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species
58
(
N2
AR
HE
H
O2
OH
O
H2
H2O
HO2
H2O2
CO
CO2
HCO
CH3
CH4
CH2O
T-CH2
S-CH2
C2H4
CH3O
C2H5
C2H6
CH
C2H2
C2H4OOH
OC2H3OOH
C2H3
CH2CHO
C2H4O
HCCO
CH2CO
C2H
CH2OH
CH3OH
CH3CHO
CH3CO
C2H5OH
CH2CH2OH
CH3CHOH
CH3CH2O
C3H4
C3H3
C3H5
C3H6
C3H8
I-C3H7
N-C3H7
C3H6OOH
OC3H5OOH
C4H10
PC4H9
SC4H9
C4H8
SC4H9O2
C4H8OOH1-3
NC4KET13
CHCHO
)
;
reactions
{
un-named-reaction-0
{
type reversibleArrheniusReaction;
reaction "H + O2 = O + OH";
A 3.52e+13;
beta -0.7;
Ta 8589.85;
}
un-named-reaction-1
{
type reversibleArrheniusReaction;
reaction "H2 + O = H + OH";
A 50.6;
beta 2.67;
Ta 3165.57;
}
un-named-reaction-2
{
type reversibleArrheniusReaction;
reaction "H2 + OH = H + H2O";
A 1.17e+06;
beta 1.3;
Ta 1829.34;
}
un-named-reaction-3
{
type reversibleArrheniusReaction;
reaction "H2O + O = 2OH";
A 700;
beta 2.33;
Ta 7320.98;
}
un-named-reaction-4
{
type reversiblethirdBodyArrheniusReaction;
reaction "2H = H2";
A 1.3e+12;
beta -1;
Ta 0;
coeffs
58
(
(N2 1)
(AR 0.5)
(HE 0.5)
(H 1)
(O2 1)
(OH 1)
(O 1)
(H2 2.5)
(H2O 12)
(HO2 1)
(H2O2 1)
(CO 1.9)
(CO2 3.8)
(HCO 1)
(CH3 1)
(CH4 1)
(CH2O 1)
(T-CH2 1)
(S-CH2 1)
(C2H4 1)
(CH3O 1)
(C2H5 1)
(C2H6 1)
(CH 1)
(C2H2 1)
(C2H4OOH 1)
(OC2H3OOH 1)
(C2H3 1)
(CH2CHO 1)
(C2H4O 1)
(HCCO 1)
(CH2CO 1)
(C2H 1)
(CH2OH 1)
(CH3OH 1)
(CH3CHO 1)
(CH3CO 1)
(C2H5OH 1)
(CH2CH2OH 1)
(CH3CHOH 1)
(CH3CH2O 1)
(C3H4 1)
(C3H3 1)
(C3H5 1)
(C3H6 1)
(C3H8 1)
(I-C3H7 1)
(N-C3H7 1)
(C3H6OOH 1)
(OC3H5OOH 1)
(C4H10 1)
(PC4H9 1)
(SC4H9 1)
(C4H8 1)
(SC4H9O2 1)
(C4H8OOH1-3 1)
(NC4KET13 1)
(CHCHO 1)
)
;
}
un-named-reaction-5
{
type reversiblethirdBodyArrheniusReaction;
reaction "H + OH = H2O";
A 4e+16;
beta -2;
Ta 0;
coeffs
58
(
(N2 1)
(AR 0.38)
(HE 0.38)
(H 1)
(O2 1)
(OH 1)
(O 1)
(H2 2.5)
(H2O 12)
(HO2 1)
(H2O2 1)
(CO 1.9)
(CO2 3.8)
(HCO 1)
(CH3 1)
(CH4 1)
(CH2O 1)
(T-CH2 1)
(S-CH2 1)
(C2H4 1)
(CH3O 1)
(C2H5 1)
(C2H6 1)
(CH 1)
(C2H2 1)
(C2H4OOH 1)
(OC2H3OOH 1)
(C2H3 1)
(CH2CHO 1)
(C2H4O 1)
(HCCO 1)
(CH2CO 1)
(C2H 1)
(CH2OH 1)
(CH3OH 1)
(CH3CHO 1)
(CH3CO 1)
(C2H5OH 1)
(CH2CH2OH 1)
(CH3CHOH 1)
(CH3CH2O 1)
(C3H4 1)
(C3H3 1)
(C3H5 1)
(C3H6 1)
(C3H8 1)
(I-C3H7 1)
(N-C3H7 1)
(C3H6OOH 1)
(OC3H5OOH 1)
(C4H10 1)
(PC4H9 1)
(SC4H9 1)
(C4H8 1)
(SC4H9O2 1)
(C4H8OOH1-3 1)
(NC4KET13 1)
(CHCHO 1)
)
;
}
un-named-reaction-6
{
type reversiblethirdBodyArrheniusReaction;
reaction "2O = O2";
A 6.17e+09;
beta -0.5;
Ta 0;
coeffs
58
(
(N2 1)
(AR 0.2)
(HE 0.2)
(H 1)
(O2 1)
(OH 1)
(O 1)
(H2 2.5)
(H2O 12)
(HO2 1)
(H2O2 1)
(CO 1.9)
(CO2 3.8)
(HCO 1)
(CH3 1)
(CH4 1)
(CH2O 1)
(T-CH2 1)
(S-CH2 1)
(C2H4 1)
(CH3O 1)
(C2H5 1)
(C2H6 1)
(CH 1)
(C2H2 1)
(C2H4OOH 1)
(OC2H3OOH 1)
(C2H3 1)
(CH2CHO 1)
(C2H4O 1)
(HCCO 1)
(CH2CO 1)
(C2H 1)
(CH2OH 1)
(CH3OH 1)
(CH3CHO 1)
(CH3CO 1)
(C2H5OH 1)
(CH2CH2OH 1)
(CH3CHOH 1)
(CH3CH2O 1)
(C3H4 1)
(C3H3 1)
(C3H5 1)
(C3H6 1)
(C3H8 1)
(I-C3H7 1)
(N-C3H7 1)
(C3H6OOH 1)
(OC3H5OOH 1)
(C4H10 1)
(PC4H9 1)
(SC4H9 1)
(C4H8 1)
(SC4H9O2 1)
(C4H8OOH1-3 1)
(NC4KET13 1)
(CHCHO 1)
)
;
}
un-named-reaction-7
{
type reversiblethirdBodyArrheniusReaction;
reaction "H + O = OH";
A 4.71e+12;
beta -1;
Ta 0;
coeffs
58
(
(N2 1)
(AR 0.75)
(HE 0.75)
(H 1)
(O2 1)
(OH 1)
(O 1)
(H2 2.5)
(H2O 12)
(HO2 1)
(H2O2 1)
(CO 1.9)
(CO2 3.8)
(HCO 1)
(CH3 1)
(CH4 1)
(CH2O 1)
(T-CH2 1)
(S-CH2 1)
(C2H4 1)
(CH3O 1)
(C2H5 1)
(C2H6 1)
(CH 1)
(C2H2 1)
(C2H4OOH 1)
(OC2H3OOH 1)
(C2H3 1)
(CH2CHO 1)
(C2H4O 1)
(HCCO 1)
(CH2CO 1)
(C2H 1)
(CH2OH 1)
(CH3OH 1)
(CH3CHO 1)
(CH3CO 1)
(C2H5OH 1)
(CH2CH2OH 1)
(CH3CHOH 1)
(CH3CH2O 1)
(C3H4 1)
(C3H3 1)
(C3H5 1)
(C3H6 1)
(C3H8 1)
(I-C3H7 1)
(N-C3H7 1)
(C3H6OOH 1)
(OC3H5OOH 1)
(C4H10 1)
(PC4H9 1)
(SC4H9 1)
(C4H8 1)
(SC4H9O2 1)
(C4H8OOH1-3 1)
(NC4KET13 1)
(CHCHO 1)
)
;
}
un-named-reaction-8
{
type reversibleArrheniusTroeFallOffReaction;
reaction "H + O2 = HO2";
k0
{
A 5.75e+13;
beta -1.4;
Ta 0;
}
kInf
{
A 4.65e+09;
beta 0.44;
Ta 0;
}
F
{
alpha 0.5;
Tsss 1e-30;
Ts 1e+30;
Tss 0;
}
thirdBodyEfficiencies
{
coeffs
58
(
(N2 1)
(AR 0.7)
(HE 0.7)
(H 1)
(O2 1)
(OH 1)
(O 1)
(H2 2.5)
(H2O 16)
(HO2 1)
(H2O2 1)
(CO 1.2)
(CO2 2.4)
(HCO 1)
(CH3 1)
(CH4 1)
(CH2O 1)
(T-CH2 1)
(S-CH2 1)
(C2H4 1)
(CH3O 1)
(C2H5 1)
(C2H6 1.5)
(CH 1)
(C2H2 1)
(C2H4OOH 1)
(OC2H3OOH 1)
(C2H3 1)
(CH2CHO 1)
(C2H4O 1)
(HCCO 1)
(CH2CO 1)
(C2H 1)
(CH2OH 1)
(CH3OH 1)
(CH3CHO 1)
(CH3CO 1)
(C2H5OH 1)
(CH2CH2OH 1)
(CH3CHOH 1)
(CH3CH2O 1)
(C3H4 1)
(C3H3 1)
(C3H5 1)
(C3H6 1)
(C3H8 1)
(I-C3H7 1)
(N-C3H7 1)
(C3H6OOH 1)
(OC3H5OOH 1)
(C4H10 1)
(PC4H9 1)
(SC4H9 1)
(C4H8 1)
(SC4H9O2 1)
(C4H8OOH1-3 1)
(NC4KET13 1)
(CHCHO 1)
)
;
}
}
un-named-reaction-9
{
type reversibleArrheniusReaction;
reaction "H + HO2 = 2OH";
A 7.08e+10;
beta 0;
Ta 148.415;
}
un-named-reaction-10
{
type reversibleArrheniusReaction;
reaction "H + HO2 = H2 + O2";
A 1.66e+10;
beta 0;
Ta 414.099;
}
un-named-reaction-11
{
type reversibleArrheniusReaction;
reaction "H + HO2 = H2O + O";
A 3.1e+10;
beta 0;
Ta 865.96;
}
un-named-reaction-12
{
type reversibleArrheniusReaction;
reaction "HO2 + O = O2 + OH";
A 2e+10;
beta 0;
Ta 0;
}
un-named-reaction-13
{
type reversibleArrheniusReaction;
reaction "HO2 + OH = H2O + O2";
A 7e+09;
beta 0;
Ta -550.849;
}
un-named-reaction-14
{
type reversibleArrheniusReaction;
reaction "HO2 + OH = H2O + O2";
A 4.5e+11;
beta 0;
Ta 5500.05;
}
un-named-reaction-15
{
type reversibleArrheniusTroeFallOffReaction;
reaction "2OH = H2O2";
k0
{
A 2.76e+19;
beta -3.2;
Ta 0;
}
kInf
{
A 9.55e+10;
beta -0.27;
Ta 0;
}
F
{
alpha 0.57;
Tsss 1e+30;
Ts 1e-30;
Tss 0;
}
thirdBodyEfficiencies
{
coeffs
58
(
(N2 1)
(AR 0.7)
(HE 0.4)
(H 1)
(O2 1)
(OH 1)
(O 1)
(H2 2.5)
(H2O 6)
(HO2 1)
(H2O2 6)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH3 1)
(CH4 1)
(CH2O 1)
(T-CH2 1)
(S-CH2 1)
(C2H4 1)
(CH3O 1)
(C2H5 1)
(C2H6 1)
(CH 1)
(C2H2 1)
(C2H4OOH 1)
(OC2H3OOH 1)
(C2H3 1)
(CH2CHO 1)
(C2H4O 1)
(HCCO 1)
(CH2CO 1)
(C2H 1)
(CH2OH 1)
(CH3OH 1)
(CH3CHO 1)
(CH3CO 1)
(C2H5OH 1)
(CH2CH2OH 1)
(CH3CHOH 1)
(CH3CH2O 1)
(C3H4 1)
(C3H3 1)
(C3H5 1)
(C3H6 1)
(C3H8 1)
(I-C3H7 1)
(N-C3H7 1)
(C3H6OOH 1)
(OC3H5OOH 1)
(C4H10 1)
(PC4H9 1)
(SC4H9 1)
(C4H8 1)
(SC4H9O2 1)
(C4H8OOH1-3 1)
(NC4KET13 1)
(CHCHO 1)
)
;
}
}
un-named-reaction-16
{
type reversibleArrheniusReaction;
reaction "2HO2 = H2O2 + O2";
