O}$ = 10
11.25	HSO + O₂ ⇄ SO₂ + OH	1.00 × 10¹²	0.00	41.84
11.26	HSO + H ⇄ SH + OH	4.90 × 10¹⁹	−1.86	6.53
11.27	HSO + H ⇄ S + H₂O	1.60 × 10⁹	1.37	−1.42
11.28	HSO + H ⇄ H₂S + O	1.10 × 10⁶	1.03	43.51
11.29	HSO + H ⇄ SO + H₂	1.00 × 10¹³	0.00	0.00
11.30	HSO + O ⇄ SO + OH	1.40 × 10¹³	0.15	1.26
11.31	HSO + O ⇄ SO₂ + H	4.50 × 10¹⁴	−0.40	0.00
11.32	HSO + OH ⇄ SO + H₂O	1.70 × 10⁹	1.03	1.67
11.33	SH + HO₂ ⇄ HSO + OH	1.00 × 10¹²	0.00	0.00
HOS Reactions
11.34	HSO + O ⇄ HOS + O	4.80 × 10⁸	1.02	22.34
HSO₂ Reactions
11.35^b	HSO₂ ⇄ SO₂ + H, k_∞	2.00 × 10¹¹	0.90	76.82
	HSO₂ + M ⇄ SO₂ + H + M, k₀	3.50 × 10²⁵	−3.29	79.81
	$ε_{{SO}_{2}}$ $ε_{{SO}_{2}}$ = 10, $ε_{H_{2} O}$ $ε_{H_{2} O}$ = 10
11.36	HSO + O + M ⇄ HSO₂ + M	1.10 × 10¹⁹	−1.73	−0.21
11.36	$ε_{N_{2}}$ $ε_{N_{2}}$ = 1.5, $ε_{{SO}_{2}}$ $ε_{{SO}_{2}}$ = 10, $ε_{H_{2} O}$ $ε_{H_{2} O}$ = 10
11.37	HSO₂ + O₂ ⇄ SO₂ + HO₂	1.00 × 10¹³	0.00	0.00
11.38	HSO₂ + H ⇄ SO₂ + H₂	3.00 × 10¹³	0.00	0.00
11.39	HSO₂ + OH ⇄ SO₂ + H₂O	1.00 × 10¹³	0.00	0.00
HOSO Reactions
11.40^b	SO + OH ⇄ HOSO, k_∞	1.60 × 10¹²	0.50	−1.66
	SO + OH + M ⇄ HOSO + M, k₀	9.50 × 10²⁷	−3.48	4.07
	$ε_{N_{2}}$ $ε_{N_{2}}$ = 1.5, $ε_{{SO}_{2}}$ $ε_{{SO}_{2}}$ = 10, $ε_{H_{2} O}$ $ε_{H_{2} O}$ = 10
11.41^b	HSO + O + M ⇄ HOSO + M	6.90 × 10¹⁹	−1.61	6.65
11.41^b	$ε_{N_{2}}$ $ε_{N_{2}}$ = 1.5, $ε_{{SO}_{2}}$ $ε_{{SO}_{2}}$ = 10, $ε_{H_{2} O}$ $ε_{H_{2} O}$ = 10
11.42	HOSO + M ⇄ HOS + O + M	2.50 × 10³⁰	−4.80	498.00
11.43^b^,^c	HOSO ⇄ SO₂ + H, k_∞	1.70 × 10¹⁰	0.80	196.21
	HOSO + M ⇄ SO₂ + H + M, k₀	1.50 × 10³¹	−4.53	206.19
	α = 0.3, T^∗∗∗ = 1.0 × 10⁻³⁰, T^∗ = 1.0 × 10⁺³⁰
	$ε_{{SO}_{2}}$ $ε_{{SO}_{2}}$ = 10, $ε_{H_{2} O}$ $ε_{H_{2} O}$ = 10
11.44^b^,^c	HOSO ⇄ HSO₂, k_∞	1.00 × 10⁹	1.03	207.85
	HOSO + M ⇄ HSO₂ + M, k₀	1.70 × 10³⁵	−5.64	232.80
	α = 0.3, T^∗∗∗ = 1.0 × 10⁻³⁰, T^∗ = 1.0 × 10⁺³⁰
	$ε_{{SO}_{2}}$ $ε_{{SO}_{2}}$ = 10, $ε_{H_{2} O}$ $ε_{H_{2} O}$ = 10
Table Continued

