Foundational Fuel Chemistry Model 1.0

Rate Evaluation (in ChemKin Format)

#	Reaction	A (cm³-mol-s units)	n	E (cal/mol)	Uncertainty Factor	Source /Reference	Comments
1	H+O2=O+OH	1.04E+14	0	15310	1.15	HDB11	The recent expression of Hong et al (2011) was used, which considers their measurements and the considerable number of good literature values.
2	O+H2=H+OH	3.82E+12	0	7950	1.6	BBC05	Dual rate constant expressions and uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005); Arrhenius expressions are added, and dominate at low and high temperatures respectively.
3	O+H2=H+OH	8.79E+14	0	19180	1.6	BBC05	See above.
4	OH+H2=H+H2O	2.16E+08	1.51	3437	1.2	MS88, LDH13	The expression of Michael and Sutherland (1988) represents their high temperature experimental results and a review of the literature data. Very similar to the BBC05 recommendation. The uncertainty value is taken from LDH13.
5	2OH=O+H2O	3.35E+04	2.42	-1928	1.4	BBC05	Rate constant expression and uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005)
6	H2+M=2H+M	4.58E+19	-1.4	104390	3	TS86, CW83	Rate constant expression and uncertainty from the evaluation of Tsang & Hampson (1986), originating from the review by Cohen and Westberg (1983).
	H2/2.5/ H2O/12./ CO/1.9/ CO2/3.8/ AR/0.0/ HE/0.0/ CH4/2./ CH2O/2.5/ C2H6/3./ CH3OH/3./					LZK04, GRIMech	Relative efficiencies are taken from the mechanism and evaluation of Li et al. (2004). For larger molecules without data, the generic GRIMech values were used.
7	H2+AR=2H+AR	5.84E+18	-1.1	104390	2	TH86, CW83	Rate constant expression and uncertainty from the evaluation of Tsang & Hampson (1986), originating from the review by Cohen and Westberg (1983).
8	H2+HE=2H+HE	5.84E+18	-1.1	104390	2	LZK04	Assume He rate same as Ar
9	2O+M=O2+M	6.16E+15	-0.5	0	3	TH86	Rate constant expression and uncertainty from the evaluation of Tsang & Hampson (1986).
	H2/2.5/ H2O/12./ CO/1.9/ CO2/3.8/ AR/0.0/ HE/0.0/ CH4/2./ CH2O/2.5/ C2H6/3./ CH3OH/3./					LZK04, GRIMech	Relative efficiencies are taken from the mechanism and evaluation of Li et al. (2004). For larger molecules without data, the generic GRIMech values were used.
10	2O+AR=O2+AR	1.89E+13	0	-1788	3	TH86	Rate constant expression and uncertainty from the evaluation of Tsang & Hampson (1986).
11	2O+HE=O2+HE	1.89E+13	0	-1788	3	LZK04	Assume He rate same as Ar
12	O+H+M=OH+M	4.71E+18	-1	0	5	TH86	Rate constant expression and uncertainty estimated in the evaluation of Tsang & Hampson (1986).
	H2/2.5/ H2O/12./ CO/1.9/ CO2/3.8/ AR/.75/ HE/.75/ CH4/2./ CH2O/2.5/ C2H6/3./ CH3OH/3./					LZK04	Relative efficiencies are taken from the mechanism and evaluation of Li et al. (2004). For larger molecules without data, the generic GRIMech values were used.
13	H2O+M=H+OH+M	6.06E+27	-3.322	120800	3.2	SM06	Rate constant expression from Srinivasan & Michael (2006), who measured decomposition for Ar and H2O bath gas, and also considered reverse recombination data. (BBC05 recommendation is slower)
	H2/3./ CO/1.9/ CO2/3.8/ O2/ N2/2./ HE/1.1/ H2O/0.0/ CH4/2./ CH2O/2.5/ C2H6/3./ CH3OH/3./					SM06, GRIMech	Recommended relative efficiencies from SM06 were used, with generic GRIMech values for missing colliders.
14	H2O+H2O=H+OH+H2O	1.01E+26	-2.44	120200	3.2	SM06	Rate constant expression from Srinivasan & Michael (2006), who measured decomposition for Ar and H2O bath gas, and also considered reverse recombination data. (BBC05 recommendation is slower)
15	H+O2(+M)=HO2(+M)	4.65E+12	0.44	0	2	Tr00	The falloff parameter and theoretical high pressure limit rate expression is from Troe (2000).
	LOW	6.37E+20	-1.72	525	2	BCJ12, MSS02	The low pressure limit expression and relative efficiencies are from the mechanism and review of Burke et al. (2012) for N2, taken from the measurements and analysis of Michael et al. (2002). Hydrocarbon efficiencies are from GRIMech. The CO2 efficiency is a recent revision.
	TROE 0.5	30	90000	90000
	H2/2./ H2O/14./ CO/1.9/ CO2/2.88/ O2/.78/ AR/.67/ HE/.8/ CH4/2./ CH2O/2.5/ C2H6/3./ CH3OH/3./
16	HO2+H=H2+O2	3.68E+06	2.087	-1455	2	MSH00	Rate expression from an ab initio calculation of the equilibrium reverse reaction from Michael et al (2000) consistent with room temperature data and their shock tube results for H2 + O2.
17	HO2+H=2OH	7.08E+13	0	300	2	MKY99	Rate constant expression from the reanalysis and evaluation of Mueller et al. (1999), which gives a lower activation energy (and high temperature rate extrapolation) than TH86 or BBC05.
18	HO2+H=O+H2O	1.45E+12	0	0	3	BBC05	Rate constant expression and uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005)
19	HO2+O=OH+O2	1.63E+13	0	-445	3	BBC05	Rate constant expression and uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005)
20	HO2+OH=H2O+O2	7.00E+12	0	-1093	1.6	HLS13	Rate constant expressions and uncertainties taken from the study and review by Hong et al. (2013), and represent low and high temperature mechanisms respectively.
21	HO2+OH=H2O+O2	4.50E+14	0	10930	1.35	HLS13	Rate constant expressions and uncertainties taken from the study and review by Hong et al. (2013), and represent low and high temperature mechanisms respectively. High temperature measurements were made in this work.
22	2HO2=H2O2+O2	1.94E+11	0	-1409	1.5	KLT02	Rate constant expressions and uncertainties taken from the study and review by Kappel et al. (2002), and represent low and high temperature mechanisms respectively.
23	2HO2=H2O2+O2	1.03E+14	0	11040	2	KLT02	Rate constant expressions and uncertainties taken from the study and review by Kappel et al. (2002), and represent low and high temperature mechanisms respectively. High temperature rate determinations were made in this work, as well as HLS13 which supports these rate expressions.
24	H2O2(+M)=2OH(+M)	2.00E+12	0.9	48750	2.5	Tr11	Rate constant and falloff expressions from the analysis, review, and recommendations for Troe (2011) in Ar. Relative efficiencies also from Troe (2011), with some extra values from GRIMech. The Fc value is that for Ar.
	LOW	2.49E+24	-2.3	48750
	TROE 0.58	30	90000	90000
	H2O/7.5/ H2O2/7.7/ CO2/1.6/ O2/1.2/ H2/3.7/ N2/1.5/ HE/.65/ CH4/2./ CH2O/2.5/ C2H6/3./ CH3OH/3./
25	H2O2+H=OH+H2O	2.41E+13	0	3970	2	TH86	Rate constant expression from the review and evaluation of Tsang & Hampson (1986).
26	H2O2+H=HO2+H2	4.82E+13	0	7950	2	TH86	Rate constant expression from the review and evaluation of Tsang & Hampson (1986).
27	H2O2+O=OH+HO2	9.63E+06	2	3970	3	TH86	Rate constant expression and uncertainty estimate from the review and evaluation of Tsang & Hampson (1986).
28	H2O2+OH=H2O+HO2	1.74E+12	0	318	2	HCD10	Rate constant expressions and uncertainties taken from the study and review by Hong et al. (2010), and represent low and high temperature mechanisms respectively.
29	H2O2+OH=H2O+HO2	7.59E+13	0	7270	1.3	HCD10	Rate constant expressions and uncertainties taken from the study and review by Hong et al. (2010), and represent low and high temperature mechanisms respectively. High temperature measurements were made in this work.
30	CO+O(+M)=CO2(+M)	1.80E+10	0	2430	10	Troe75	Rate constant expressions taken from the review by Troe (1975) for this spin-forbidden reaction. Lindemann falloff (Fc=1) was assumed. Low pressure limit rates based on analysis of CO2 decomposition data. High pressure value is an estimate, and recent theoretical calculations (JD13) indicate a faster rate.
	LOW	1.40E+21	-2.1	5500
	H2/2.5/ H2O/12./ CO/1.9/ CO2/3.8/ AR/.87/ CH4/2./ CH2O/2.5/ C2H6/3./ CH3OH/3./					LZK07	Relative efficiencies are taken from the mechanism and evaluation of Li et al. (2004). For larger molecules without data, the generic GRIMech values were used.
31	CO+O2=O+CO2	2.53E+12	0	47700	10	TH86	Rate constant expression from the evaluation of Tsang and Hampson (1986), taken from an earlier review by Baulch. We adopted a larger uncertainty.
32	CO+OH=H+CO2	7.05E+04	2.053	-356	1.2	JW06	Rate constant expressions from the analysis of available data by Joshi & Wang (2006). The 2 expressions added reflect reaction at higher and lower temperatures respectively.