A 1.03e+11;
beta 0;
Ta 5556.59;
}
un-named-reaction-17
{
type reversibleArrheniusReaction;
reaction "2HO2 = H2O2 + O2";
A 1.94e+08;
beta 0;
Ta -709.006;
}
un-named-reaction-18
{
type reversibleArrheniusReaction;
reaction "H + H2O2 = H2 + HO2";
A 2.3e+10;
beta 0;
Ta 4000.62;
}
un-named-reaction-19
{
type reversibleArrheniusReaction;
reaction "H + H2O2 = H2O + OH";
A 1e+10;
beta 0;
Ta 1804.09;
}
un-named-reaction-20
{
type reversibleArrheniusReaction;
reaction "H2O2 + OH = H2O + HO2";
A 1.74e+09;
beta 0;
Ta 721.632;
}
un-named-reaction-21
{
type reversibleArrheniusReaction;
reaction "H2O2 + OH = H2O + HO2";
A 7.59e+10;
beta 0;
Ta 3659.89;
}
un-named-reaction-22
{
type reversibleArrheniusReaction;
reaction "H2O2 + O = HO2 + OH";
A 9630;
beta 2;
Ta 2008.55;
}
un-named-reaction-23
{
type reversibleArrheniusTroeFallOffReaction;
reaction "CO + O = CO2";
k0
{
A 1.55e+18;
beta -2.79;
Ta 2108.98;
}
kInf
{
A 1.8e+08;
beta 0;
Ta 1199.72;
}
F
{
alpha 1;
Tsss 1;
Ts 1e+07;
Tss 1e+07;
}
thirdBodyEfficiencies
{
coeffs
58
(
(N2 1)
(AR 0.7)
(HE 0.7)
(H 1)
(O2 1)
(OH 1)
(O 1)
(H2 2.5)
(H2O 12)
(HO2 1)
(H2O2 1)
(CO 2)
(CO2 4)
(HCO 1)
(CH3 1)
(CH4 1)
(CH2O 1)
(T-CH2 1)
(S-CH2 1)
(C2H4 1)
(CH3O 1)
(C2H5 1)
(C2H6 1)
(CH 1)
(C2H2 1)
(C2H4OOH 1)
(OC2H3OOH 1)
(C2H3 1)
(CH2CHO 1)
(C2H4O 1)
(HCCO 1)
(CH2CO 1)
(C2H 1)
(CH2OH 1)
(CH3OH 1)
(CH3CHO 1)
(CH3CO 1)
(C2H5OH 1)
(CH2CH2OH 1)
(CH3CHOH 1)
(CH3CH2O 1)
(C3H4 1)
(C3H3 1)
(C3H5 1)
(C3H6 1)
(C3H8 1)
(I-C3H7 1)
(N-C3H7 1)
(C3H6OOH 1)
(OC3H5OOH 1)
(C4H10 1)
(PC4H9 1)
(SC4H9 1)
(C4H8 1)
(SC4H9O2 1)
(C4H8OOH1-3 1)
(NC4KET13 1)
(CHCHO 1)
)
;
}
}
un-named-reaction-24
{
type reversibleArrheniusReaction;
reaction "CO + OH = CO2 + H";
A 4400;
beta 1.5;
Ta -372.845;
}
un-named-reaction-25
{
type reversibleArrheniusReaction;
reaction "CO + HO2 = CO2 + OH";
A 2e+10;
beta 0;
Ta 11546.1;
}
un-named-reaction-26
{
type reversibleArrheniusReaction;
reaction "CO + O2 = CO2 + O";
A 1e+09;
beta 0;
Ta 24003.6;
}
un-named-reaction-27
{
type reversiblethirdBodyArrheniusReaction;
reaction "HCO = CO + H";
A 1.86e+14;
beta -1;
Ta 8554.97;
coeffs
58
(
(N2 1)
(AR 1)
(HE 1)
(H 1)
(O2 1)
(OH 1)
(O 1)
(H2 1.9)
(H2O 12)
(HO2 1)
(H2O2 1)
(CO 2.5)
(CO2 2.5)
(HCO 1)
(CH3 1)
(CH4 1)
(CH2O 1)
(T-CH2 1)
(S-CH2 1)
(C2H4 1)
(CH3O 1)
(C2H5 1)
(C2H6 1)
(CH 1)
(C2H2 1)
(C2H4OOH 1)
(OC2H3OOH 1)
(C2H3 1)
(CH2CHO 1)
(C2H4O 1)
(HCCO 1)
(CH2CO 1)
(C2H 1)
(CH2OH 1)
(CH3OH 1)
(CH3CHO 1)
(CH3CO 1)
(C2H5OH 1)
(CH2CH2OH 1)
(CH3CHOH 1)
(CH3CH2O 1)
(C3H4 1)
(C3H3 1)
(C3H5 1)
(C3H6 1)
(C3H8 1)
(I-C3H7 1)
(N-C3H7 1)
(C3H6OOH 1)
(OC3H5OOH 1)
(C4H10 1)
(PC4H9 1)
(SC4H9 1)
(C4H8 1)
(SC4H9O2 1)
(C4H8OOH1-3 1)
(NC4KET13 1)
(CHCHO 1)
)
;
}
un-named-reaction-28
{
type reversibleArrheniusReaction;
reaction "H + HCO = CO + H2";
A 5e+10;
beta 0;
Ta 0;
}
un-named-reaction-29
{
type reversibleArrheniusReaction;
reaction "HCO + O = CO + OH";
A 3e+10;
beta 0;
Ta 0;
}
un-named-reaction-30
{
type reversibleArrheniusReaction;
reaction "HCO + O = CO2 + H";
A 3e+10;
beta 0;
Ta 0;
}
un-named-reaction-31
{
type reversibleArrheniusReaction;
reaction "HCO + OH = CO + H2O";
A 3e+10;
beta 0;
Ta 0;
}
un-named-reaction-32
{
type reversibleArrheniusReaction;
reaction "HCO + O2 = CO + HO2";
A 7.58e+09;
beta 0;
Ta 206.265;
}
un-named-reaction-33
{
type reversibleArrheniusReaction;
reaction "CH3 + HCO = CH4 + CO";
A 5e+10;
beta 0;
Ta 0;
}
un-named-reaction-34
{
type reversibleArrheniusTroeFallOffReaction;
reaction "H + HCO = CH2O";
k0
{
A 1.35e+18;
beta -2.57;
Ta 213.843;
}
kInf
{
A 1.09e+09;
beta 0.48;
Ta -130.857;
}
F
{
alpha 0.7824;
Tsss 271;
Ts 2755;
Tss 6570;
}
thirdBodyEfficiencies
{
coeffs
58
(
(N2 1)
(AR 0.7)
(HE 1)
(H 1)
(O2 1)
(OH 1)
(O 1)
(H2 2)
(H2O 6)
(HO2 1)
(H2O2 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH3 1)
(CH4 2)
(CH2O 1)
(T-CH2 1)
(S-CH2 1)
(C2H4 1)
(CH3O 1)
(C2H5 1)
(C2H6 3)
(CH 1)
(C2H2 1)
(C2H4OOH 1)
(OC2H3OOH 1)
(C2H3 1)
(CH2CHO 1)
(C2H4O 1)
(HCCO 1)
(CH2CO 1)
(C2H 1)
(CH2OH 1)
(CH3OH 1)
(CH3CHO 1)
(CH3CO 1)
(C2H5OH 1)
(CH2CH2OH 1)
(CH3CHOH 1)
(CH3CH2O 1)
(C3H4 1)
(C3H3 1)
(C3H5 1)
(C3H6 1)
(C3H8 1)
(I-C3H7 1)
(N-C3H7 1)
(C3H6OOH 1)
(OC3H5OOH 1)
(C4H10 1)
(PC4H9 1)
(SC4H9 1)
(C4H8 1)
(SC4H9O2 1)
(C4H8OOH1-3 1)
(NC4KET13 1)
(CHCHO 1)
)
;
}
}
un-named-reaction-35
{
type reversibleArrheniusReaction;
reaction "CH2O + H = H2 + HCO";
A 57400;
beta 1.9;
Ta 1383.13;
}
un-named-reaction-36
{
type reversibleArrheniusReaction;
reaction "CH2O + O = HCO + OH";
A 3.5e+10;
beta 0;
Ta 1768;
}
un-named-reaction-37
{
type reversibleArrheniusReaction;
reaction "CH2O + OH = H2O + HCO";
A 3.9e+07;
beta 0.89;
Ta 204.463;
}
un-named-reaction-38
{
type reversibleArrheniusReaction;
reaction "CH2O + O2 = HCO + HO2";
A 6e+10;
beta 0;
Ta 20468;
}
un-named-reaction-39
{
type reversibleArrheniusReaction;
reaction "CH2O + HO2 = H2O2 + HCO";
A 41.1;
beta 2.5;
Ta 5138.04;
}
un-named-reaction-40
{
type reversibleArrheniusReaction;
reaction "CH4 + H = CH3 + H2";
A 13;
beta 3;
Ta 4044.76;
}
un-named-reaction-41
{
type reversibleArrheniusReaction;
reaction "CH4 + OH = CH3 + H2O";
A 16000;
beta 1.83;
Ta 1399.97;
}
un-named-reaction-42
{
type reversibleArrheniusReaction;
reaction "CH4 + O = CH3 + OH";
A 1.9e+06;
beta 1.44;
Ta 4365.89;
}
un-named-reaction-43
{
type reversibleArrheniusReaction;
reaction "CH4 + O2 = CH3 + HO2";
A 3.98e+10;
beta 0;
Ta 28628.4;
}
un-named-reaction-44
{
type reversibleArrheniusReaction;
reaction "CH4 + HO2 = CH3 + H2O2";
A 9.03e+09;
beta 0;
Ta 12400.1;
}
un-named-reaction-45
{
type reversibleArrheniusReaction;
reaction "CH3 + H = H2 + T-CH2";
A 1.8e+11;
beta 0;
Ta 7601.21;
}
un-named-reaction-46
{
type reversibleArrheniusReaction;
reaction "CH3 + H = H2 + S-CH2";
A 1.55e+11;
beta 0;
Ta 6783.36;
}
un-named-reaction-47
{
type reversibleArrheniusReaction;
reaction "CH3 + OH = H2O + S-CH2";
A 4e+10;
beta 0;
Ta 1259.25;
}
un-named-reaction-48
{
type reversibleArrheniusReaction;
reaction "CH3 + O = CH2O + H";
A 8.43e+10;
beta 0;
Ta 0;
}
un-named-reaction-49
{
type reversibleArrheniusReaction;
reaction "CH3 + T-CH2 = C2H4 + H";
A 4.22e+10;
beta 0;
Ta 0;
}
un-named-reaction-50
{
type reversibleArrheniusReaction;