		A	n	E
11.45	HOSO + O₂ ⇄ SO₂ + HO₂	1.00 × 10¹²	0.00	4.18
11.46	HOSO + H ⇄ SO + H₂O	6.30 × 10⁻¹⁰	6.29	−7.95
11.47	HOSO + H ⇄ SO₂ + H₂	3.00 × 10¹³	0.00	0.00
11.48	HSO + OH ⇄ HOSO + H	5.30 × 10⁷	1.57	15.69
11.49	SO₂ + OH ⇄ HOSO + O	3.90 × 10⁸	1.89	317.98
11.50	SO₃ + H ⇄ HOSO + O	2.50 × 10⁵	2.92	210.46
11.51	HOSO + OH ⇄ SO₂ + H₂O	1.00 × 10¹²	0.00	0.00
11.52	HSO + NO₂ ⇄ HOSO + NO	5.80 × 10¹²	0.00	0.00
H₂SO Reactions
11.53	HSO + H ⇄ H₂SO	1.80 × 10¹⁷	−2.47	0.21
11.54	H₂SO ⇄ H₂S + O	4.90 × 10²⁸	−6.66	300.00
HSOH Reactions
11.55	HSO + H ⇄ HSOH	2.50 × 10²⁰	−3.14	3.85
11.56	HSOH ⇄ SH + OH	2.80 × 10³⁹	−8.75	314.64
11.57	HSOH ⇄ S + H₂O	5.80 × 10²⁹	−5.60	228.03
11.58	HSOH ⇄ H₂S + O	9.80 × 10¹⁶	−3.40	361.92
HOSHO Reactions
11.59	HSO + OH ⇄ HOSHO	5.20 × 10²⁸	−5.44	13.26
11.60	HOSHO ⇄ HOSO + H	6.40 × 10³⁰	−5.89	308.78
11.61	HOSHO + H ⇄ HOSO + H₂	1.00 × 10¹²	0.00	0.00
11.62	HOSHO + O ⇄ HOSO + OH	5.00 × 10¹²	0.00	0.00
11.63	HOSHO + OH ⇄ HOSO + H₂O	1.00 × 10¹²	0.00	0.00
HOSO₂ Reactions
11.64^b^,^c	SO₂ + OH ⇄ HOSO₂, k_∞	7.20 × 10¹²	0.00	2.99
	SO₂ + OH + M ⇄ HOSO₂ + M, k₀	4.50 × 10²⁵	−3.30	2.99
	α = 0.7, T^∗∗∗ = 1.0 × 10⁻³⁰, T^∗ = 1.0 × 10⁺³⁰
	$ε_{N_{2}}$ $ε_{N_{2}}$ = 1.5, $ε_{{SO}_{2}}$ $ε_{{SO}_{2}}$ = 10, $ε_{H_{2} O}$ $ε_{H_{2} O}$ = 10
11.65	HOSO₂ ⇄ HOSO + O	5.40 × 10¹⁸	−2.34	444.76
11.66	HOSO₂ ⇄ SO₃ + H	1.40 × 10¹⁸	−2.91	229.70
11.67	HOSO₂ + O₂ ⇄ SO₃ + HO₂	7.80 × 10¹¹	0.00	2.74
11.68	HOSO₂ + H ⇄ SO₂ + H₂O	1.00 × 10¹²	0.00	0.00
11.69	HOSO₂ + O ⇄ SO₃ + OH	5.00 × 10¹²	0.00	0.00
11.70	HOSO₂ + OH ⇄ SO₃ + H₂O	1.00 × 10¹²	0.00	0.00
S₂ Reactions
11.71	S₂ + M ⇄ S + S + M	4.80 × 10¹³	0.00	322.58
11.72	SH + S ⇄ S₂ + H	1.00 × 10¹³	0.00	0.00
11.73	S₂ + O ⇄ SO + S	1.00 × 10¹³	0.00	0.00
11.74	SH + SH ⇄ S₂ + H₂	1.00 × 10¹²	0.00	0.00
Table Continued