33	CO+OH=H+CO2	5.76E+12	-0.664	332	1.5	JW06	Rate constant expressions from the analysis of available data by Joshi & Wang (2006). The 2 expressions added reflect reaction at higher and lower temperatures respectively.
34	CO+HO2=OH+CO2	1.57E+05	2.18	17944	2	YWG07	Rate constant expression and uncertainty estimate from the theoretical calculations of You et al (2007), which agree with the mechanism values used by Mueller et al (MYD99). Several other expressions and data are faster.
35	HCO+M=H+CO+M	4.80E+17	-1.2	17734	1.7	FHD02	Rate constant expression is from RRKM calculations by Friedrichs et al. (2002) which fit their shock tube decomposition data in Ar near 1000K. Relative efficiencies are from GRIMech for this reaction.
	CO/1.5/ CO2/2./ H2O/12./ CH4/2./ CH2O/2.5/ C2H6/3./ CH3OH/3./
36	HCO+H=H2+CO	9.03E+13	0	0	2.5	BBC05	Rate constant expression from the combustion chemistry review and evaluation of Baulch et al.(2005)
37	HCO+O=OH+CO	3.01E+13	0	0	2	BBC05	Rate constant expression and uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005)
38	HCO+O=H+CO2	3.01E+13	0	0	2	BBC05	Rate constant expression and uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005)
39	HCO+OH=H2O+CO	1.08E+14	0	0	2	BBC05	Rate constant expression and uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005)
40	HCO+O2=HO2+CO	7.83E+10	0.521	-521	2	Kl11	Rate constant expression is that recommended by Klippenstein (2011) based on theoretical calculations adjusted upward by 1.3 to roughly match the measured rates of DeSain et al. (DJH01). These lie near the mean of scattered experimental data.
41	C+OH=H+CO	5.00E+13	0	0	3	GRIMech	An estimate from GMK(1986) used in GRIMech.
42	C+O2=O+CO	6.62E+13	0	636	2	BBC05	Rate constant expression and average uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005)
43	CH+H=C+H2	1.10E+14	0	0	1.5	DDK91	Rate constant from Dean et al. (1991) determined from high temperature measurements of the reverse rate.
44	CH+O=H+CO	5.70E+13	0	0	3.2	MCF80	Rate constant from the room temperature measurement of Messing et al. (1980).
45	CH+OH=H+HCO	3.00E+13	0	0	3	GRIMech	An estimate from GMK(1986) used in GRIMech.
46	CH+H2=H+CH2	1.75E+14	0	3320	3	BBC05	Rate constant expression from the combustion chemistry review and evaluation of Baulch et al.(2005)
47	CH+H2(+M)=CH3(+M)	5.13E+13	0.15	0	2	BBC05	Rate constant expression, pressure dependence, and uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005). Fc is a refit from their expression. Relative collider efficiencies are from GRIMech.
	LOW	2.43E+22	-1.6	0
	TROE 0.514	152	22850	10350
	HE/.7/ AR/.7/ CO/1.5/ CO2/2./ H2O/6./ CH4/2./ CH2O/2.5/ C2H6/3./ CH3OH/3./
48	CH+H2O=H+CH2O	3.43E+12	0	-884	3	ZFL88, BPP99	Rate constant expression is the result of an average from these 2 temperature dependent studies.
49	CH+O2=O+HCO	1.84E+08	1.43	1200	1.6	BBC05	Baulch et al (2005) recommend a higher rate for high temperatures. Our adopted expression is a fit to their 2 values and ranges. Product branch is also from Baulch.
50	CH+O2=CO2+H	2.77E+08	1.43	1200	1.6	BBC05	See above.
51	CH+O2=CO+OH	1.84E+08	1.43	1200	1.6	BBC05	See above.
52	CH+O2=>O+H+CO	2.77E+08	1.43	1200	1.6	BBC05	See above.
53	CH+CO(+M)=HCCO(+M)	1.02E+15	-0.4	0	2	BBC05	Rate constant expression, pressure dependence, and uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005). (Fc=.6; ko should be ~20% lower.) Relative collider efficiencies are from GRIMech.
	LOW	3.26E+24	-2.5	0
	TROE 0.4	30	90000	90000
	HE/.7/ AR/.7/ CO/1.5/ CO2/2./ H2O/6./ CH4/2./ CH2O/2.5/ C2H6/3./ CH3OH/3./
54	CH+CO2=HCO+CO	6.38E+07	1.51	-715	1.7	BBC05	Rate constant expression and average uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005)
55	CH2+H(+M)=CH3(+M)	2.13E+13	0.32	0	2.5	FH97, ST94	The high pressure rate constant expression is from the analysis of Fulle & Hippler (1997). The low pressure expression is from the analysis of methyl decomposition data in Ar by Su & Teitelbaum (1994). The Fc expression is a fit to their values. Relative efficiencies are from GRIMech.
	LOW	1.39E+34	-5.04	7400
	TROE 0.405	258	2811	9908
	HE/.7/ AR/.7/ CO/1.5/ CO2/2./ H2O/6./ CH4/2./ CH2O/2.5/ C2H6/3./ CH3OH/3./
56	CH2+O=>2H+CO	8.00E+13	0	0	2.5	Her88	Rate constant from the evaluation of Herron (1988). Dissociated products were chosen for the highly exothermic reaction.
57	CH2+OH=H+CH2O	2.86E+13	0.12	-162	3	GRIMech	An estimate used in GRIMech from Tsang & Hampson (1986) and Miller & Bowman (1989).
58	CH2+OH=CH+H2O	8.63E+05	2.02	6776	3	JKH07	Rate constant expression is the theoretical TST result from Jasper et al. (2007).
59	CH2+HO2=OH+CH2O	2.00E+13	0	0	6	TH86	Estimated value from Tsang & Hampson (1986), as rounded off in GRIMech.
60	CH2+H2=H+CH3	5.00E+05	2	7230	9	GRIMech	An estimate from GRIMech based on rate constants for CH2+CH4, O+H2, and O+CH4.
61	CH2+O2=>OH+H+CO	2.79E+12	0	1000	2	BTW92, BKP11	Rate constant expression from the low temperature dependent measurement of Bley et al. (1992). Product branching fractions are taken from the measurements and analysis of Blitz et al.(2011).
62	CH2+O2=>2H+CO2	2.01E+12	0	1000	2	BTW92, BKP11	Rate constant expression from the low temperature dependent measurement of Bley et al. (1992). Product branching fractions are taken from the measurements and analysis of Blitz et al.(2011).
63	CH2+O2=O+CH2O	1.57E+12	0	1000	2	BTW92, BKP11	Rate constant expression from the low temperature dependent measurement of Bley et al. (1992). Product branching fractions are taken from the measurements and analysis of Blitz et al.(2011).
64	CH2+O2=H2+CO2	1.83E+12	0	1000	2	BTW92, BKP11	Rate constant expression from the low temperature dependent measurement of Bley et al. (1992). Product branching fractions are taken from the measurements and analysis of Blitz et al.(2011).
65	CH2+O2=H2O+CO	5.20E+11	0	1000	2	BTW92, BKP11	Rate constant expression from the low temperature dependent measurement of Bley et al. (1992). Product branching fractions are taken from the measurements and analysis of Blitz et al.(2011).
66	CH2+C=H+C2H	5.00E+13	0	0	10	MB89	Estimated by Miller & Bowman (1989)
67	CH2+CH=H+C2H2	4.00E+13	0	0	6	GRIMech	likely an estimate, original source unknown
68	CH2+CH2=>2H+C2H2	2.00E+14	0	10989	3.2	BKW95	Rate constant expressions from the high temperature determinations of Bauerle et al. (1995).
69	2CH2=H2+H2CC	1.60E+15	0	11944	3.2	BKW95	Rate constant expressions from the high temperature determinations of Bauerle et al. (1995).
70	CH2(S)+N2=CH2+N2	1.20E+13	0	471	2	BBC05	Quenching rate constant expression and uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005)
71	CH2(S)+AR=CH2+AR	9.00E+12	0	600	1.6	GRIMech	Taken from GRIMech 3, which averaged 4 literature measurements and 2 consistent temperature dependent studies.
72	CH2(S)+HE=CH2+HE	6.62E+12	0	755	2.5	BBC05	Quenching rate constant expression and uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005)
73	CH2(S)+H=CH+H2	3.00E+13	0	0	3	TH86	Rate constant expression and uncertainty estimates from the review of Tsang & Hampson (1986).
74	CH2(S)+O=>2H+CO	3.00E+13	0	0	5	TH86	Total rate constant expression from the review of Tsang & Hampson (1986), based on an evaluation by Laufer. We have however assigned the entire very exothermic reaction to the 2H product channel, rather than half to H2.
75	CH2(S)+OH=H+CH2O	3.00E+13	0	0	3	GRIMech	An estimate from Tsang(1987) used in GRIMech, with the lowest energy products chosen.
76	CH2(S)+H2=CH3+H	6.80E+13	0	0	2	Average	An average of 5 room temperature studies: 4 listed in BBC05 & GBP08. A lack of temperature dependence was assumed.
77	CH2(S)+O2=CH2+O2	3.13E+13	0	0	2.5	BBC05	Quenching rate constant expression and average uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005); 100% quenching and 0% reaction
78	CH2(S)+H2O(+M)=CH3OH(+M)	2.94E+12	0.053	-1897	3	JKHR07	Rate constant expressions are from the multichannel RRKM/ME theory calculations on the CH3OH system by Jasper et al.(2007). When necessary, multiple expressions have been summed and refit, and/or reversed through the equilibrium constant. Relative third body efficiencies from GRIMech.