reaction "CH3 + HO2 = CH3O + OH";
A 5e+09;
beta 0;
Ta 0;
}
un-named-reaction-51
{
type reversibleArrheniusReaction;
reaction "CH3 + O2 = CH2O + OH";
A 3.3e+08;
beta 0;
Ta 4499.39;
}
un-named-reaction-52
{
type reversibleArrheniusReaction;
reaction "CH3 + O2 = CH3O + O";
A 1.1e+10;
beta 0;
Ta 13999.6;
}
un-named-reaction-53
{
type reversibleArrheniusReaction;
reaction "2CH3 = C2H4 + H2";
A 1e+11;
beta 0;
Ta 16104.5;
}
un-named-reaction-54
{
type reversibleArrheniusReaction;
reaction "2CH3 = C2H5 + H";
A 3.16e+10;
beta 0;
Ta 7396.75;
}
un-named-reaction-55
{
type reversibleArrheniusTroeFallOffReaction;
reaction "CH3 + H = CH4";
k0
{
A 1.59e+27;
beta -4.761;
Ta 1223.98;
}
kInf
{
A 1.351e+11;
beta 0.091;
Ta 44.1429;
}
F
{
alpha 0.834;
Tsss 36.8;
Ts 778;
Tss 2464.3;
}
thirdBodyEfficiencies
{
coeffs
58
(
(N2 1)
(AR 0.7)
(HE 1)
(H 1)
(O2 1)
(OH 1)
(O 1)
(H2 2)
(H2O 16)
(HO2 1)
(H2O2 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH3 1)
(CH4 4)
(CH2O 1)
(T-CH2 1)
(S-CH2 1)
(C2H4 1)
(CH3O 1)
(C2H5 1)
(C2H6 1)
(CH 1)
(C2H2 1)
(C2H4OOH 1)
(OC2H3OOH 1)
(C2H3 1)
(CH2CHO 1)
(C2H4O 1)
(HCCO 1)
(CH2CO 1)
(C2H 1)
(CH2OH 1)
(CH3OH 1)
(CH3CHO 1)
(CH3CO 1)
(C2H5OH 1)
(CH2CH2OH 1)
(CH3CHOH 1)
(CH3CH2O 1)
(C3H4 1)
(C3H3 1)
(C3H5 1)
(C3H6 1)
(C3H8 1)
(I-C3H7 1)
(N-C3H7 1)
(C3H6OOH 1)
(OC3H5OOH 1)
(C4H10 1)
(PC4H9 1)
(SC4H9 1)
(C4H8 1)
(SC4H9O2 1)
(C4H8OOH1-3 1)
(NC4KET13 1)
(CHCHO 1)
)
;
}
}
un-named-reaction-56
{
type reversibleArrheniusTroeFallOffReaction;
reaction "2CH3 = C2H6";
k0
{
A 1.27e+35;
beta -7;
Ta 1390.35;
}
kInf
{
A 1.81e+10;
beta 0;
Ta 0;
}
F
{
alpha 0.62;
Tsss 73;
Ts 1200;
Tss 0;
}
thirdBodyEfficiencies
{
coeffs
58
(
(N2 1)
(AR 0.7)
(HE 1)
(H 1)
(O2 1)
(OH 1)
(O 1)
(H2 2)
(H2O 6)
(HO2 1)
(H2O2 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH3 1)
(CH4 2)
(CH2O 1)
(T-CH2 1)
(S-CH2 1)
(C2H4 1)
(CH3O 1)
(C2H5 1)
(C2H6 3)
(CH 1)
(C2H2 1)
(C2H4OOH 1)
(OC2H3OOH 1)
(C2H3 1)
(CH2CHO 1)
(C2H4O 1)
(HCCO 1)
(CH2CO 1)
(C2H 1)
(CH2OH 1)
(CH3OH 1)
(CH3CHO 1)
(CH3CO 1)
(C2H5OH 1)
(CH2CH2OH 1)
(CH3CHOH 1)
(CH3CH2O 1)
(C3H4 1)
(C3H3 1)
(C3H5 1)
(C3H6 1)
(C3H8 1)
(I-C3H7 1)
(N-C3H7 1)
(C3H6OOH 1)
(OC3H5OOH 1)
(C4H10 1)
(PC4H9 1)
(SC4H9 1)
(C4H8 1)
(SC4H9O2 1)
(C4H8OOH1-3 1)
(NC4KET13 1)
(CHCHO 1)
)
;
}
}
un-named-reaction-57
{
type reversibleArrheniusReaction;
reaction "OH + S-CH2 = CH2O + H";
A 3e+10;
beta 0;
Ta 0;
}
un-named-reaction-58
{
type reversibleArrheniusReaction;
reaction "O2 + S-CH2 = CO + H + OH";
A 3.13e+10;
beta 0;
Ta 0;
}
un-named-reaction-59
{
type reversibleArrheniusReaction;
reaction "CO2 + S-CH2 = CH2O + CO";
A 3e+09;
beta 0;
Ta 0;
}
un-named-reaction-60
{
type reversiblethirdBodyArrheniusReaction;
reaction "S-CH2 = T-CH2";
A 6e+09;
beta 0;
Ta 0;
coeffs
58
(
(N2 1)
(AR 1)
(HE 1)
(H 1)
(O2 1)
(OH 1)
(O 1)
(H2 2.4)
(H2O 15.4)
(HO2 1)
(H2O2 1)
(CO 1.8)
(CO2 3.6)
(HCO 1)
(CH3 1)
(CH4 1)
(CH2O 1)
(T-CH2 1)
(S-CH2 1)
(C2H4 1)
(CH3O 1)
(C2H5 1)
(C2H6 1)
(CH 1)
(C2H2 1)
(C2H4OOH 1)
(OC2H3OOH 1)
(C2H3 1)
(CH2CHO 1)
(C2H4O 1)
(HCCO 1)
(CH2CO 1)
(C2H 1)
(CH2OH 1)
(CH3OH 1)
(CH3CHO 1)
(CH3CO 1)
(C2H5OH 1)
(CH2CH2OH 1)
(CH3CHOH 1)
(CH3CH2O 1)
(C3H4 1)
(C3H3 1)
(C3H5 1)
(C3H6 1)
(C3H8 1)
(I-C3H7 1)
(N-C3H7 1)
(C3H6OOH 1)
(OC3H5OOH 1)
(C4H10 1)
(PC4H9 1)
(SC4H9 1)
(C4H8 1)
(SC4H9O2 1)
(C4H8OOH1-3 1)
(NC4KET13 1)
(CHCHO 1)
)
;
}
un-named-reaction-61
{
type reversibleArrheniusReaction;
reaction "H + T-CH2 = CH + H2";
A 6.02e+09;
beta 0;
Ta -899.636;
}
un-named-reaction-62
{
type reversibleArrheniusReaction;
reaction "OH + T-CH2 = CH2O + H";
A 2.5e+10;
beta 0;
Ta 0;
}
un-named-reaction-63
{
type reversibleArrheniusReaction;
reaction "OH + T-CH2 = CH + H2O";
A 11300;
beta 2;
Ta 1509.42;
}
un-named-reaction-64
{
type reversibleArrheniusReaction;
reaction "O + T-CH2 = CO + 2H";
A 8e+10;
beta 0;
Ta 0;
}
un-named-reaction-65
{
type reversibleArrheniusReaction;
reaction "O + T-CH2 = CO + H2";
A 4e+10;
beta 0;
Ta 0;
}
un-named-reaction-66
{
type reversibleArrheniusReaction;
reaction "O2 + T-CH2 = CO2 + H2";
A 2.63e+09;
beta 0;
Ta 750.502;
}
un-named-reaction-67
{
type reversibleArrheniusReaction;
reaction "O2 + T-CH2 = CO + H + OH";
A 6.58e+09;
beta 0;
Ta 750.502;
}
un-named-reaction-68
{
type reversibleArrheniusReaction;
reaction "2T-CH2 = C2H2 + 2H";
A 1e+11;
beta 0;
Ta 0;
}
un-named-reaction-69
{
type reversibleArrheniusReaction;
reaction "C2H2 + HO2 = CHCHO + OH";
A 160000;
beta 1.36;
Ta 7759.65;
}
un-named-reaction-70
{
type reversibleArrheniusReaction;
reaction "CHCHO + O2 = CH2O + CO + O";
A 1300;
beta 2.4202;
Ta 807.164;
}
un-named-reaction-71
{
type reversibleArrheniusReaction;
reaction "CH + O = CO + H";
A 4e+10;
beta 0;
Ta 0;
}
un-named-reaction-72
{
type reversibleArrheniusReaction;
reaction "CH + O2 = HCO + O";
A 1.77e+08;
beta 0.76;
Ta -240.544;
}
un-named-reaction-73
{
type reversibleArrheniusReaction;
reaction "CH + H2O = CH2O + H";
A 1.17e+12;
beta -0.75;
Ta 0;
}
un-named-reaction-74
{
type reversibleArrheniusReaction;
reaction "CH + CO2 = CO + HCO";
A 0.048;
beta 3.22;
Ta -1623.68;
}
un-named-reaction-75
{
type reversibleArrheniusReaction;
reaction "CH3O + H = CH2O + H2";
A 2e+10;
beta 0;
Ta 0;
}
un-named-reaction-76
{
type reversibleArrheniusReaction;
reaction "CH3O + H = H2O + S-CH2";
A 1.6e+10;
beta 0;
Ta 0;
}
un-named-reaction-77
{
type reversibleArrheniusReaction;
reaction "CH3O + OH = CH2O + H2O";
A 5e+09;
beta 0;
Ta 0;
}
un-named-reaction-78
{
type reversibleArrheniusReaction;
reaction "CH3O + O = CH2O + OH";
A 1e+10;
beta 0;
Ta 0;
}
un-named-reaction-79
{
type reversibleArrheniusReaction;
reaction "CH3O + O2 = CH2O + HO2";
A 4.28e-16;
beta 7.6;
Ta -1780.03;
}
un-named-reaction-80
{
type reversiblethirdBodyArrheniusReaction;
reaction "CH3O = CH2O + H";
A 7.78e+10;
beta 0;
Ta 6800.2;
coeffs
58
(
(N2 1)
(AR 0.7)
(HE 1)
(H 1)
(O2 1)
(OH 1)
(O 1)
(H2 2)
(H2O 6)
(HO2 1)
(H2O2 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH3 1)
(CH4 2)
(CH2O 1)
(T-CH2 1)
(S-CH2 1)
(C2H4 1)
(CH3O 1)
(C2H5 1)
(C2H6 1)
(CH 1)
(C2H2 1)
(C2H4OOH 1)
(OC2H3OOH 1)
(C2H3 1)
(CH2CHO 1)
(C2H4O 1)
(HCCO 1)
(CH2CO 1)
(C2H 1)
(CH2OH 1)
(CH3OH 1)
(CH3CHO 1)
(CH3CO 1)
(C2H5OH 1)
(CH2CH2OH 1)
(CH3CHOH 1)
(CH3CH2O 1)