		A	n	E
HS₂ Reactions
11.75^b	S₂ + H + M ⇄ HS₂ + M	1.00 × 10¹⁶	0.00	0.00
11.75^b	$ε_{N_{2}}$ $ε_{N_{2}}$ = 1.5, $ε_{{SO}_{2}}$ $ε_{{SO}_{2}}$ = 10, $ε_{H_{2} O}$ $ε_{H_{2} O}$ = 10
11.76	HS₂ + H ⇄ S₂ + H₂	1.20 × 10⁷	2.10	2.99
11.77	HS₂ + O ⇄ S₂ + OH	7.50 × 10⁷	1.80	12.14
11.78	HS₂ + OH ⇄ S₂ + H₂O	2.70 × 10¹²	0.00	0.00
11.79	HS₂ + S ⇄ S₂ + SH	8.30 × 10¹³	0.00	30.76
H₂S₂ Reactions
11.80^b	HS₂ + H + M ⇄ H₂S₂ + M	1.00 × 10¹³	0.00	0.00
11.80^b	$ε_{N_{2}}$ $ε_{N_{2}}$ = 1.5, $ε_{{SO}_{2}}$ $ε_{{SO}_{2}}$ = 10, $ε_{H_{2} O}$ $ε_{H_{2} O}$ = 10
11.81	H₂S₂ + H ⇄ HS₂ + H₂	1.20 × 10⁷	2.10	2.99
11.82	H₂S₂ + O ⇄ HS₂ + OH	7.50 × 10⁷	1.80	12.14
11.83	H₂S₂ + OH ⇄ HS₂ + H₂O	2.70 × 10¹²	0.00	0.00
11.84	H₂S₂ + S ⇄ HS₂ + SH	8.30 × 10¹³	0.00	30.76

The combustion chemistry group at Lawrence Livermore National Laboratory (LLNL) has available detailed mechanisms for hydrogen and various hydrocarbons (e.g., ethanol, dimethyl ether, dimethyl carbonate, CH₄, C₂H₄, C₂H₆, C₃H₆, C₃H₈, nC₄H₁₀, methyl butanoate, methyl formate, heptane, iso-octane, and cyclohexane) (http://www-pls.llnl.gov/?url=science_and_technology-chemistry-combustion).

Other examples include the Leeds University and Eötvös University CH₄/SO_x/NO_x mechanisms (http://garfield.chem.elte.hu/Combustion/methane.htm), the University of Galway Combustion Chemistry Center mechanisms (http://c3.nuigalway.ie/mechanisms.html), the Princeton University mechanisms (F.L. Dryer) (http://www.princeton.edu/∼combust/database/other.html), the University of California–San Diego mechanisms (http://web.eng.ucsd.edu/mae/groups/combustion/mechanism.html), and the University of Southern California Combustion Kinetics Laboratory mechanisms (http://ignis.usc.edu/Mechanisms/Modelrelease.html).

The NIST Chemical Kinetics Model Database Web site (http://kinetics.nist.gov/kinetics/index.jsp) is a good resource for chemical kinetic models, thermochemical property data, and elementary rate coefficients. The book Gas-Phase Combustion Chemistry, edited by W.C. Gardiner, Jr. (Springer-Verlag, New York, NY, 1999), also lists many detailed mechanisms for different fuels that are available in technical papers and from the Internet.

Critical reviews of reaction rate data are constantly appearing in the literature and are an important source for mechanism construction. Some examples of reaction rate constant reviews are given below.