	LOW	1.68E+41	-7.192	5777
	TROE 0.992	943	47310	47110
	CO/1.5/ CO2/2./ H2O/6./ CH4/2./ CH2O/2.5/ C2H6/3./ CH3OH/3./
79	CH2(S)+H2O=CH2+H2O	1.51E+13	0	-431	2.5	BBC05	Quenching rate constant expression and uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005)
80	CH2(S)+H2O=H2+CH2O	6.67E+21	-3.134	3300	4	JKHR07(deriv.)	The rate constant expression for the chemical activation low pressure limit rate constant is a fit to values computed with the Multiwell master equation code (Ba01), using LaPlace transforms of the CH3OH high pressure limit theoretical CH3OH decomposition rate constants from Jasper at al.(2007)
81	CH2(S)+H2O2=OH+CH3O	1.29E+14	-0.138	0	3	Estimated	Estimated from the rate for CH2(S)+H2O=OH+CH3 ??
82	CH2(S)+CO=CH2+CO	9.00E+12	0	0	1.4	GRIMech	Taken from GRIMech 3, which averaged 2 studies and assumed the quenching channel is 30%. Oxirane product would then likely account for the remaining 70%, and undergo the reverse decomposition at higher temperatures. (That channel is omitted.)
83	CH2(S)+CO2=CH2+CO2	1.33E+13	0	0	2.5	KTW90	Rate constant from the measurement of Koch et al (1990). Assumes a 33% reaction yield.
84	CH2(S)+CO2=CO+CH2O	6.62E+12	0	0	2.5	KTW90	Rate constant from the measurement of Koch et al (1990). Assumes a 33% reaction yield.
85	HCO+H(+M)=CH2O(+M)	1.86E+14	-0.033	-142	3	Troe07	Rate constant and falloff expressions for both formaldehyde decomposition channels from the review and analysis of Troe(2007). Values for k(inf) originate in Troe(2005). Relative collider efficiencies are from GRIMech.
	LOW	4.19E+34	-5.533	6128
	TROE 0.782	271	2755	6570
	HE/.7/ AR/.7/ CO/1.5/ CO2/2./ H2O/6./ CH4/2./ CH2O/2.5/ C2H6/3./ CH3OH/3./
86	CH2O(+M)=H2+CO(+M)	3.70E+13	0	71976	2.5	Troe07	Rate constant and falloff expressions for both formaldehyde decomposition channels from the review and analysis of Troe(2007). Values for k(inf) originate in Troe(2005). Relative collider efficiencies are from GRIMech.
	LOW	4.40E+38	-6.1	94000
	TROE 0.932	197	1540	10300
	HE/.7/ AR/.7/ CO/1.5/ CO2/2./ H2O/6./ CH4/2./ CH2O/2.5/ C2H6/3./ CH3OH/3./
87	CH2O+H=HCO+H2	5.74E+07	1.9	2742	2	IKH93	The rate constant expression is from a TST calculation by Idram et al. (1993) that provides good consensus agreement with previous measurements and theory, and accompanying high temperature experiments.
88	CH2O+O=OH+HCO	4.16E+11	0.57	2762	1.6	BBC05	Rate constant expression and average uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005)
89	CH2O+OH=HCO+H2O	7.82E+07	1.63	-1055	2	VDK05	Rate constant expression is a fit by Vasudevan et al.(2005) to their shock tube data and lower temperature experimental results.
90	CH2O+O2=HO2+HCO	2.44E+05	2.5	36460	3	BBC05	Rate constant expression and high temperature uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005)
91	CH2O+HO2=HCO+H2O2	4.11E+04	2.5	10210	3	EYG98	Rate constant expression from Eiteneer et al.(1998), obtained from fitting their shock tube experiments and obtaining agreement with other experimental determinations.
92	CH2O+CH=H+CH2CO	9.64E+13	0	-517	10	ZFL88	Rate constant expression is from the measurements of Zabarnick et al. (1988). The exothermic product channel assumes H loss after the insertion reaction, rather than any rearrangement (CH3+CO is the most exothermic possible product).
93	CH2O+CH2=CH3+HCO	7.40E-02	4.21	1120	4	WZZ06	VTST and quantum calculation of theoretical rate constant expression by Wang et al (2006). NIST database notes inconsistencies in values.
94	CH2O+CH2(S)=CH3+HCO	1.33E+13	0	-550	3	Estimated	Estimated from CH2(S)+C2H6 of Wagener(1990), adjusting for number of H (1/3)
95	CH2O+C2H=C2H2+HCO	5.40E+03	2.81	5862	5	Estimated	Set equal to the Tsang & Hampson (1986) rate expression for the C2H3 and CH3 reactions.
96	CH2O+C2H3=C2H4+HCO	5.40E+03	2.81	5862	5	TH86	Rate constant expression and uncertainty estimate from the review of Tsang & Hampson (1986), from their rate for the analogous CH3 reaction.
97	CH3+H(+M)=CH4(+M)	2.11E+14	0	0	2	CT90, Gol08	Golden(2008) reviewed the extensive literature recombination and decomposition data and determined a consistent set of falloff rate theory parameters to fit and extrapolate results, which are adopted here. The k(inf) expression originates with Cobos & Troe(1990). Relative collider efficiencies are from GRIMech.
	LOW	7.93E+24	-2.17	0
	TROE 0.124	1801	33.1	90000
	HE/.7/ AR/.7/ CO/1.5/ CO2/2./ H2O/6./ CH4/2./ CH2O/2.5/ C2H6/3./ CH3OH/3./
98	CH3+O=H+CH2O	5.39E+13	0	0	1.4	avg.BBC05	The rate constant value is an average of the 8 experimental determinations listed by BBC05. The product branching fraction measurements listed for H+H2+CO vary from ~.2-.4, and a central value of 30% was chosen. There is no apparent significant temperature dependence.
99	CH3+O=>H+H2+CO	2.31E+13	0	0	1.4	avg.BBC05	The rate constant value is an average of the 8 experimental determinations listed by BBC05. The product branching fraction measurements listed for H+H2+CO vary from ~.2-.4, and a central value of 30% was chosen. There is no apparent significant temperature dependence.
100	CH3+OH(+M)=CH3OH(+M)	6.21E+13	-0.018	-33	2	JKHR07	Rate constant expressions are from the multichannel RRKM/ME theory calculations on the CH3OH system by Jasper et al.(2007). Multiple k(o) expressions have been summed and refit. Relative third body efficiencies from GRIMech.
	LOW	7.24E+36	-6	3226
	TROE 0.1855	156	1675	4530
	CO/1.5/ CO2/2./ H2O/6./ CH4/2./ CH2O/2.5/ C2H6/3./ CH3OH/3./
101	CH3+OH=CH2+H2O	4.29E+04	2.57	3998	2	JKHR07	Rate constant expression is the result of a TST calculation for abstraction by Jasper et al.(2007).
102	CH3+OH=CH2(S)+H2O	1.08E+16	-0.91	546	3	BBC05	Rate constant expression and uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005). (Theory of JKHR07 is slower.)
103	CH3+OH=H2+CH2O	2.72E+09	0.734	-2177	3	JKHR07	Low pressure limit chemical activation rate constant expression from the multichannel RRKM/ME theory calculations on the CH3OH system by Jasper et al.(2007). When necessary, multiple expressions have been summed and refit, and/or reversed through the equilibrium constant.
104	CH3+HO2=O2+CH4	2.02E+05	2.745	51750	3 (revise)	JKH09, SMH06	Rate constant expression is given by Jasper et al.(2009) from a variational TST calculation. This resulted from a theoretical and experimental study of the reverse reaction by Srinivasan et al (SMH06).
105	CH3+HO2=OH+CH3O	1.04E+13	0	-590	3	SYD01, ZL01	Rate constant expression uses the 1000K result(95%) from flow reactor experiments and modeling of Scire et al.(2001) and the temperature dependence from the theoretical study by Zhu & Lin(2001). Recent shock tube experiments(HDL12) give half this rate constant.
106	CH3+O2=O+CH3O	7.55E+12	0	28297	2	SSS05	Rate constant expression of Srinivasan et al (2005) from shock tube measurements and a review of other available data. The value from HHB05 at 1500K is 30% lower.
107	CH3+O2=OH+CH2O	6.86E+01	2.86	9768	3	HHB05	Rate constant expression is from the optical diagnostics shock tube determination of Herbon et al.(2005).
108	CH3+C=H+C2H2	5.00E+13	0	0	10	MB89	Estimated by Miller & Bowman (1989)
109	CH3+CH=H+C2H3	3.00E+13	0	0	10	MB89	Estimated by Miller & Bowman (1989)
110	CH3+CH2=H+C2H4	7.23E+13	0	0	3	BBC05	Rate constant expression and uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005)
111	CH3+CH2(S)=H+C2H4	1.40E+13	0	-497	3	Estimated	Estimated from the CH2(S)+CH4 rate constant (3/4*k due to fewer H), as was done in GRIMech
112	2CH3(+M)=C2H6(+M)	2.12E+16	-0.97	620	2	SLG89	Rate constant parameters from the 2 channel RRKM calculation of Stewart et al., which fit recombination and decomposition data. Third body efficiencies are the generic GRIMech values.