(C3H4 1)
(C3H3 1)
(C3H5 1)
(C3H6 1)
(C3H8 1)
(I-C3H7 1)
(N-C3H7 1)
(C3H6OOH 1)
(OC3H5OOH 1)
(C4H10 1)
(PC4H9 1)
(SC4H9 1)
(C4H8 1)
(SC4H9O2 1)
(C4H8OOH1-3 1)
(NC4KET13 1)
(CHCHO 1)
)
;
}
un-named-reaction-81
{
type reversibleArrheniusReaction;
reaction "C2H6 + H = C2H5 + H2";
A 0.54;
beta 3.5;
Ta 2621.94;
}
un-named-reaction-82
{
type reversibleArrheniusReaction;
reaction "C2H6 + O = C2H5 + OH";
A 0.0014;
beta 4.3;
Ta 1395.16;
}
un-named-reaction-83
{
type reversibleArrheniusReaction;
reaction "C2H6 + OH = C2H5 + H2O";
A 22000;
beta 1.9;
Ta 565.282;
}
un-named-reaction-84
{
type reversibleArrheniusReaction;
reaction "C2H6 + CH3 = C2H5 + CH4";
A 0.00055;
beta 4;
Ta 4173.45;
}
un-named-reaction-85
{
type reversibleArrheniusTroeFallOffReaction;
reaction "C2H6 = C2H5 + H";
k0
{
A 4.9e+39;
beta -6.43;
Ta 53930;
}
kInf
{
A 8.85e+20;
beta -1.23;
Ta 51440.5;
}
F
{
alpha 0.84;
Tsss 125;
Ts 2219;
Tss 6882;
}
thirdBodyEfficiencies
{
coeffs
58
(
(N2 1)
(AR 0.7)
(HE 1)
(H 1)
(O2 1)
(OH 1)
(O 1)
(H2 2)
(H2O 6)
(HO2 1)
(H2O2 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH3 1)
(CH4 2)
(CH2O 1)
(T-CH2 1)
(S-CH2 1)
(C2H4 1)
(CH3O 1)
(C2H5 1)
(C2H6 3)
(CH 1)
(C2H2 1)
(C2H4OOH 1)
(OC2H3OOH 1)
(C2H3 1)
(CH2CHO 1)
(C2H4O 1)
(HCCO 1)
(CH2CO 1)
(C2H 1)
(CH2OH 1)
(CH3OH 1)
(CH3CHO 1)
(CH3CO 1)
(C2H5OH 1)
(CH2CH2OH 1)
(CH3CHOH 1)
(CH3CH2O 1)
(C3H4 1)
(C3H3 1)
(C3H5 1)
(C3H6 1)
(C3H8 1)
(I-C3H7 1)
(N-C3H7 1)
(C3H6OOH 1)
(OC3H5OOH 1)
(C4H10 1)
(PC4H9 1)
(SC4H9 1)
(C4H8 1)
(SC4H9O2 1)
(C4H8OOH1-3 1)
(NC4KET13 1)
(CHCHO 1)
)
;
}
}
un-named-reaction-86
{
type reversibleArrheniusReaction;
reaction "C2H6 + HO2 = C2H5 + H2O2";
A 1.32e+10;
beta 0;
Ta 10300.8;
}
un-named-reaction-87
{
type reversibleArrheniusReaction;
reaction "C2H5 + H = C2H4 + H2";
A 3e+10;
beta 0;
Ta 0;
}
un-named-reaction-88
{
type reversibleArrheniusReaction;
reaction "C2H5 + O = C2H4 + OH";
A 3.06e+10;
beta 0;
Ta 0;
}
un-named-reaction-89
{
type reversibleArrheniusReaction;
reaction "C2H5 + O = CH2O + CH3";
A 4.24e+10;
beta 0;
Ta 0;
}
un-named-reaction-90
{
type reversibleArrheniusReaction;
reaction "C2H5 + O2 = C2H4 + HO2";
A 7.5e+11;
beta -1;
Ta 2415.43;
}
un-named-reaction-91
{
type reversibleArrheniusReaction;
reaction "C2H5 + O2 = C2H4OOH";
A 2e+09;
beta 0;
Ta 0;
}
un-named-reaction-92
{
type reversibleArrheniusReaction;
reaction "C2H4OOH = C2H4 + HO2";
A 4e+34;
beta -7.2;
Ta 11574;
}
un-named-reaction-93
{
type reversibleArrheniusReaction;
reaction "C2H4OOH + O2 = OC2H3OOH + OH";
A 750;
beta 1.3;
Ta -2918.65;
}
un-named-reaction-94
{
type reversibleArrheniusReaction;
reaction "OC2H3OOH = CH2O + HCO + OH";
A 1e+15;
beta 0;
Ta 21638.4;
}
un-named-reaction-95
{
type reversibleArrheniusTroeFallOffReaction;
reaction "C2H5 = C2H4 + H";
k0
{
A 3.99e+30;
beta -4.99;
Ta 20128.8;
}
kInf
{
A 1.11e+10;
beta 1.037;
Ta 18502.7;
}
F
{
alpha 0.168;
Tsss 1200;
Ts 1e-30;
Tss 0;
}
thirdBodyEfficiencies
{
coeffs
58
(
(N2 1)
(AR 0.7)
(HE 1)
(H 1)
(O2 1)
(OH 1)
(O 1)
(H2 2)
(H2O 6)
(HO2 1)
(H2O2 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH3 1)
(CH4 2)
(CH2O 1)
(T-CH2 1)
(S-CH2 1)
(C2H4 1)
(CH3O 1)
(C2H5 1)
(C2H6 1)
(CH 1)
(C2H2 1)
(C2H4OOH 1)
(OC2H3OOH 1)
(C2H3 1)
(CH2CHO 1)
(C2H4O 1)
(HCCO 1)
(CH2CO 1)
(C2H 1)
(CH2OH 1)
(CH3OH 1)
(CH3CHO 1)
(CH3CO 1)
(C2H5OH 1)
(CH2CH2OH 1)
(CH3CHOH 1)
(CH3CH2O 1)
(C3H4 1)
(C3H3 1)
(C3H5 1)
(C3H6 1)
(C3H8 1)
(I-C3H7 1)
(N-C3H7 1)
(C3H6OOH 1)
(OC3H5OOH 1)
(C4H10 1)
(PC4H9 1)
(SC4H9 1)
(C4H8 1)
(SC4H9O2 1)
(C4H8OOH1-3 1)
(NC4KET13 1)
(CHCHO 1)
)
;
}
}
un-named-reaction-96
{
type reversibleArrheniusReaction;
reaction "C2H4 + H = C2H3 + H2";
A 44900;
beta 2.12;
Ta 6723.22;
}
un-named-reaction-97
{
type reversibleArrheniusReaction;
reaction "C2H4 + OH = C2H3 + H2O";
A 553;
beta 2.31;
Ta 1491.38;
}
un-named-reaction-98
{
type reversibleArrheniusReaction;
reaction "C2H4 + O = CH3 + HCO";
A 2250;
beta 2.08;
Ta 0;
}
un-named-reaction-99
{
type reversibleArrheniusReaction;
reaction "C2H4 + O = CH2CHO + H";
A 1210;
beta 2.08;
Ta 0;
}
un-named-reaction-100
{
type reversibleArrheniusReaction;
reaction "2C2H4 = C2H3 + C2H5";
A 5.01e+11;
beta 0;
Ta 32558.3;
}
un-named-reaction-101
{
type reversibleArrheniusReaction;
reaction "C2H4 + O2 = C2H3 + HO2";
A 4.22e+10;
beta 0;
Ta 28997.1;
}
un-named-reaction-102
{
type reversibleArrheniusReaction;
reaction "C2H4 + HO2 = C2H4O + OH";
A 2.23e+09;
beta 0;
Ta 8649.99;
}
un-named-reaction-103
{
type reversibleArrheniusReaction;
reaction "C2H4O + HO2 = CH3 + CO + H2O2";
A 4e+09;
beta 0;
Ta 8558.58;
}
un-named-reaction-104
{
type reversiblethirdBodyArrheniusReaction;
reaction "C2H4 = C2H3 + H";
A 2.6e+14;
beta 0;
Ta 48595;
coeffs
58
(
(N2 1)
(AR 0.7)
(HE 1)
(H 1)
(O2 1)
(OH 1)
(O 1)
(H2 2)
(H2O 6)
(HO2 1)
(H2O2 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH3 1)
(CH4 2)
(CH2O 1)
(T-CH2 1)
(S-CH2 1)
(C2H4 1)
(CH3O 1)
(C2H5 1)
(C2H6 1)
(CH 1)
(C2H2 1)
(C2H4OOH 1)
(OC2H3OOH 1)
(C2H3 1)
(CH2CHO 1)
(C2H4O 1)
(HCCO 1)
(CH2CO 1)
(C2H 1)
(CH2OH 1)
(CH3OH 1)
(CH3CHO 1)
(CH3CO 1)
(C2H5OH 1)
(CH2CH2OH 1)
(CH3CHOH 1)
(CH3CH2O 1)
(C3H4 1)
(C3H3 1)
(C3H5 1)
(C3H6 1)
(C3H8 1)
(I-C3H7 1)
(N-C3H7 1)
(C3H6OOH 1)
(OC3H5OOH 1)
(C4H10 1)
(PC4H9 1)
(SC4H9 1)
(C4H8 1)
(SC4H9O2 1)
(C4H8OOH1-3 1)
(NC4KET13 1)
(CHCHO 1)
)
;
}
un-named-reaction-105
{
type reversiblethirdBodyArrheniusReaction;
reaction "C2H4 = C2H2 + H2";
A 3.5e+13;
beta 0;
Ta 35996.3;
coeffs
58
(
(N2 1)
(AR 0.7)
(HE 1)
(H 1)
(O2 1)
(OH 1)
(O 1)
(H2 2)
(H2O 6)
(HO2 1)
(H2O2 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH3 1)
(CH4 2)
(CH2O 1)
(T-CH2 1)
(S-CH2 1)
(C2H4 1)
(CH3O 1)
(C2H5 1)
(C2H6 1)
(CH 1)
(C2H2 1)
(C2H4OOH 1)
(OC2H3OOH 1)
(C2H3 1)
(CH2CHO 1)
(C2H4O 1)
(HCCO 1)
(CH2CO 1)
(C2H 1)
(CH2OH 1)
(CH3OH 1)
(CH3CHO 1)
(CH3CO 1)
(C2H5OH 1)
(CH2CH2OH 1)
(CH3CHOH 1)
(CH3CH2O 1)
(C3H4 1)
(C3H3 1)
(C3H5 1)
(C3H6 1)
(C3H8 1)
(I-C3H7 1)
(N-C3H7 1)
(C3H6OOH 1)
(OC3H5OOH 1)
(C4H10 1)
(PC4H9 1)
(SC4H9 1)
(C4H8 1)
(SC4H9O2 1)
(C4H8OOH1-3 1)
(NC4KET13 1)
(CHCHO 1)
)
;
}
un-named-reaction-106
{
type reversibleArrheniusReaction;
reaction "C2H3 + H = C2H2 + H2";
A 4e+10;
beta 0;
Ta 0;
}
un-named-reaction-107
{
type reversibleArrheniusTroeFallOffReaction;