1. Baulch DL, Bowman CT, Cobos CJ, Cox RA, Just Th, Kerr JA, Pilling MJ, Stocker D, Troe J, Tsang W, Walker RW, Warnatz J. Evaluated kinetic data for combustion modeling: supplement II. J Phys Chem Ref Data 2005;34:757. Baulch DL, Cobos C, Cox RA, Frank P, Hayman G, Just Th, Kerr JA, Murrells T, Murrells MJ, Pilling MJ, Troe J, Walker RW, Warnatz J. Supplement I. J Phys Chem Ref Data 1994;23:847. Baulch DL, Cobos CJ, Cox RA, Esser C, Frank P, Just Th, Kerr JA, Pilling MJ, Troe J, Walker RW, Warnatz J. Evaluated kinetic data for combustion modeling. J Phys Chem Ref Data 1992;21:411.

2. Gardiner Jr WC. Gas-phase combustion chemistry. NY: Springer-Verlag; 1999. Dean AM, Bozzelli JW. Chapter 2. Combustion chemistry of nitrogen. Hynes AJ, Wine PH. Chapter 3. Kinetics and mechanism of the oxidation of gaseous sulfur compounds. Senkan SM. Survey of rate coefficients in the C–H–Cl–O system. Burcat A, Gardiner Jr WC. Chapter 5. Ideal gas thermochemical data for combustion and air pollution use.

3. Tsang W, Herron JT. Chemical kinetic data base for propellant combustion I. Reactions involving NO, NO₂, HNO, HNO₂, HCN, and N₂O. J Phys Chem Ref Data 1991;20:609. Tsang W. II. Reactions involving CN, NCO, and HNCO. J Phys Chem Ref Data 1992;21:750.

4. Tsang W, Hampson RF. Chemical kinetic data for combustion chemistry. Part 1. Methane and related compounds. J Phys Chem Ref Data 1986;15:1087. Tsang W. Part 2. Methanol. J Phys Chem Ref Data 1987;16:471. Tsang W. Part 3. Propane. J Phys Chem Ref Data 1988;17:887. Tsang W. Part 4. Isobutane. J Phys Chem Ref Data 1990;19:1. Part 5. Propene. J Phys Chem Ref Data 1991;20:221.

5. Warnatz J. Rate coefficients in the C/H/O system, Chapter 5, Hanson RK, Salimian S. Survey of rate constants in the N/H/O system, Chapter 6, in Combustion Chemistry, Gardiner Jr WC, editor. NY: Springer-Verlag; 1985.

6. Cohen N, Westberg KR. Chemical kinetic data sheets for high temperature reactions. Part I. J Phys Chem Ref Data 1983;12:531. Part II. J Phys Chem Ref Data 1991;20:1211.

7. Atkinson R, Baulch DL, Cox RA, Hampson Jr RF, Kerr JA, Rossi MJ, Troe J. Evaluated kinetic and photochemical data for atmospheric chemistry. Supplement VI. IUPAC subcommittee on gas kinetic data evaluation for atmospheric chemistry. J Phys Chem Ref Data 1997;26:1329. Atkinson R, Baulch DL, Cox RA, Hampson Jr RF, Kerr JA, Troe J. Supplement IV. IUPAC subcommittee on gas kinetic data evaluation for atmospheric chemistry. J Phys Chem Ref Data 1992;21:1125. Supplement III. J Phys Chem Ref Data 1989:18:881. Supplement II. J Phys Chem Ref Data 1984;13:1259. Supplement I. J Phys Chem Ref Data 1982;11:327. J Phys Chem Ref Data 1980;9:295.

In order to take advantage of the developing cyber infrastructure, the Process Information Model (PrIMe) has been introduced for developing predictive models of chemical reaction systems based on the scientific collaboratory paradigm. PrIMe makes use of advances in computer science that allow assembly and manipulation of large amounts of combustion chemistry data that may be distributed over different sources using Web-based computer networks. PrIMe consists of a data depository, a data library, and a set of computer-based tools for processing and assembling the data. More information can be found at http://primekinetics.org.

..................Content has been hidden....................

You can't read the all page of ebook, please click here login for view all page.

Table of Contents for Combustion

Create new playlist

Sign In

Sign Up

Table of Contents for
Combustion