	LOW	1.77E+50	-9.67	6220
	TROE 0.5325	151	1038	4970
	HE/.7/ AR/.7/ CO/1.5/ CO2/2./ H2O/6./ CH4/2./ CH2O/2.5/ C2H6/3./ CH3OH/3./
113	2CH3=H+C2H5	5.00E+12	0.1	10600	2	SLG89 CA lo P	Rate constant expression is the low pressure limit chemical activation expression from the 2 channel RRKM calculations of Stewart et al. (This neglects possible falloff at high pressure, when the H+C2H5=C2H6 recombination reaction is not close to the low pressure limit. Only later Chemkin versions accommodate chemical activation falloff.)
114	CH3+HCO=CH4+CO	5.30E+12	0	0	5	Estimated	Rate constant was estimated from the CH3CHO decomposition k(inf) rates by multiplying the reverse CH3+HCO recombination rate by the 20% fraction of the decomposition that forms CH4 product.
115	CH3+CH2O=HCO+CH4	3.19E+01	3.36	4310	2	BBC05	Rate constant expression from the combustion chemistry review and evaluation of Baulch et al(2005)
116	CH3O(+M)=H+CH2O(+M)	1.13E+10	1.21	24085	2	DG13	Rate constant and falloff expressions are from the theoretical analysis of Dames & Golden(2013). Relative third body efficiencies from GRIMech.
	LOW	1.00E-07	-0.547	18024
	TROE 0.341	28	1000	2339
	HE/ 0.67/ AR/ 0.85/ CO/1.5/ CO2/2./ H2O/6./ CH4/2./ CH2O/2.5/ C2H6/3./ CH3OH/3./
117	CH3O+H(+M)=CH3OH(+M)	2.44E+11	0.76	0	3	Estimated	The reverse kinf was estimated from the JKHR07 value for CH3OH->H+CH2OH, with 1/3A and Ea increased by the higher bond energy. For k(o), half the value for H+CH2OH was used, with the same Fc. Relative third body efficiencies from GRIMech.
	LOW	6.70E+40	-7.38	9177
	TROE 0.684	37050	41490	3980
	CO/1.5/ CO2/2./ H2O/6./ CH4/2./ CH2O/2.5/ C2H6/3./ CH3OH/3./
118	CH3O+H=H+CH2OH	1.29E+07	1.82	-703	3	JKHR07(deriv.)	The rate constant expression for the chemical activation low pressure limit rate constant is a fit to values computed with the Multiwell master equation code (Ba01), using LaPlace transforms of the CH3OH high pressure limit theoretical CH3OH decomposition rate constants from Jasper at al.(2007)
119	CH3O+H=H2+CH2O	3.79E+13	0	596	3	BBC05	Rate constant expression and uncertainty estimate (1000K including branching fraction) from the combustion chemistry review and evaluation of Baulch et al.(2005)
120	CH3O+H=OH+CH3	3.88E+14	-0.264	-26	3	JKHR07	Low pressure limit chemical activation rate constant expression from the multichannel RRKM/ME theory calculations on the CH3OH system by Jasper et al.(2007). When necessary, multiple expressions have been summed and refit, and/or reversed through the equilibrium constant.
121	CH3O+H=CH2(S)+H2O	1.97E+11	0.414	243	4	JKHR07(deriv.)	The rate constant expression for the chemical activation low pressure limit rate constant is a fit to values computed with the Multiwell master equation code (Ba01), using LaPlace transforms of the CH3OH high pressure limit theoretical CH3OH decomposition rate constants from Jasper at al.(2007)
122	CH3O+O=OH+CH2O	3.78E+12	0	0	7	BBC05	Rate constant expression and uncertainty estimate (1000K including branching fraction) from the combustion chemistry review and evaluation of Baulch et al.(2005)
123	CH3O+OH=H2O+CH2O	1.81E+13	0	0	5	Tsa87	Rate constant and uncertainty estimated in the review of Tsang (1987).
124	CH3O+O2=HO2+CH2O	6.32E+10	0	2603	2	GSB82	Rate constant expression is from the measurements of Gutman et al. (1982), which provides a good representation of available data. Baulch et al.(BBC05) recommend slower rates at higher temperatures, citing likely reactant decomposition in experiments..
125	CH3O+CH3=CH4+CH2O	2.40E+13	0	0	5	Tsa87	Rate constant and uncertainty estimated in the review of Tsang (1987).
126	CH3O+CO=CH3+CO2	6.00E+12	0	11000	5	LMV73, HSY00	The rate constant expression is an Arrhenius fit averaging the low temperature measurements of Lissi et al(1973) with the shock tube determinations from Hidaka et al.(2000).
127	CH2OH(+M)=H+CH2O(+M)	7.37E+10	0.811	39585	2	DG13	Rate constant and falloff expressions are from the theoretical analysis of Dames & Golden(2013). Relative third body efficiencies from GRIMech.
	LOW	5.00E-11	0.184	17230
	TROE 0.001	50	600	2780
	HE/ 0.67/ AR/ 0.85/ CO/1.5/ CO2/2./ H2O/6./ CH4/2./ CH2O/2.5/ C2H6/3./ CH3OH/3./
128	CH2OH+H(+M)=CH3OH(+M)	6.67E+10	0.96	0	3	JKHR07 refit	Rate constant expressions are from the multichannel RRKM/ME theory calculations on the CH3OH system by Jasper et al.(2007). When necessary, multiple expressions have been summed and refit, and/or reversed through the equilibrium constant. Relative third body efficiencies from GRIMech.
	LOW	1.34E+41	-7.38	9177
	TROE 0.684	37050	41490	3980
	HE/.7/ AR/.7/ CO/1.5/ CO2/2./ H2O/6./ CH4/2./ CH2O/2.5/ C2H6/3./ CH3OH/3./
129	CH2OH+H=H2+CH2O	2.44E+13	0	0	2	BBC05	Rate constant expression and uncertainty estimate (including product fraction) from the combustion chemistry review and evaluation of Baulch et al.(2005)
130	CH2OH+H=OH+CH3	1.60E+13	0.198	-241	2.5	JKHR07	Low pressure limit chemical activation rate constant expression from the multichannel RRKM/ME theory calculations on the CH3OH system by Jasper et al.(2007). When necessary, multiple expressions have been summed and refit, and/or reversed through the equilibrium constant.
131	CH2OH+H=CH2(S)+H2O	1.28E+11	0.516	215	4	JKHR07(deriv.)	The rate constant expression for the chemical activation low pressure limit rate constant is a fit to values computed with the Multiwell master equation code (Ba01), using LaPlace transforms of the CH3OH high pressure limit theoretical CH3OH decomposition rate constants from Jasper at al.(2007)
132	CH2OH+O=OH+CH2O	9.03E+13	0	0	2	GRW88	Rate constant is the room temperature measurement of Grotheer et al.(1988).
133	CH2OH+OH=H2O+CH2O	2.41E+13	0	0	2	Tsa87	Rate constant and uncertainty estimated in the review of Tsang (1987).
134	CH2OH+O2=HO2+CH2O	7.23E+13	0	3736	2	BBC05	High temperature rate constant expression and uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005)
135	CH2OH+CH3=CH4+CH2O	2.40E+13	0	0	5	Tsa87	Rate constant and uncertainty estimated in the review of Tsang (1987).
136	CH4+H=CH3+H2	6.14E+05	2.5	9588	1.5	BBC05	Rate constant expression from the combustion chemistry review and evaluation of Baulch et al.(2005)
137	CH4+O=OH+CH3	6.93E+08	1.56	8485	1.4	BCC94	Rate constant expression and high temperature uncertainty estimate from the earlier combustion chemistry review and evaluation of Baulch et al.(1994), x 0.96 ???
138	CH4+OH=CH3+H2O	1.00E+06	2.182	2446	1.2	SSS05b	Rate constant expression from Srinivasan et al (2005), determined from their high temperature shock tube data and the extensive literature results available.
139	CH4+HO2=CH3+H2O2	4.70E+04	2.5	21000	2.5	BBC05	Rate constant expression and uncertainty estimate (~1200K) from the combustion chemistry review and evaluation of Baulch et al.(2005)
140	CH4+CH=H+C2H4	3.00E+13	0	-397	1.6	BL83	Rate constant expression from the measurements of Bermann & Lin (1983), as recommended by Baulch et al. (BCC92).
141	CH4+CH2=2CH3	2.46E+06	2	8270	2	GRIMech	Rate constant expression from GRIMech is derived from the measurements of BDTW(85) using a T^2 dependence.
142	CH4+CH2(S)=2CH3	1.87E+13	0	-497	1.4	BBC05	Rate constant expression and average uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005); we assume 100% reaction
143	CH4+C2H=CH3+C2H2	1.30E+13	0	600	1.6	OL96, CNP00	A fit to the results of these 2 studies
144	CH3OH+H=CH2OH+H2	1.55E+06	2.351	5912	4	MTF11	Theoretical rate constant expressions from MTF11 for the 2 abstraction channels. The sum gives a reasonable fit to the scattered high temperature experimental data available.
145	CH3OH+H=CH3O+H2	5.49E+06	2.147	11134	4	MTF11	Theoretical rate constant expressions from MTF11 for the 2 abstraction channels. The sum gives a reasonable fit to the scattered high temperature experimental data available.