reaction "C2H3 = C2H2 + H";
k0
{
A 1.51e+11;
beta 0.1;
Ta 16448.2;
}
kInf
{
A 6.38e+09;
beta 1;
Ta 18934.5;
}
F
{
alpha 0.3;
Tsss 1e+30;
Ts 1e-30;
Tss 0;
}
thirdBodyEfficiencies
{
coeffs
58
(
(N2 1)
(AR 0.7)
(HE 1)
(H 1)
(O2 1)
(OH 1)
(O 1)
(H2 2)
(H2O 6)
(HO2 1)
(H2O2 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH3 1)
(CH4 2)
(CH2O 1)
(T-CH2 1)
(S-CH2 1)
(C2H4 1)
(CH3O 1)
(C2H5 1)
(C2H6 1)
(CH 1)
(C2H2 1)
(C2H4OOH 1)
(OC2H3OOH 1)
(C2H3 1)
(CH2CHO 1)
(C2H4O 1)
(HCCO 1)
(CH2CO 1)
(C2H 1)
(CH2OH 1)
(CH3OH 1)
(CH3CHO 1)
(CH3CO 1)
(C2H5OH 1)
(CH2CH2OH 1)
(CH3CHOH 1)
(CH3CH2O 1)
(C3H4 1)
(C3H3 1)
(C3H5 1)
(C3H6 1)
(C3H8 1)
(I-C3H7 1)
(N-C3H7 1)
(C3H6OOH 1)
(OC3H5OOH 1)
(C4H10 1)
(PC4H9 1)
(SC4H9 1)
(C4H8 1)
(SC4H9O2 1)
(C4H8OOH1-3 1)
(NC4KET13 1)
(CHCHO 1)
)
;
}
}
un-named-reaction-108
{
type reversibleArrheniusReaction;
reaction "C2H3 + O2 = CH2O + HCO";
A 1.7e+26;
beta -5.312;
Ta 3272.49;
}
un-named-reaction-109
{
type reversibleArrheniusReaction;
reaction "C2H3 + O2 = CH2CHO + O";
A 7e+11;
beta -0.611;
Ta 2648.16;
}
un-named-reaction-110
{
type reversibleArrheniusReaction;
reaction "C2H3 + O2 = C2H2 + HO2";
A 5.19e+12;
beta -1.26;
Ta 1666.98;
}
un-named-reaction-111
{
type reversibleArrheniusReaction;
reaction "C2H2 + O = H + HCCO";
A 4e+11;
beta 0;
Ta 5364.15;
}
un-named-reaction-112
{
type reversibleArrheniusReaction;
reaction "C2H2 + O = CO + T-CH2";
A 1.6e+11;
beta 0;
Ta 4979.28;
}
un-named-reaction-113
{
type reversibleArrheniusReaction;
reaction "C2H2 + O2 = CH2O + CO";
A 4.6e+12;
beta -0.54;
Ta 22611.2;
}
un-named-reaction-114
{
type reversibleArrheniusReaction;
reaction "C2H2 + OH = CH2CO + H";
A 19000;
beta 1.7;
Ta 502.736;
}
un-named-reaction-115
{
type reversibleArrheniusReaction;
reaction "C2H2 + OH = C2H + H2O";
A 33700;
beta 2;
Ta 7045.56;
}
un-named-reaction-116
{
type reversibleArrheniusReaction;
reaction "CH2CO + H = CH3 + CO";
A 1.5e+06;
beta 1.43;
Ta 1353.06;
}
un-named-reaction-117
{
type reversibleArrheniusReaction;
reaction "CH2CO + O = CO2 + T-CH2";
A 2e+10;
beta 0;
Ta 1154.62;
}
un-named-reaction-118
{
type reversibleArrheniusReaction;
reaction "CH2CO + O = HCCO + OH";
A 1e+10;
beta 0;
Ta 1006.68;
}
un-named-reaction-119
{
type reversibleArrheniusReaction;
reaction "CH2CO + CH3 = C2H5 + CO";
A 9e+07;
beta 0;
Ta 0;
}
un-named-reaction-120
{
type reversibleArrheniusReaction;
reaction "H + HCCO = CO + S-CH2";
A 1.5e+11;
beta 0;
Ta 0;
}
un-named-reaction-121
{
type reversibleArrheniusReaction;
reaction "HCCO + OH = CO + H + HCO";
A 2e+09;
beta 0;
Ta 0;
}
un-named-reaction-122
{
type reversibleArrheniusReaction;
reaction "HCCO + O = 2CO + H";
A 9.64e+10;
beta 0;
Ta 0;
}
un-named-reaction-123
{
type reversibleArrheniusReaction;
reaction "HCCO + O2 = 2CO + OH";
A 28800;
beta 1.7;
Ta 503.939;
}
un-named-reaction-124
{
type reversibleArrheniusReaction;
reaction "HCCO + O2 = CO + CO2 + H";
A 14000;
beta 1.7;
Ta 503.939;
}
un-named-reaction-125
{
type reversibleArrheniusReaction;
reaction "C2H + OH = H + HCCO";
A 2e+10;
beta 0;
Ta 0;
}
un-named-reaction-126
{
type reversibleArrheniusReaction;
reaction "C2H + O = CH + CO";
A 1.02e+10;
beta 0;
Ta 0;
}
un-named-reaction-127
{
type reversibleArrheniusReaction;
reaction "C2H + O2 = HCCO + O";
A 6.02e+08;
beta 0;
Ta 0;
}
un-named-reaction-128
{
type reversibleArrheniusReaction;
reaction "C2H + O2 = CH + CO2";
A 4.5e+12;
beta 0;
Ta 12628.6;
}
un-named-reaction-129
{
type reversibleArrheniusReaction;
reaction "C2H + O2 = CO + HCO";
A 2.41e+09;
beta 0;
Ta 0;
}
un-named-reaction-130
{
type reversibleArrheniusReaction;
reaction "CH2OH + H = CH2O + H2";
A 3e+10;
beta 0;
Ta 0;
}
un-named-reaction-131
{
type reversibleArrheniusReaction;
reaction "CH2OH + H = CH3 + OH";
A 2.5e+14;
beta -0.93;
Ta 2579.96;
}
un-named-reaction-132
{
type reversibleArrheniusReaction;
reaction "CH2OH + OH = CH2O + H2O";
A 2.4e+10;
beta 0;
Ta 0;
}
un-named-reaction-133
{
type reversibleArrheniusReaction;
reaction "CH2OH + O2 = CH2O + HO2";
A 5e+09;
beta 0;
Ta 0;
}
un-named-reaction-134
{
type reversiblethirdBodyArrheniusReaction;
reaction "CH2OH = CH2O + H";
A 5e+10;
beta 0;
Ta 12640.6;
coeffs
58
(
(N2 1)
(AR 0.7)
(HE 1)
(H 1)
(O2 1)
(OH 1)
(O 1)
(H2 2)
(H2O 6)
(HO2 1)
(H2O2 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH3 1)
(CH4 2)
(CH2O 1)
(T-CH2 1)
(S-CH2 1)
(C2H4 1)
(CH3O 1)
(C2H5 1)
(C2H6 1)
(CH 1)
(C2H2 1)
(C2H4OOH 1)
(OC2H3OOH 1)
(C2H3 1)
(CH2CHO 1)
(C2H4O 1)
(HCCO 1)
(CH2CO 1)
(C2H 1)
(CH2OH 1)
(CH3OH 1)
(CH3CHO 1)
(CH3CO 1)
(C2H5OH 1)
(CH2CH2OH 1)
(CH3CHOH 1)
(CH3CH2O 1)
(C3H4 1)
(C3H3 1)
(C3H5 1)
(C3H6 1)
(C3H8 1)
(I-C3H7 1)
(N-C3H7 1)
(C3H6OOH 1)
(OC3H5OOH 1)
(C4H10 1)
(PC4H9 1)
(SC4H9 1)
(C4H8 1)
(SC4H9O2 1)
(C4H8OOH1-3 1)
(NC4KET13 1)
(CHCHO 1)
)
;
}
un-named-reaction-135
{
type reversiblethirdBodyArrheniusReaction;
reaction "CH3O = CH2OH";
A 1e+11;
beta 0;
Ta 9621.79;
coeffs
58
(
(N2 1)
(AR 0.7)
(HE 1)
(H 1)
(O2 1)
(OH 1)
(O 1)
(H2 2)
(H2O 6)
(HO2 1)
(H2O2 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH3 1)
(CH4 2)
(CH2O 1)
(T-CH2 1)
(S-CH2 1)
(C2H4 1)
(CH3O 1)
(C2H5 1)
(C2H6 1)
(CH 1)
(C2H2 1)
(C2H4OOH 1)
(OC2H3OOH 1)
(C2H3 1)
(CH2CHO 1)
(C2H4O 1)
(HCCO 1)
(CH2CO 1)
(C2H 1)
(CH2OH 1)
(CH3OH 1)
(CH3CHO 1)
(CH3CO 1)
(C2H5OH 1)
(CH2CH2OH 1)
(CH3CHOH 1)
(CH3CH2O 1)
(C3H4 1)
(C3H3 1)
(C3H5 1)
(C3H6 1)
(C3H8 1)
(I-C3H7 1)
(N-C3H7 1)
(C3H6OOH 1)
(OC3H5OOH 1)
(C4H10 1)
(PC4H9 1)
(SC4H9 1)
(C4H8 1)
(SC4H9O2 1)
(C4H8OOH1-3 1)
(NC4KET13 1)
(CHCHO 1)
)
;
}
un-named-reaction-136
{
type reversibleArrheniusReaction;
reaction "CH2CO + OH = CH2OH + CO";
A 1.02e+10;
beta 0;
Ta 0;
}
un-named-reaction-137
{
type reversibleArrheniusReaction;
reaction "CH3OH + OH = CH2OH + H2O";
A 1440;
beta 2;
Ta -422.156;
}
un-named-reaction-138
{
type reversibleArrheniusReaction;
reaction "CH3OH + OH = CH3O + H2O";
A 4400;
beta 2;
Ta 757.718;
}
un-named-reaction-139
{
type reversibleArrheniusReaction;
reaction "CH3OH + H = CH2OH + H2";
A 1.354;
beta 3.2;
Ta 1756.58;
}
un-named-reaction-140
{
type reversibleArrheniusReaction;
reaction "CH3OH + H = CH3O + H2";
A 0.0683;
beta 3.4;
Ta 3643.29;
}
un-named-reaction-141
{
type reversibleArrheniusReaction;