146	CH3OH+O=OH+CH2OH	2.47E+13	0	5306	1.6	BBC05	Rate constant expression and uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005)
147	CH3OH+O=OH+CH3O	8.20E+12	0	9040	3	Estimated	Rate constant estimated, using 1/3 A from the other abstraction above (#H), and increasing the activation energy according to an Evan-Polanyi relationship between dH and E for H abstraction by O.
148	CH3OH+OH=CH2OH+H2O	1.42E+05	2.3707	-965.15	1.8	HT89, BC91	Rate constant expressions are a fit to the temperature dependent total reaction rate measurements of Hess & Tully (1989) and the TST calculations for the product branching ratio of Bott & Cohen(1991)
149	CH3OH+OH=CH3O+H2O	1.60E+04	2.697	53.255	2.2	HT89, BC91	Rate constant expressions are a fit to the temperature dependent total reaction rate measurements of Hess & Tully (1989) and the TST calculations for the product branching ratio of Bott & Cohen(1991)
150	CH3OH+O2=CH2OH+HO2	3.58E+05	2.27	42760	3	KLD11	Rate constant expression from the theoretical calculations of Klippenstein et al. (KLD11).
151	CH3OH+HO2=CH2OH+H2O2	2.28E-05	5.06	10213	3	KLD11	Rate constant expression (and product) from the theoretical calculations of Klippenstein et al. (KLD11).
152	CH3OH+HO2=CH3O+H2O2	3.34E-02	4.12	16233	3	KLD11	Rate constant expression (and product) from the theoretical calculations of Klippenstein et al. (KLD11).
153	CH3OH+CH=CH3+CH2O	9.04E+18	-1.93	0	3	JBS00	Rate constant expression from the measurements of Johnson et al. (JBS00).
154	CH3OH+CH2=CH3+CH2OH	3.20E+01	3.2	7175	3	Tsa87	Rate constant expression and uncertainty estimated in the review of Tsang (1987), from the rate for the analogous CH3 reaction.
155	CH3OH+CH2=CH3+CH3O	1.45E+01	3.1	6940	3	Tsa87	Rate constant expression and uncertainty estimated in the review of Tsang (1987), from the rate for the analogous CH3 reaction.
156	CH3H+CH2(S)=CH3+CH3O	7.00E+12	0	-550	3	Estimated	Estimated from CH2(S)+C2H6 of Wagener(1990), adjusting for number of H (1/6)
157	CH3OH+CH2(S)=CH3+CH2OH	2.00E+13	0	-550	3	Estimated	Estimated from CH2(S)+C2H6 of Wagener(1990), adjusting for number of H (1/2)
158	CH3OH+CH3=CH2OH+CH4	6.65E+02	3.03	8720	2	AT11, BCC05	Theoretical rate constant expressions from Acelu & Truhlar (2011) were doubled in order to fit the measured overall rate as evaluated from measurements by Baulch et al (BCC05). This should offer better temperature extrapolation and product branching.
159	CH3OH+CH3=CH3O+CH4	2.15E+04	2.27	8710	6	AT11, BCC05	Theoretical rate constant expressions from Acelu & Truhlar (2011) were doubled in order to fit the measured overall rate as evaluated from measurements by Baulch et al (BCC05). This should offer better temperature extrapolation and product branching.
160	CH3OH+C2H=C2H2+CH2OH	6.00E+12	0	0	5	Tsa87	Rate constant and uncertainty estimated in the review of Tsang (1987).
161	CH3OH+C2H=C2H2+CH3O	1.20E+12	0	0	5	Tsa87	Rate constant and uncertainty estimated in the review of Tsang (1987).
162	CH3OH+C2H3=C2H4+CH2OH	3.20E+01	3.2	7175	5	Tsa87	Rate constant expression and uncertainty estimated in the review of Tsang (1987), from the rate for the analogous CH3 reaction.
163	CH3OH+C2H3=C2H4+CH3O	1.45E+01	3.1	6940	5	Tsa87	Rate constant expression and uncertainty estimated in the review of Tsang (1987), from the rate for the analogous CH3 reaction.
164	C2H+H(+M)=C2H2(+M)	2.25E+13	0.32	0	2	HGK05, GRIMech	High pressure limit rate expression from theoretical calculation of Harding et al.(2005). Low pressure and falloff parameters are from RRKM calculations from GRIMech.
	LOW	3.75E+33	-4.8	1900
	TROE 0.646	132	1315	5566
	HE/.7/ AR/.7/ CO/1.5/ CO2/2./ H2O/6./ CH4/2./ CH2O/2.5/ C2H6/3./ CH3OH/3./
165	C2H+O=CH+CO	5.40E+13	0	0	3.2	BDB96	Rate constant taken from the mechanism of BDB96. A later measurement from the same group (DP97) near room temperature indicates a 25% higher rate constant.
166	C2H+OH=H+HCCO	2.00E+13	0	0	5	GRIMech	Estimate from FWR(92).
167	C2H+H2=H+C2H2	2.11E+06	2.32	882	2	BBC05	Rate constant expression and average uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005)
168	C2H+O2=HCO+CO	1.63E+14	-0.35	0	2	BBC05	Rate constant expression and high temperature uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005)
169	HCCO+H=CH2(S)+CO	1.32E+14	0	0	1.6	BBC05	Rate constant expression and uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005)
170	HCCO+O=H+2CO	1.73E+14	-0.112	0	1.6	BBC05	Derived rate constant expression and uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005); the other channel has been subtracted from the recommended total rate and then fit.
171	HCCO+O=CH+CO2	2.95E+13	0	1113	2	BBC05	Rate constant expression and uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005)
172	HCCO+O2=OH+2CO	1.63E+12	0	854	5	BBC05	Rate constant expression and uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005); we assumed the most exothermic products
173	HCCO+CH=CO+C2H2	5.00E+13	0	0	6	MB89	Estimated by Miller & Bowman (1989)
174	HCCO+CH2=C2H3+CO	3.00E+13	0	0	6	MB89	Estimated by Miller & Bowman (1989)
175	2HCCO=2CO+C2H2	1.00E+13	0	0	6	MB89	Estimated by Miller & Bowman (1989)
176	C2H2(+M)=H2CC(+M)	8.00E+14	-0.52	50750	3	LW99	Estimated (??) value from Laskin & Wang (1999). Relative third body efficiencies from GRIMech.
	LOW	2.45E+15	-0.64	49700
	HE/.7/ AR/.7/ CO/1.5/ CO2/2./ H2O/6./ CH4/2./ CH2O/2.5/ C2H6/3./ CH3OH/3./
177	C2H2+H(+M)=C2H3(+M)	5.54E+08	1.64	2096	2	BBC05	Rate constant expressions and uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005). The falloff factor formula is a fit to values from their function. Third body efficiencies relative to N2 are the generic GRIMech values.
	LOW	/3.63E+27	-3.38	847./
	TROE 0.215	10.7	1043	2341./
	HE/.7/ AR/.7/ CO/1.5/ CO2/2./ H2O/6./ CH4/2./ CH2O/2.5/ C2H6/3./ CH3OH/3./
178	C2H2+O=H+HCCO	9.39E+08	1.4	2206	2	BBC05	Rate constant expression and uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005)
179	C2H2+O=CO+CH2	2.35E+08	1.4	2206	3.2	BBC05	Rate constant expression and uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005)
180	C2H2+OH=H+CH2CO	8.67E-01	3.566	-2370	3	SKM05	Rate constant expression for abstraction is from the theoretical study of Senosiain et al (2005).
181	C2H2+OH=C2H+H2O	2.63E+06	2.14	17060	3	SKM05	Rate constant expression derived from the theoretical study of OH addition to acetylene (and rearrangement thereof) by Senosiain et al (2005). We combined channels for CH2CO and HCCOH and refit the sum, since rapid isomerization of HCCOH is (effectively) assumed in our mechanism. The parameters are for the low pressure limit. Stabilization of the C2H2OH adduct is not included in the current mechanism.
182	C2H2+OH=CH3+CO	6.14E+05	1.62	-731	3	SKM05	Rate constant expressions are from the theoretical study of OH addition to acetylene (and rearrangement thereof) by Senosiain et al (2005). The parameters are for the low pressure limit. Stabilization of the C2H2OH adduct is not included in the current mechanism.
183	H2CC+H=C2H2+H	5.00E+13	0	0	2	Estimated	A rapid rate is estimated for this addition/chemical activation reaction. This value may be conservative, given that our H addition rates to C2Hx radicals are 3-4 times faster.,
184	H2CC+OH=CH2CO+H	2.00E+13	0	0	3	Estimated	A rapid rate is expected for this OH addition - H loss chemical activation reaction. The selected value is the same as the OH+C2H choice, although some other OH + radical rates are even faster.
185	H2CC+O2=HCO+HCO	1.00E+13	0	0	5	LW99	Estimated (??) value from Laskin & Wang (1999).
186	CH2+CO(+M)=CH2CO(+M)	8.10E+11	0.5	4510	3	GRIMech	Rate constant expressions are from GRIMech RRKM calculations, which used a 4.5 kcal/mole barrier to fit reverse decomposition data.
	LOW	2.69E+33	-5.11	7095
	TROE 0.591	275	1226	5185
	HE/.7/ AR/.7/ CO/1.5/ CO2/2./ H2O/6./ CH4/2./ CH2O/2.5/ C2H6/3./ CH3OH/3./
187	CH2CO+H=HCCO+H2	4.20E+07	1.9	11850	3	Estimated	Rate constant expression for abstraction was estimated from that for H+C2H6, CH4, with the A factor reduced for the number of H, and the activation energy increased for the enthalpy difference according to the Evans-Polanyi formula of Cohen(1991).
188	CH2CO+H=CH3+CO	7.77E+08	1.45	2780	3	SKM06	Rate constant expression is the theoretical calculation of Senosiain et al (2006) on their computed C3H3O surface for the chemical activation reaction. The parameters are for the low pressure limit, and fit existing experimental data well.
189	CH2CO+O=OH+HCCO	1.00E+13	0	10300	10	Estimated	Rate constant estimated from the Arrhenius expression for O+CH4 from the review of Herron & Huie(1973), with A reduced by 1/2 for the #H and Ea increased by the higher endothermicity.
190	CH2CO+O=CH2+CO2	1.08E+12	0	1351	10	BBC05	Rate constant expression and uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005)
191	CH2CO+O=2HCO	3.61E+11	0	1351	10	BBC05	Rate constant expression and uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005)
192	CH2CO+O=CO+CH2O	3.61E+11	0	1351	10	BBC05	Rate constant expression and uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005)
193	CH2CO+OH=HCCO+H2O	1.12E+04	2.74	2220	10	Estimated	Rate constant expression is estimated at 1/2 that for the abstraction reaction with C2H4, accounting for fewer H.
194	CH2CO+OH=CH3+CO2	6.80E+11	0	-1013	6	BBC05	Rate constant expression and uncertainty estimate (1000K and product) from the combustion chemistry review and evaluation of Baulch et al.(2005)
195	CH2CO+OH=CH2OH+CO	1.01E+12	0	-1013	6	BBC05	Rate constant expression and uncertainty estimate (1000K and product) from the combustion chemistry review and evaluation of Baulch et al.(2005)
196	CH2CO+CH=C2H3+CO	1.45E+14	0	0	2	HH92	Rate constant is the room temperature measurement of Hancock & Heal (1992).
197	C2H3+H(+M)=C2H4(+M)	3.88E+13	0.2	0	2	HGK05, GRIMech	High pressure limit rate expression from theoretical calculation of Harding et al.(2005). Low pressure and falloff parameters are from RRKM calculations from GRIMech.
	LOW	1.40E+30	-3.86	3320
	TROE 0.782	207.5	2663	6095
	HE/.7/ AR/.7/ CO/1.5/ CO2/2./ H2O/6./ CH4/2./ CH2O/2.5/ C2H6/3./ CH3OH/3./
198	C2H3+H=H2+C2H2	1.21E+12	0	0	5	Estimated	Estimated = 2/3k(H+C2H5=H2+C2H4), based on the number of abstractable H and comparable large exothermicities.
199	C2H3+H=H2CC+H2	4.22E+13	0	0	4	BBC05	Rate constant expression from the combustion chemistry review and evaluation of Baulch et al.(2005); we assumed H2CC product not C2H2
200	C2H3+O=H+CH2CO	3.01E+13	0	0	3.2	HHH88	The room temperature rate used here is also recommended by BBC05, whose error estimate is adopted.
201	C2H3+OH=H2O+C2H2	2.10E+13	0	0	3	Estimated	The overall rate constant is the estimate of Tsang & Hampson (1986) for addition. The product branching fractions are from unpublished RRKM/ME calculations of E. Dames. An extra (likely smaller) abstraction path was not included.
202	C2H3+OH=CH3+HCO	6.00E+12	0	0	3	Estimated	The overall rate constant is the estimate of Tsang & Hampson (1986) for addition. The product branching fractions are from unpublished RRKM/ME calculations of E. Dames.
203	C2H3+OH=CH3CO+H	3.00E+12	0	0	3	Estimated	The overall rate constant is the estimate of Tsang & Hampson (1986) for addition. The product branching fractions are from unpublished RRKM/ME calculations of E. Dames.
204	C2H3+O2=HCO+CH2O	4.00E+15	-0.959	580	2	LRA09	The 3 rate constant expressions for this complex chemical activation reaction are from the quantum and rate theory calculations of Lopez et al.(2005) for 1 atm pressure. Two minor product channels and recombination are not included, and the pressure dependence is neglected.
205	C2H3+O2=CH2CHO+O	2.00E+09	0.923	226	3	LRA09	The 3 rate constant expressions for this complex chemical activation reaction are from the quantum and rate theory calculations of Lopez et al.(2005) for 1 atm pressure. Two minor product channels and recombination are not included, and the pressure dependence is neglected.
206	C2H3+O2=C2H2+HO2	4.40E+01	2.95	186	3	LRA09	The 3 rate constant expressions for this complex chemical activation reaction are from the quantum and rate theory calculations of Lopez et al.(2005) for 1 atm pressure. Two minor product channels and recombination are not included, and the pressure dependence is neglected.
207	C2H3+CH3=CH4+C2H2	9.00E+12	0	-765	3	SKS00	Rate constant expression from the 300-900K measurements (including product) of Stoliarov et al. (2000).
208	CH2CHO(+M)=CH2CO+H(+M)	1.43E+15	-0.15	45606	3	SKM06	Rate constant expressions from the theoretical pressure dependent calculations of Senosiain et al.(2006); k(inf) as given, k(o) and Fc from our fit to their results at various temperatures and pressures at/above 1 atm. Relative efficiencies from JetSurf(WDS10) or GRIMech
	LOW	2.44E+29	-3.79	43577
	TROE 0.796	100	50000	34204
	CO/1.5/ CO2/2./ H2O/6./ H2/2./ CH4/2./ CH2O/2.5/ C2H6/3./ CH3OH/3./ C2H2/3./ C2H4/3./

209	CH2CHO(+M)=CH3+CO(+M)	2.93E+12	0.29	40326	3	SKM06	Rate constant expressions from the theoretical pressure dependent calculations of Senosiain et al.(2006); k(inf) as given, k(o) and Fc from our fit to their results at various temperatures and pressures at/above 1 atm. Relative efficiencies from JetSurf(WDS10) or GRIMech
	LOW	2.34E+27	-3.18	33445
	TROE 0.211	199	2032	111702
	CO/1.5/ CO2/2./ H2O/6./ H2/2./ CH4/2./ CH2O/2.5/ C2H6/3./ CH3OH/3./ C2H2/3./ C2H4/3./

210	CH2CHO+H=CH3+HCO	2.20E+13	0	0	5	GRIMech	Rate constant from BEM90 and product branching ratio fromOMM90.
211	CH2CHO+H=CH2CO+H2	1.10E+13	0	0	3	GRIMech	Rate constant from BEM90 and product branching ratio fromOMM90.
212	CH2CHO+H=CH3CO+H	2.20E+13	0	0	5	Estimated	Rate constant estimated equal to the CH3 + HCO channel above.
213	CH2CHO+O=>H+CH2+CO2	1.58E+14	0	0	2	Estimated	Estimated equal to the BBC05 value for CH3CO+O=CO2+CH3
214	CH2CHO+OH=H2O+CH2CO	1.20E+13	0	0	3	GRIMech	Estimated in GRIMech
215	CH2CHO+OH=HCO+CH2OH	3.01E+13	0	0	3	GRIMech	Estimated in GRIMech
216	CH2CHO+O2=>OH+CO+CH2O	2.30E+10	0	0	5	BBC05	Rate constant from the combustion chemistry review and evaluation of Baulch et al.(2005), based on a room temperature addition rate and product branch
217	CH3CO(+M)=CH3+CO(+M)	1.07E+12	0.63	16895	2	SKM06	Rate constant expressions from the theoretical pressure dependent calculations of Senosiain et al.(2006); k(inf) as given, k(o) derived from the expression for 0.01 atm Ar, and Fc from our fit to their results at various temperatures and pressures. Relative efficiencies from JetSurf(WDS10) or GRIMech
	LOW	5.65E+18	-0.97	14585
	TROE 0.360	122	50000	16935
	CO/1.5/ CO2/2./ H2O/6./ H2/2./ CH4/2./ CH2O/2.5/ C2H6/3./ CH3OH/3./ C2H2/3./ C2H4/3./
218	CH3CO+H(+M)=CH3CHO(+M)	9.60E+13	0	0	3	WDS10	Rate constant expressions from the JetSurf mechanism.(WDS10) Some added collider efficiencies from GRIMech. (Found no Tsang references to this reaction.)
	LOW	3.85E+44	-8.569	5500
	TROE 1.0000	2900	2900	5132
	CO/1.5/ CO2/2./ H2O/6./ H2/2./ CH4/2./ CH2O/2.5/ C2H6/3./ CH3OH/3./ C2H2/3./ C2H4/3./
219	CH3CO+H=CH3+HCO	9.60E+13	0	0	3	TH86	Rate constant expression and uncertainty estimate from the review of Tsang & Hampson (1986).
220	CH3CO+O=CH2CO+OH	5.27E+13	0	0	3	BCC05	Rate constant expression and uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005)
221	CH3CO+O=CH3+CO2	1.58E+14	0	0	3	BCC05	Rate constant expression and uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005)
222	CH3CO+OH=CH2CO+H2O	1.20E+13	0	0	3	TH86	Rate constant expression and uncertainty estimate from the review of Tsang & Hampson (1986).
223	CH3CO+OH=CH3+CO+OH	3.00E+13	0	0	3	TH86	Rate constant expression and uncertainty estimate derived from the review of Tsang & Hampson (1986). We have subtracted the above rate from the total rate and assigned the product to HOCO, which is then assumed to rapidly decompose thermally.