reaction "CH3OH + O = CH2OH + OH";
A 388;
beta 2.5;
Ta 1550.31;
}
un-named-reaction-142
{
type reversibleArrheniusReaction;
reaction "CH3OH + HO2 = CH2OH + H2O2";
A 8e+10;
beta 0;
Ta 9754.09;
}
un-named-reaction-143
{
type reversibleArrheniusReaction;
reaction "CH3OH + O2 = CH2OH + HO2";
A 2e+10;
beta 0;
Ta 22611.2;
}
un-named-reaction-144
{
type reversibleArrheniusTroeFallOffReaction;
reaction "CH3OH = CH3 + OH";
k0
{
A 2.95e+41;
beta -7.35;
Ta 48037.4;
}
kInf
{
A 1.9e+16;
beta 0;
Ta 46160.3;
}
F
{
alpha 0.414;
Tsss 280;
Ts 5500;
Tss 0;
}
thirdBodyEfficiencies
{
coeffs
58
(
(N2 1)
(AR 0.7)
(HE 1)
(H 1)
(O2 1)
(OH 1)
(O 1)
(H2 2)
(H2O 6)
(HO2 1)
(H2O2 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH3 1)
(CH4 2)
(CH2O 1)
(T-CH2 1)
(S-CH2 1)
(C2H4 1)
(CH3O 1)
(C2H5 1)
(C2H6 1)
(CH 1)
(C2H2 1)
(C2H4OOH 1)
(OC2H3OOH 1)
(C2H3 1)
(CH2CHO 1)
(C2H4O 1)
(HCCO 1)
(CH2CO 1)
(C2H 1)
(CH2OH 1)
(CH3OH 1)
(CH3CHO 1)
(CH3CO 1)
(C2H5OH 1)
(CH2CH2OH 1)
(CH3CHOH 1)
(CH3CH2O 1)
(C3H4 1)
(C3H3 1)
(C3H5 1)
(C3H6 1)
(C3H8 1)
(I-C3H7 1)
(N-C3H7 1)
(C3H6OOH 1)
(OC3H5OOH 1)
(C4H10 1)
(PC4H9 1)
(SC4H9 1)
(C4H8 1)
(SC4H9O2 1)
(C4H8OOH1-3 1)
(NC4KET13 1)
(CHCHO 1)
)
;
}
}
un-named-reaction-145
{
type reversibleArrheniusReaction;
reaction "CH2CHO = CH2CO + H";
A 1.047e+37;
beta -7.189;
Ta 22312.9;
}
un-named-reaction-146
{
type reversibleArrheniusReaction;
reaction "CH2CHO + H = CH3 + HCO";
A 5e+10;
beta 0;
Ta 0;
}
un-named-reaction-147
{
type reversibleArrheniusReaction;
reaction "CH2CHO + H = CH2CO + H2";
A 2e+10;
beta 0;
Ta 0;
}
un-named-reaction-148
{
type reversibleArrheniusReaction;
reaction "CH2CHO + O = CH2O + HCO";
A 1e+11;
beta 0;
Ta 0;
}
un-named-reaction-149
{
type reversibleArrheniusReaction;
reaction "CH2CHO + OH = CH2CO + H2O";
A 3e+10;
beta 0;
Ta 0;
}
un-named-reaction-150
{
type reversibleArrheniusReaction;
reaction "CH2CHO + O2 = CH2O + CO + OH";
A 3e+07;
beta 0;
Ta 0;
}
un-named-reaction-151
{
type reversibleArrheniusReaction;
reaction "CH2CHO + CH3 = C2H5 + CO + H";
A 4.9e+11;
beta -0.5;
Ta 0;
}
un-named-reaction-152
{
type reversibleArrheniusReaction;
reaction "CH2CHO + HO2 = CH2O + HCO + OH";
A 7e+09;
beta 0;
Ta 0;
}
un-named-reaction-153
{
type reversibleArrheniusReaction;
reaction "CH2CHO + HO2 = CH3CHO + O2";
A 3e+09;
beta 0;
Ta 0;
}
un-named-reaction-154
{
type reversibleArrheniusReaction;
reaction "CH2CHO = CH3 + CO";
A 1.17e+43;
beta -9.8;
Ta 22041;
}
un-named-reaction-155
{
type reversibleArrheniusReaction;
reaction "CH3CHO = CH3 + HCO";
A 7e+15;
beta 0;
Ta 41113.1;
}
un-named-reaction-156
{
type reversibleArrheniusTroeFallOffReaction;
reaction "CH3CO = CH3 + CO";
k0
{
A 1.2e+12;
beta 0;
Ta 6290.24;
}
kInf
{
A 3e+12;
beta 0;
Ta 8403.79;
}
F
{
alpha 1;
Tsss 1;
Ts 1e+07;
Tss 1e+07;
}
thirdBodyEfficiencies
{
coeffs
58
(
(N2 1)
(AR 0.7)
(HE 1)
(H 1)
(O2 1)
(OH 1)
(O 1)
(H2 2)
(H2O 6)
(HO2 1)
(H2O2 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH3 1)
(CH4 2)
(CH2O 1)
(T-CH2 1)
(S-CH2 1)
(C2H4 1)
(CH3O 1)
(C2H5 1)
(C2H6 1)
(CH 1)
(C2H2 1)
(C2H4OOH 1)
(OC2H3OOH 1)
(C2H3 1)
(CH2CHO 1)
(C2H4O 1)
(HCCO 1)
(CH2CO 1)
(C2H 1)
(CH2OH 1)
(CH3OH 1)
(CH3CHO 1)
(CH3CO 1)
(C2H5OH 1)
(CH2CH2OH 1)
(CH3CHOH 1)
(CH3CH2O 1)
(C3H4 1)
(C3H3 1)
(C3H5 1)
(C3H6 1)
(C3H8 1)
(I-C3H7 1)
(N-C3H7 1)
(C3H6OOH 1)
(OC3H5OOH 1)
(C4H10 1)
(PC4H9 1)
(SC4H9 1)
(C4H8 1)
(SC4H9O2 1)
(C4H8OOH1-3 1)
(NC4KET13 1)
(CHCHO 1)
)
;
}
}
un-named-reaction-157
{
type reversibleArrheniusReaction;
reaction "CH3CHO + OH = CH3CO + H2O";
A 3.37e+09;
beta 0;
Ta -311.986;
}
un-named-reaction-158
{
type reversibleArrheniusReaction;
reaction "CH3CHO + OH = CH2CHO + H2O";
A 3.37e+08;
beta 0;
Ta -311.986;
}
un-named-reaction-159
{
type reversibleArrheniusReaction;
reaction "CH3CHO + O = CH3CO + OH";
A 1.77e+15;
beta -1.9;
Ta 1499.55;
}
un-named-reaction-160
{
type reversibleArrheniusReaction;
reaction "CH3CHO + O = CH2CHO + OH";
A 3.72e+10;
beta -0.2;
Ta 1791.46;
}
un-named-reaction-161
{
type reversibleArrheniusReaction;
reaction "CH3CHO + H = CH3CO + H2";
A 4.66e+10;
beta -0.3;
Ta 1504.61;
}
un-named-reaction-162
{
type reversibleArrheniusReaction;
reaction "CH3CHO + H = CH2CHO + H2";
A 1.85e+09;
beta 0.4;
Ta 2697.23;
}
un-named-reaction-163
{
type reversibleArrheniusReaction;
reaction "CH3 + CH3CHO = CH3CO + CH4";
A 3.9e-10;
beta 5.8;
Ta 1107.11;
}
un-named-reaction-164
{
type reversibleArrheniusReaction;
reaction "CH3 + CH3CHO = CH2CHO + CH4";
A 0.0245;
beta 3.1;
Ta 2883.41;
}
un-named-reaction-165
{
type reversibleArrheniusReaction;
reaction "CH3CHO + HO2 = CH3CO + H2O2";
A 3.6e+16;
beta -2.2;
Ta 7045.07;
}
un-named-reaction-166
{
type reversibleArrheniusReaction;
reaction "CH3CHO + HO2 = CH2CHO + H2O2";
A 2.32e+08;
beta 0.4;
Ta 7498.02;
}
un-named-reaction-167
{
type reversibleArrheniusReaction;
reaction "CH3CHO + O2 = CH3CO + HO2";
A 1e+11;
beta 0;
Ta 21235.9;
}
un-named-reaction-168
{
type reversibleArrheniusTroeFallOffReaction;
reaction "C2H5OH = CH2OH + CH3";
k0
{
A 3e+13;
beta 0;
Ta 29186.7;
}
kInf
{
A 5e+15;
beta 0;
Ta 41264;
}
F
{
alpha 0.5;
Tsss 1e-30;
Ts 1e+30;
Tss 0;
}
thirdBodyEfficiencies
{
coeffs
58
(
(N2 1)
(AR 0.7)
(HE 1)
(H 1)
(O2 1)
(OH 1)
(O 1)
(H2 2)
(H2O 6)
(HO2 1)
(H2O2 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH3 1)
(CH4 2)
(CH2O 1)
(T-CH2 1)
(S-CH2 1)
(C2H4 1)
(CH3O 1)
(C2H5 1)
(C2H6 1)
(CH 1)
(C2H2 1)
(C2H4OOH 1)
(OC2H3OOH 1)
(C2H3 1)
(CH2CHO 1)
(C2H4O 1)
(HCCO 1)
(CH2CO 1)
(C2H 1)
(CH2OH 1)
(CH3OH 1)
(CH3CHO 1)
(CH3CO 1)
(C2H5OH 1)
(CH2CH2OH 1)
(CH3CHOH 1)
(CH3CH2O 1)
(C3H4 1)
(C3H3 1)
(C3H5 1)
(C3H6 1)
(C3H8 1)
(I-C3H7 1)
(N-C3H7 1)
(C3H6OOH 1)
(OC3H5OOH 1)
(C4H10 1)
(PC4H9 1)
(SC4H9 1)
(C4H8 1)
(SC4H9O2 1)
(C4H8OOH1-3 1)
(NC4KET13 1)
(CHCHO 1)
)
;
}
}
un-named-reaction-169
{
type reversibleArrheniusTroeFallOffReaction;
reaction "C2H5OH = C2H4 + H2O";
k0
{
A 1e+14;
beta 0;
Ta 27173.9;
}
kInf
{
A 8e+13;
beta 0;
Ta 32709.3;
}
F
{
alpha 0.5;
Tsss 1e-30;
Ts 1e+30;
Tss 0;
}
thirdBodyEfficiencies
{
coeffs
58
(
(N2 1)
(AR 0.7)
(HE 1)
(H 1)
(O2 1)
(OH 1)
(O 1)
(H2 2)
(H2O 6)
(HO2 1)
(H2O2 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH3 1)
(CH4 2)
(CH2O 1)
(T-CH2 1)
(S-CH2 1)
(C2H4 1)
(CH3O 1)
(C2H5 1)