224	CH3CO+HO2=CH3+CO2+OH	3.00E+13	0	0	3	TH86	Rate constant expression and uncertainty estimate from the review of Tsang & Hampson (1986).
225	CH3CO+O2=HO2+CH2CO	2.30E+10	0	0	5	Estimated	Estimated equal to the CH2CHO+O2 rate constant
226	CH3CO+CH3=CH4+CH2CO	6.08E+12	0	0	3	HKK90	Taken from the room temperature measurement by HKK90 (with other recombinations and disproportionations).
227	CH3CHO(+M)=CH4+CO(+M)	5.44E+21	-1.74	86364	2	SMK10, HGK10	Rate constant and falloff expressions from Sivaramakrishnan et al.(2010), which match their experimental decomposition measurements and the theoretical calculations of Harding et al.(2010). The theoretical product branching fraction used is 20%. Relative efficiencies are from JetSurf(WDS10) and GRIMech.
	LOW	2.29E+58	-11.3	95922
	SRI0.138	-6.70E+02	0.001	1	0
	CO/1.5/ CO2/2./ H2O/6./ H2/2./ CH4/2./ CH2O/2.5/ C2H6/3./ CH3OH/3./ C2H2/3./ C2H4/3./

228	CH3CHO(+M)=CH3+HCO(+M)	2.18E+22	-1.74	86364	2	SMK10, HGK10	Rate constant and falloff expressions from Sivaramakrishnan et al.(2010), which match their experimental decomposition measurements and the theoretical calculations of Harding et al.(2010). The theoretical product branching fraction used is 80%. Relative efficiencies are from JetSurf(WDS10) and GRIMech.
	LOW	9.15E+58	-11.3	95922
	SRI0.138	-6.70E+02	0.001	1	0
	CO/1.5/ CO2/2./ H2O/6./ H2/2./ CH4/2./ CH2O/2.5/ C2H6/3./ CH3OH/3./ C2H2/3./ C2H4/3./
229	CH3CHO+H=CH2CHO+H2	2.05E+09	1.16	2405	1.8	BCC05	Rate constant expression and average uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005), assumed equal product branch
230	CH3CHO+H=CH3CO+H2	2.05E+09	1.16	2405	1.8	BCC05	Rate constant expression and average uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005), assumed equal product branch
231	CH3CHO+O=OH+CH2CHO	2.92E+12	0	1808	2.5	BCC05	Rate constant expression and uncertainty estimate (1200K) from the combustion chemistry review and evaluation of Baulch et al.(2005), assumed equal product branch
232	CH3CHO+O=OH+CH3CO	2.92E+12	0	1808	2.5	BCC05	Rate constant expression and uncertainty estimate (1200K) from the combustion chemistry review and evaluation of Baulch et al.(2005), assumed equal product branch
233	CH3CHO+OH=CH3CO+H2O	2.69E+08	1.35	-1574	1.6	BCC05	Rate constant expression and uncertainty estimate (1000K) from the combustion chemistry review and evaluation of Baulch et al.(2005)
234	CH3CHO+O2=HO2+CH3CO	1.20E+05	2.5	37560	3.5	BCC05	Rate constant expression and uncertainty estimate (~1200K) from the combustion chemistry review and evaluation of Baulch et al.(2005)
235	CH3CHO+HO2=CH3CO+H2O2	4.10E+04	2.5	10200	3.5	BCC05	Rate constant expression and uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005)
236	CH3CHO+CH3=CH3CO+CH4	2.72E+06	1.77	5920	2	GRIMech	GRIMech did a fit to various experimental results listed in the NIST Chemical Kinetics Database.
237	C2H4(+M)=H2+H2CC(+M)	3.90E+15	0	87060	2	Est., RDH12	Vinylidene is the lowest energy decomposition channel. A loose 50% restricted rotor transition state was used to estimate k(inf). The k(o) value is the expression from the shock tube study of Ren et al.(2012), who observed no significant pressure falloff from second order behavior. Lindemann falloff parameters were used(Fc=1). High values for k(inf), k(o), and Fc were needed to fit the absence of pressure dependence but are difficult to justify theoretically. Relative efficiencies are GRIMech values.
	LOW	3.71E+16	0	67816
	TROE 1.0	500	50000	5000
	HE/.7/ AR/.7/ CO/1.5/ CO2/2./ H2O/6./ CH4/2./ CH2O/2.5/ C2H6/3./ CH3OH/3./
238	C2H4+H(+M)=C2H5(+M)	1.37E+09	1.463	1355	2	MK04	The rate constant expressions and parameterization are from the theoretical study of Miller & Klippenstein (2004), which provides good agreement with experimental data. Relative efficiency values from GRIMech were used.
	LOW	2.90E+39	-6.642	5769
	TROE 1.569	-9147	299	152.4
	HE/.7/ AR/.7/ CO/1.5/ CO2/2./ H2O/6./ CH4/2./ CH2O/2.5/ C2H6/3./ CH3OH/3./
239	C2H4+H=C2H3+H2	2.35E+02	3.62	11270	2.5	BBC05	Rate constant expression and uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005)
240	C2H4+O=CH3+HCO	8.13E+06	1.88	183	2	BBC05	Rate constant expression and uncertainty estimate (average, including product) from the combustion chemistry review and evaluation of Baulch et al.(2005). The product branch is 60%. The potential surface and rate theory calculations and review of NVH05 give a slightly faster rate and slightly lower branching fraction.
241	C2H4+O=H+CH2CHO	3.70E+09	0.907	839	2	BBC05, NVH05	A fit expression using the total rate constant from Baulch et al. (2005), and dividing the remaining 40% product between the 2 remaining significant channels according to the theoretical relative yields given by the calculations of Nguyen et al.(2005) at 300K & 2000K.
242	C2H4+O=CH2+CH2O	1.40E+04	2.62	459	2	BBC05, NVH05	A fit expression using the total rate constant from Baulch et al. (2005), and dividing the remaining 40% product between the 2 remaining significant channels according to the theoretical relative yields given by the calculations of Nguyen et al.(2005) at 300K & 2000K.
243	C2H4+OH=C2H3+H2O	2.23E+04	2.745	2216	2	VHD10	Abstraction rate constant expression determined from the high temperature shock tube measurements of Hong et al. (2010), where this path dominates.
244	C2H4+OH=CH2O+CH3	1.78E+05	1.68	2060	?	SKM06	Rate constant expressions from the theoretical calculations of Senosiain et al. (2006), who considered the lower temperature addition mechanism data.
245	C2H4+OH=H+CH3CHO	2.38E-02	3.91	1723	?	SKM06	Rate constant expressions from the theoretical calculations of Senosiain et al. (2006), who considered the lower temperature addition mechanism data.
246	C2H4+OH=H+CH3CHO	3.19E+05	2.19	5256	?	SKM06	Rate constant expressions from the theoretical calculations of Senosiain et al. (2006), who considered the lower temperature addition mechanism data. This rate applies to C2H3OH product, not included in the present mechanism and assigned instead to CH3CHO.
247	C2H4+CH3=C2H3+CH4	6.02E+07	1.56	16630	3.2	BBC05	Rate constant expression and uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005)
248	C2H4+O2=HO2+C2H3	7.10E+13	0	60010	5	HRW05	Rate constant expression from the theoretical calculations of Hua et al.(2005), which gives values about half the estimate of TH86.
249	C2H5+H(+M)=C2H6(+M)	5.21E+17	-0.99	1580	2	SRG88	Rate constant parameters from the 2 channel RRKM calculation of Stewart et al. Third body efficiencies are the generic GRIMech values.
	LOW	1.99E+41	-7.08	6685
	TROE 0.842	125	2219	6882
	HE/.7/ AR/.7/ CO/1.5/ CO2/2./ H2O/6./ CH4/2./ CH2O/2.5/ C2H6/3./ CH3OH/3./
250	C2H5+H=H2+C2H4	1.81E+12	0	0	3	TH86	Rate constant expression and uncertainty estimate from the review of Tsang & Hampson (1986).
251	C2H5+O=CH3+CH2O	4.42E+13	0	0	4	BBC05	Rate constant expression and uncertainty estimate (1000K and product) from the combustion chemistry review and evaluation of Baulch et al.(2005); we renormalized the 3 product yields (90%) to the full total rate constant
252	C2H5+O=H+CH3CHO	5.89E+13	0	0	4	BBC05	Rate constant expression and uncertainty estimate (1000K and product) from the combustion chemistry review and evaluation of Baulch et al.(2005); we renormalized the 3 product yields (90%) to the full total rate constant
253	C2H5+O=OH+C2H4	2.94E+13	0	0	4	BBC05	Rate constant expression and uncertainty estimate (1000K and product) from the combustion chemistry review and evaluation of Baulch et al.(2005); we renormalized the 3 product yields (90%) to the full total rate constant
254	C2H5+O2=HO2+C2H4	1.41E+07	1.09	-1975	2	MK01	Rate constant expression from the theoretical analysis of Miller & Klippenbstein(2001), which matches well the known experimental data.
255	C2H5+CH3=CH4+C2H4	9.00E+11	0	0	3.5	BBC05	Rate constant expression and average uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005)
256	C2H5+CH2O=C2H6+HCO	5.50E+03	2.81	5860	5	TH86	Rate constant expression and uncertainty estimate from the review of Tsang & Hampson (1986), from their rate for the analogous CH3 reaction.
257	C2H5+CH3OH=C2H6+CH2OH	3.20E+01	3.2	7175	3	Tsa87	Rate constant expression and uncertainty estimate from the review of Tsang (1987) for the analogous reaction of CH3. (He gives a larger activation energy of 9160 cal/mole for this reaction due to enthalpy difference.)
258	C2H6+H=C2H5+H2	1.15E+08	1.9	7530	1.4	Coh91	Transition state theory expression of Cohen (1991), which accurately fits the experimental data over a wide temperature range.
259	C2H6+O=OH+C2H5	1.81E+05	2.8	5803	2	BBC05	Rate constant expression and high temperature uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005)
260	C2H6+OH=C2H5+H2O	9.15E+06	2	994	1.6	BBC05	Rate constant expression and high temperature uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005)
261	C2H6+CH=CH3+C2H4	1.08E+14	0	-262	3	BBC05	Rate constant expression and uncertainty estimate from the combustion chemistry review and evaluation of Baulch et al.(2005)
262	C2H6+CH2(S)=CH3+C2H5	3.30E+13	0	-660	2	Wag90, HLS96	Averaged rate constants and activation energy from 2 harmoneous sources
263	C2H6+CH3=C2H5+CH4	5.60E+10	0	9420	1.5	BBC05	Rate constant expressions and uncertainty estimate (~1200K) from the combustion chemistry review and evaluation of Baulch et al.(2005)
264	C2H6+CH3=C2H5+CH4	8.43E+14	0	22260	1.5	BBC05	Rate constant expressions and uncertainty estimate (~1200K) from the combustion chemistry review and evaluation of Baulch et al.(2005)
265	C2H6+O2=C2H5+HO2	7.29E+05	2.5	49160	3.2	BBC05	Rate constant expression and uncertainty estimate (to 1100K) from the combustion chemistry review and evaluation of Baulch et al.(2005)
266	C2H6+HO2=C2H5+H2O2	1.10E+05	2.5	16850	2	BBC05	Rate constant expression and uncertainty estimate (1000K) from the combustion chemistry review and evaluation of Baulch et al.(2005)
	!
	! SRI chemiluminescence mechanism, as it was added to GRIMech 3.0
	! Results are derived from low pressure flame emission data, and depend on the specific GRIMech 3 optimized precursor kinetics and rate constants
	!
267	CH + O2 = CO + OH*	1.80E+11	0	0		SJP02	Chemiluminescence rate constants taken from fit to SRI flame data, Smith et al (2005, 2002).
268	C2H + O = CO + CH*	2.50E+12	0	0		SPL05	Chemiluminescence rate constants taken from fit to SRI flame data, Smith et al (2005, 2002).
269	C2H + O2 = CO2 + CH*	3.20E+11	0	1600		SPL05	Chemiluminescence rate constants taken from fit to SRI flame data, Smith et al (2005, 2002).
270	H + O + M => OH* + M	5.45E+12	0	0		SPL05	Chemiluminescence rate constants taken from fit to SRI flame data, Smith et al (2005, 2002).
271	OH + OH + H => OH* + H2O	1.45E+15	0	0		SPL05	Chemiluminescence rate constants taken from fit to SRI flame data, Smith et al (2005, 2002).
272	CH* => CH	1.85E+06	0	0		SPL05	Emission rate constants taken from Smith et al (2005, 2002).
273	CH* + N2 = CH + N2	3.03E+02	3.4	-381		TBH98	Quenching rate constant expressions from the review of Tanaka et al (1998).
274	CH* + O2 = CH + O2	2.40E+06	2.14	-1720		TBH98	Quenching rate constant expressions from the review of Tanaka et al (1998).
275	CH* + H2O = CH + H2O	5.30E+13	0	0		TBH98	Quenching rate constant expressions from the review of Tanaka et al (1998).
276	CH* + H2 = CH + H2	1.47E+14	0	1361		TBH98	Quenching rate constant expressions from the review of Tanaka et al (1998).
277	CH* + CO2 = CH + CO2	2.41E-01	4.3	-1694		TBH98	Quenching rate constant expressions from the review of Tanaka et al (1998).
278	CH* + CO = CH + CO	2.44E+12	0.5	0		TBH98	Quenching rate constant expressions from the review of Tanaka et al (1998).
279	CH* + CH4 = CH + CH4	1.73E+13	0	167		TBH98	Quenching rate constant expressions from the review of Tanaka et al (1998).
280	CH* + AR = CH + AR	1.25E+10	0.5	0		estimated	Estimated equal to the quenching rate for excited OH*
281	CH* + HE = CH + HE	1.95E+09	0.5	0		estimated	Estimated equal to the quenching rate for excited OH*
282	OH* => OH	1.45E+06	0	0		SPL05	Emission rate constants taken from Smith et al (2005, 2002).
283	OH* + N2 = OH + N2	1.08E+11	0.5	-1238		TBH98	Quenching rate constant expressions from the review of Tanaka et al (1998).
284	OH* + O2 = OH + O2	2.10E+12	0.5	-482		TBH98	Quenching rate constant expressions from the review of Tanaka et al (1998).
285	OH* + H2O = OH + H2O	5.92E+12	0.5	-861		TBH98	Quenching rate constant expressions from the review of Tanaka et al (1998).
286	OH* + H2 = OH + H2	2.95E+12	0.5	-444		TBH98	Quenching rate constant expressions from the review of Tanaka et al (1998).
287	OH* + CO2 = OH + CO2	2.75E+12	0.5	-968		TBH98	Quenching rate constant expressions from the review of Tanaka et al (1998).
288	OH* + CO = OH + CO	3.23E+12	0.5	-787		TBH98	Quenching rate constant expressions from the review of Tanaka et al (1998).
289	OH* + CH4 = OH + CH4	3.36E+12	0.5	-635		TBH98	Quenching rate constant expressions from the review of Tanaka et al (1998).
290	OH* + AR = OH + AR	1.25E+10	0.5	0		PD75	Quenching rate constant derived from the measurement of Hogan and Davis (1975), assuming a T^1/2 dependence (constant cross section)
291	OH* + HE = OH + HE	1.95E+09	0.5	0		PD75	Quenching rate constant derived from the measurement of Hogan and Davis (1975), assuming a T^1/2 dependence (constant cross section)

Chemiluminescence References:
SPL05	Smith GP, Park C, Luque J. A note on chemiluminescence in low-pressure hydrogen and methane–nitrous oxide flames. Combust Flame. 2005;140:385-9.
SJP02	Smith GP, Luque J, Park C, Jeffries JB, Crosley DR. Low pressure flame determinations of rate constants for OH (A) and CH (A) chemiluminescence. Combust Flame. 2002;131:59-69.
TBH98	Tamura M, Berg PA, Harrington JE, Luque J, Jeffries JB, Smith GP, Crosley DR. Collisional quenching of CH (A), OH (A), and NO (A) in low pressure hydrocarbon flames. Combust Flame. 1998;114:502-14.
PD75	Hogan P, Davis DD. Electronic quenching and vibrational relaxation of the OH (A 2Σ+, v'= 1) state. J Chem Phys. 1975;62:4574-6.

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BCC94	Baulch DL, Cobos CJ, Cox RA, Frank P, Hayman G, Just T, Kerr JA, Murrells T, Pilling MJ, Troe J, Walker RW, Warnatz J. Evaluated kinetic data for combustion modeling. Supplement I. J Phys Chem Ref Data. 1994;23:847-1033.
BCJ12	Burke MP, Chaos M, Ju Y, Dryer FL, Klippenstein SJ. Comprehensive H2/O2 kinetic model for high-pressure combustion. Int J Chem Kinet. 2012;44:444-74.
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BKP11	Blitz MA, Kappler C, Pilling MJ, Seakins PW. 3CH2+ O2: kinetics and product channel branching ratios. Z Phys Chem. 2011;225:957-67.
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CNP00	Ceursters B, Nguyen HMT, Peeters J, Nguyen MT. Experimental and theoretical study of the gas phase reaction of ethynyl radical with methane (HC≡C+ CH 4). Chem Phys Lett. 2000;329:412-20.
Coh91	Cohen N. The use of transition‐state theory to extrapolate rate coefficients for reactions of H atoms with alkanes. Int J Chem Kinet. 1991;23:683-700.
CT90	Cobos CJ, Troe J. The dissociation-recombination system CH4+ M⇌ CH3+ H+ M: reevaluated experiments from 300 to 3000 K. Z Phys Chem. 1990;167:129-49.
CW83	Cohen N, Westberg KR. Chemical kinetic data sheets for high‐temperature chemical reactions. J Phys Chem Ref Data. 1983;12:531-90.
DDK91	Dean AJ, Davidson DF, Hanson RK. A shock tube study of reactions of C atoms with H2 and O2 using excimer photolysis of C3O2 and C atom atomic resonance absorption spectroscopy. J Phys Chem. 1991;95:183-91.
DG13	Dames EE, Golden DM. Master equation modeling of the unimolecular decompositions of hydroxymethyl (CH2OH) and methoxy (CH3O) radicals to formaldehyde (CH2O)+ H. J Phys Chem A. 2013;117:7686-96.
DJH01	DeSain JD, Jusinski LE, Ho AD, Taatjes CA. Temperature dependence and deuterium kinetic isotope effects in the HCO (DCO)+ O2 reaction between 296 and 673 K. Chem Phys Lett. 2001;347:79-86.
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