(C2H6 1)
(CH 1)
(C2H2 1)
(C2H4OOH 1)
(OC2H3OOH 1)
(C2H3 1)
(CH2CHO 1)
(C2H4O 1)
(HCCO 1)
(CH2CO 1)
(C2H 1)
(CH2OH 1)
(CH3OH 1)
(CH3CHO 1)
(CH3CO 1)
(C2H5OH 1)
(CH2CH2OH 1)
(CH3CHOH 1)
(CH3CH2O 1)
(C3H4 1)
(C3H3 1)
(C3H5 1)
(C3H6 1)
(C3H8 1)
(I-C3H7 1)
(N-C3H7 1)
(C3H6OOH 1)
(OC3H5OOH 1)
(C4H10 1)
(PC4H9 1)
(SC4H9 1)
(C4H8 1)
(SC4H9O2 1)
(C4H8OOH1-3 1)
(NC4KET13 1)
(CHCHO 1)
)
;
}
}
un-named-reaction-170
{
type reversibleArrheniusReaction;
reaction "C2H5OH + OH = CH2CH2OH + H2O";
A 1.81e+08;
beta 0.4;
Ta 360.818;
}
un-named-reaction-171
{
type reversibleArrheniusReaction;
reaction "C2H5OH + OH = CH3CHOH + H2O";
A 3.09e+07;
beta 0.5;
Ta -191.233;
}
un-named-reaction-172
{
type reversibleArrheniusReaction;
reaction "C2H5OH + OH = CH3CH2O + H2O";
A 1.05e+07;
beta 0.8;
Ta 360.818;
}
un-named-reaction-173
{
type reversibleArrheniusReaction;
reaction "C2H5OH + H = CH2CH2OH + H2";
A 19000;
beta 1.8;
Ta 2566.37;
}
un-named-reaction-174
{
type reversibleArrheniusReaction;
reaction "C2H5OH + H = CH3CHOH + H2";
A 25800;
beta 1.6;
Ta 1424.15;
}
un-named-reaction-175
{
type reversibleArrheniusReaction;
reaction "C2H5OH + H = CH3CH2O + H2";
A 15000;
beta 1.6;
Ta 1529.74;
}
un-named-reaction-176
{
type reversibleArrheniusReaction;
reaction "C2H5OH + O = CH2CH2OH + OH";
A 94100;
beta 1.7;
Ta 2747.62;
}
un-named-reaction-177
{
type reversibleArrheniusReaction;
reaction "C2H5OH + O = CH3CHOH + OH";
A 18800;
beta 1.9;
Ta 915.875;
}
un-named-reaction-178
{
type reversibleArrheniusReaction;
reaction "C2H5OH + O = CH3CH2O + OH";
A 15800;
beta 2;
Ta 2239.35;
}
un-named-reaction-179
{
type reversibleArrheniusReaction;
reaction "C2H5OH + CH3 = CH2CH2OH + CH4";
A 0.219;
beta 3.2;
Ta 4840.96;
}
un-named-reaction-180
{
type reversibleArrheniusReaction;
reaction "C2H5OH + CH3 = CH3CHOH + CH4";
A 0.728;
beta 3;
Ta 4000.62;
}
un-named-reaction-181
{
type reversibleArrheniusReaction;
reaction "C2H5OH + CH3 = CH3CH2O + CH4";
A 0.145;
beta 3;
Ta 3849.68;
}
un-named-reaction-182
{
type reversibleArrheniusReaction;
reaction "C2H5OH + HO2 = CH3CHOH + H2O2";
A 8.2;
beta 2.5;
Ta 5434.75;
}
un-named-reaction-183
{
type reversibleArrheniusReaction;
reaction "C2H5OH + HO2 = CH2CH2OH + H2O2";
A 24.3;
beta 2.5;
Ta 7950.84;
}
un-named-reaction-184
{
type reversibleArrheniusReaction;
reaction "C2H5OH + HO2 = CH3CH2O + H2O2";
A 3.8e+09;
beta 0;
Ta 12077.3;
}
un-named-reaction-185
{
type reversibleArrheniusReaction;
reaction "C2H4 + OH = CH2CH2OH";
A 2.41e+08;
beta 0;
Ta -1197.67;
}
un-named-reaction-186
{
type reversibleArrheniusReaction;
reaction "C2H5 + HO2 = CH3CH2O + OH";
A 4e+10;
beta 0;
Ta 0;
}
un-named-reaction-187
{
type reversiblethirdBodyArrheniusReaction;
reaction "CH3CH2O = CH3CHO + H";
A 5.6e+31;
beta -5.9;
Ta 12731.4;
coeffs
58
(
(N2 1)
(AR 0.7)
(HE 1)
(H 1)
(O2 1)
(OH 1)
(O 1)
(H2 2)
(H2O 6)
(HO2 1)
(H2O2 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH3 1)
(CH4 2)
(CH2O 1)
(T-CH2 1)
(S-CH2 1)
(C2H4 1)
(CH3O 1)
(C2H5 1)
(C2H6 1)
(CH 1)
(C2H2 1)
(C2H4OOH 1)
(OC2H3OOH 1)
(C2H3 1)
(CH2CHO 1)
(C2H4O 1)
(HCCO 1)
(CH2CO 1)
(C2H 1)
(CH2OH 1)
(CH3OH 1)
(CH3CHO 1)
(CH3CO 1)
(C2H5OH 1)
(CH2CH2OH 1)
(CH3CHOH 1)
(CH3CH2O 1)
(C3H4 1)
(C3H3 1)
(C3H5 1)
(C3H6 1)
(C3H8 1)
(I-C3H7 1)
(N-C3H7 1)
(C3H6OOH 1)
(OC3H5OOH 1)
(C4H10 1)
(PC4H9 1)
(SC4H9 1)
(C4H8 1)
(SC4H9O2 1)
(C4H8OOH1-3 1)
(NC4KET13 1)
(CHCHO 1)
)
;
}
un-named-reaction-188
{
type reversiblethirdBodyArrheniusReaction;
reaction "CH3CH2O = CH2O + CH3";
A 5.35e+34;
beta -7;
Ta 11976.6;
coeffs
58
(
(N2 1)
(AR 0.7)
(HE 1)
(H 1)
(O2 1)
(OH 1)
(O 1)
(H2 2)
(H2O 6)
(HO2 1)
(H2O2 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH3 1)
(CH4 2)
(CH2O 1)
(T-CH2 1)
(S-CH2 1)
(C2H4 1)
(CH3O 1)
(C2H5 1)
(C2H6 1)
(CH 1)
(C2H2 1)
(C2H4OOH 1)
(OC2H3OOH 1)
(C2H3 1)
(CH2CHO 1)
(C2H4O 1)
(HCCO 1)
(CH2CO 1)
(C2H 1)
(CH2OH 1)
(CH3OH 1)
(CH3CHO 1)
(CH3CO 1)
(C2H5OH 1)
(CH2CH2OH 1)
(CH3CHOH 1)
(CH3CH2O 1)
(C3H4 1)
(C3H3 1)
(C3H5 1)
(C3H6 1)
(C3H8 1)
(I-C3H7 1)
(N-C3H7 1)
(C3H6OOH 1)
(OC3H5OOH 1)
(C4H10 1)
(PC4H9 1)
(SC4H9 1)
(C4H8 1)
(SC4H9O2 1)
(C4H8OOH1-3 1)
(NC4KET13 1)
(CHCHO 1)
)
;
}
un-named-reaction-189
{
type reversibleArrheniusReaction;
reaction "CH3CH2O + O2 = CH3CHO + HO2";
A 4e+07;
beta 0;
Ta 553.491;
}
un-named-reaction-190
{
type reversibleArrheniusReaction;
reaction "CH3CH2O + CO = C2H5 + CO2";
A 0.468;
beta 3.2;
Ta 2707.33;
}
un-named-reaction-191
{
type reversibleArrheniusReaction;
reaction "CH3CH2O + H = CH2OH + CH3";
A 3e+10;
beta 0;
Ta 0;
}
un-named-reaction-192
{
type reversibleArrheniusReaction;
reaction "CH3CH2O + H = C2H4 + H2O";
A 3e+10;
beta 0;
Ta 0;
}
un-named-reaction-193
{
type reversibleArrheniusReaction;
reaction "CH3CH2O + OH = CH3CHO + H2O";
A 1e+10;
beta 0;
Ta 0;
}
un-named-reaction-194
{
type reversibleArrheniusReaction;
reaction "CH3CHOH + O2 = CH3CHO + HO2";
A 4.82e+10;
beta 0;
Ta 2526.2;
}
un-named-reaction-195
{
type reversibleArrheniusReaction;
reaction "CH3CHOH + O = CH3CHO + OH";
A 1e+11;
beta 0;
Ta 0;
}
un-named-reaction-196
{
type reversibleArrheniusReaction;
reaction "CH3CHOH + H = C2H4 + H2O";
A 3e+10;
beta 0;
Ta 0;
}
un-named-reaction-197
{
type reversibleArrheniusReaction;
reaction "CH3CHOH + H = CH2OH + CH3";
A 3e+10;
beta 0;
Ta 0;
}
un-named-reaction-198
{
type reversibleArrheniusReaction;
reaction "CH3CHOH + HO2 = CH3CHO + 2OH";
A 4e+10;
beta 0;
Ta 0;
}
un-named-reaction-199
{
type reversibleArrheniusReaction;
reaction "CH3CHOH + OH = CH3CHO + H2O";
A 5e+09;
beta 0;
Ta 0;
}
un-named-reaction-200
{
type reversiblethirdBodyArrheniusReaction;
reaction "CH3CHOH = CH3CHO + H";
A 1e+11;
beta 0;
Ta 12580.5;
coeffs
58
(
(N2 1)
(AR 0.7)
(HE 1)
(H 1)
(O2 1)
(OH 1)
(O 1)
(H2 2)
(H2O 6)
(HO2 1)
(H2O2 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH3 1)
(CH4 2)
(CH2O 1)
(T-CH2 1)
(S-CH2 1)
(C2H4 1)
(CH3O 1)
(C2H5 1)
(C2H6 1)
(CH 1)
(C2H2 1)
(C2H4OOH 1)
(OC2H3OOH 1)
(C2H3 1)
(CH2CHO 1)
(C2H4O 1)
(HCCO 1)
(CH2CO 1)
(C2H 1)
(CH2OH 1)
(CH3OH 1)
(CH3CHO 1)
(CH3CO 1)
(C2H5OH 1)
(CH2CH2OH 1)
(CH3CHOH 1)
(CH3CH2O 1)
(C3H4 1)
(C3H3 1)
(C3H5 1)
(C3H6 1)
(C3H8 1)
(I-C3H7 1)
(N-C3H7 1)
(C3H6OOH 1)
(OC3H5OOH 1)
(C4H10 1)
(PC4H9 1)
(SC4H9 1)
(C4H8 1)
(SC4H9O2 1)
(C4H8OOH1-3 1)
(NC4KET13 1)
(CHCHO 1)
)
;
}
un-named-reaction-201
{
type reversibleArrheniusReaction;
reaction "C3H4 + O = C2H4 + CO";
A 20000;
beta 1.8;
Ta 503.22;
}
un-named-reaction-202
{
type reversibleArrheniusReaction;
reaction "C2H2 + CH3 = C3H4 + H";
A 2.56e+06;
beta 1.1;
Ta 6865.87;
}
un-named-reaction-203
{
type reversibleArrheniusReaction;
reaction "C3H4 + O = CH3 + HCCO";
A 7.3e+09;
beta 0;
Ta 1132.24;
}
un-named-reaction-204
{
type reversibleArrheniusTroeFallOffReaction;
reaction "C3H3 + H = C3H4";
k0
{
A 9e+09;
beta 1;
Ta 0;
}
kInf
{
A 3e+10;
beta 0;
Ta 0;
}
F
{
alpha 0.5;
Tsss 1e+30;
Ts 1e-30;
Tss 0;
}
thirdBodyEfficiencies
{
coeffs
58
(
(N2 1)
(AR 1)
(HE 1)
(H 1)
(O2 1)
(OH 1)
(O 1)
(H2 1)
(H2O 1)
(HO2 1)
(H2O2 1)
(CO 1)
(CO2 1)
(HCO 1)
(CH3 1)
(CH4 1)
(CH2O 1)
(T-CH2 1)
(S-CH2 1)
(C2H4 1)
(CH3O 1)
(C2H5 1)
(C2H6 1)
(CH 1)
(C2H2 1)
(C2H4OOH 1)
(OC2H3OOH 1)
(C2H3 1)
(CH2CHO 1)
(C2H4O 1)
(HCCO 1)
(CH2CO 1)
(C2H 1)
(CH2OH 1)
(CH3OH 1)
(CH3CHO 1)
(CH3CO 1)
(C2H5OH 1)
(CH2CH2OH 1)
(CH3CHOH 1)
(CH3CH2O 1)
(C3H4 1)
(C3H3 1)
(C3H5 1)
(C3H6 1)
(C3H8 1)
(I-C3H7 1)
(N-C3H7 1)
(C3H6OOH 1)
(OC3H5OOH 1)
(C4H10 1)
(PC4H9 1)
(SC4H9 1)
(C4H8 1)
(SC4H9O2 1)
(C4H8OOH1-3 1)
(NC4KET13 1)
(CHCHO 1)
)
;
}
}
un-named-reaction-205
{
type reversibleArrheniusReaction;
reaction "C3H3 + HO2 = C3H4 + O2";
A 2.5e+09;
beta 0;
Ta 0;
}
un-named-reaction-206
{
type reversibleArrheniusReaction;
reaction "C3H4 + OH = C3H3 + H2O";
A 5300;
beta 2;
Ta 1006.44;
}
un-named-reaction-207
{
type reversibleArrheniusReaction;
reaction "C3H3 + O2 = CH2CO + HCO";
A 3e+07;
beta 0;
Ta 1443.27;
}
un-named-reaction-208
{
type reversibleArrheniusTroeFallOffReaction;
reaction "C3H4 + H = C3H5";
k0
{
A 3e+18;
beta -2;
Ta 0;
}
kInf
{
A 4e+10;
beta 0;
Ta 0;
}
F
{
alpha 0.8;
Tsss 1e+30;
Ts 1e-30;
Tss 0;
}
thirdBodyEfficiencies
{
coeffs
58
(
(N2 1)
(AR 1)
(HE 1)
(H 1)
(O2 1)
(OH 1)
(O 1)
(H2 1)
(H2O 1)
(HO2 1)
(H2O2 1)
(CO 1)
(CO2 1)
(HCO 1)
(CH3 1)
(CH4 1)
(CH2O 1)
(T-CH2 1)
(S-CH2 1)
(C2H4 1)
(CH3O 1)
(C2H5 1)
(C2H6 1)
(CH 1)
(C2H2 1)
(C2H4OOH 1)
(OC2H3OOH 1)
(C2H3 1)
(CH2CHO 1)
(C2H4O 1)
(HCCO 1)
(CH2CO 1)
(C2H 1)
(CH2OH 1)
(CH3OH 1)
(CH3CHO 1)
(CH3CO 1)
(C2H5OH 1)
(CH2CH2OH 1)
(CH3CHOH 1)
(CH3CH2O 1)
(C3H4 1)
(C3H3 1)
(C3H5 1)
(C3H6 1)
(C3H8 1)
(I-C3H7 1)
(N-C3H7 1)
(C3H6OOH 1)
(OC3H5OOH 1)
(C4H10 1)
(PC4H9 1)
(SC4H9 1)
(C4H8 1)
(SC4H9O2 1)
(C4H8OOH1-3 1)
(NC4KET13 1)
(CHCHO 1)
)
;
}
}
un-named-reaction-209
{
type reversibleArrheniusReaction;
reaction "C3H5 + H = C3H4 + H2";
A 1.8e+10;
beta 0;
Ta 0;
}
un-named-reaction-210
{
type reversibleArrheniusReaction;
reaction "C3H5 + O2 = C3H4 + HO2";
A 4.99e+12;
beta -1.4;
Ta 11286.2;
}
un-named-reaction-211
{
type reversibleArrheniusReaction;
reaction "C3H5 + CH3 = C3H4 + CH4";
A 3e+09;
beta -0.32;
Ta -65.9117;
}
un-named-reaction-212
{
type reversibleArrheniusTroeFallOffReaction;
reaction "C2H2 + CH3 = C3H5";
k0
{
A 2000;
beta 1;
Ta 0;
}
kInf
{
A 600000;
beta 0;
Ta 0;
}
F
{
alpha 0.5;
Tsss 1e+30;
Ts 1e-30;
Tss 0;
}
thirdBodyEfficiencies
{
coeffs
58
(
(N2 1)
(AR 1)
(HE 1)
(H 1)
(O2 1)
(OH 1)
(O 1)
(H2 1)
(H2O 1)
(HO2 1)
(H2O2 1)
(CO 1)
(CO2 1)
(HCO 1)
(CH3 1)
(CH4 1)
(CH2O 1)
(T-CH2 1)
(S-CH2 1)
(C2H4 1)
(CH3O 1)
(C2H5 1)
(C2H6 1)
(CH 1)
(C2H2 1)
(C2H4OOH 1)
(OC2H3OOH 1)
(C2H3 1)
(CH2CHO 1)
(C2H4O 1)
(HCCO 1)
(CH2CO 1)
(C2H 1)
(CH2OH 1)
(CH3OH 1)
(CH3CHO 1)
(CH3CO 1)
(C2H5OH 1)
(CH2CH2OH 1)
(CH3CHOH 1)
(CH3CH2O 1)
(C3H4 1)
(C3H3 1)
(C3H5 1)
(C3H6 1)
(C3H8 1)
(I-C3H7 1)
(N-C3H7 1)
(C3H6OOH 1)
(OC3H5OOH 1)
(C4H10 1)
(PC4H9 1)
(SC4H9 1)
(C4H8 1)
(SC4H9O2 1)
(C4H8OOH1-3 1)
(NC4KET13 1)
(CHCHO 1)
)
;
}
}
un-named-reaction-213
{
type reversibleArrheniusReaction;
reaction "C3H5 + OH = C3H4 + H2O";
A 6e+09;
beta 0;
Ta 0;
}
un-named-reaction-214
{
type reversibleArrheniusReaction;
reaction "C3H3 + HCO = C3H4 + CO";
A 2.5e+10;
beta 0;
Ta 0;
}
un-named-reaction-215
{
type reversibleArrheniusReaction;
reaction "C3H3 + HO2 = C2H3 + CO + OH";
A 8e+08;
beta 0;
Ta 0;
}
un-named-reaction-216
{
type reversibleArrheniusReaction;
reaction "C3H4 + O2 = CH3 + CO + HCO";
A 4e+11;
beta 0;
Ta 21047.7;
}
un-named-reaction-217
{
type reversibleArrheniusReaction;
reaction "C3H6 + O = C2H5 + HCO";
A 35000;
beta 1.65;
Ta -489.507;
}
un-named-reaction-218
{
type reversibleArrheniusReaction;
reaction "C3H6 + OH = C3H5 + H2O";
A 3100;
beta 2;
Ta -150.1;
}
un-named-reaction-219
{
type reversibleArrheniusReaction;
reaction "C3H6 + O = CH2CO + CH3 + H";
A 120000;
beta 1.65;
Ta 164.774;
}
un-named-reaction-220
{
type reversibleArrheniusReaction;
reaction "C3H6 + H = C3H5 + H2";
A 170;
beta 2.5;
Ta 1254.44;
}
un-named-reaction-221
{
type reversibleArrheniusTroeFallOffReaction;
reaction "C3H5 + H = C3H6";
k0
{
A 1.33e+54;
beta -12;
Ta 3003.2;
}
kInf
{
A 2e+11;
beta 0;
Ta 0;
}
F
{
alpha 0.02;
Tsss 1097;
Ts 1097;
Tss 6860;
}
thirdBodyEfficiencies
{
coeffs
58
(
(N2 1)
(AR 0.7)
(HE 1)
(H 1)
(O2 1)
(OH 1)
(O 1)
(H2 2)
(H2O 6)
(HO2 1)
(H2O2 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH3 1)
(CH4 2)
(CH2O 1)
(T-CH2 1)
(S-CH2 1)
(C2H4 1)
(CH3O 1)
(C2H5 1)
(C2H6 3)
(CH 1)
(C2H2 1)
(C2H4OOH 1)
(OC2H3OOH 1)
(C2H3 1)
(CH2CHO 1)
(C2H4O 1)
(HCCO 1)
(CH2CO 1)
(C2H 1)
(CH2OH 1)
(CH3OH 1)
(CH3CHO 1)
(CH3CO 1)
(C2H5OH 1)
(CH2CH2OH 1)
(CH3CHOH 1)
(CH3CH2O 1)
(C3H4 1)
(C3H3 1)
(C3H5 1)
(C3H6 1)
(C3H8 1)
(I-C3H7 1)
(N-C3H7 1)
(C3H6OOH 1)
(OC3H5OOH 1)
(C4H10 1)
(PC4H9 1)
(SC4H9 1)
(C4H8 1)
(SC4H9O2 1)
(C4H8OOH1-3 1)
(NC4KET13 1)
(CHCHO 1)
)
;
}
}
un-named-reaction-222
{
type reversibleArrheniusReaction;
reaction "C3H5 + HO2 = C3H6 + O2";
A 2.66e+09;
beta 0;
Ta 0;
}
un-named-reaction-223
{
type reversibleArrheniusReaction;
reaction "C3H5 + HO2 = C2H3 + CH2O + OH";
A 3e+09;
beta 0;
Ta 0;
}
un-named-reaction-224
{
type reversibleArrheniusTroeFallOffReaction;
reaction "C2H3 + CH3 = C3H6";
k0
{
A 4.27e+52;
beta -11.94;
Ta 4916.73;
}
kInf
{
A 2.5e+10;
beta 0;
Ta 0;
}
F
{
alpha 0.175;
Tsss 1341;
Ts 60000;
Tss 10140;
}
thirdBodyEfficiencies
{
coeffs
58
(
(N2 1)
(AR 0.7)
(HE 1)
(H 1)
(O2 1)
(OH 1)
(O 1)
(H2 2)
(H2O 6)
(HO2 1)
(H2O2 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH3 1)
(CH4 2)
(CH2O 1)
(T-CH2 1)
(S-CH2 1)
(C2H4 1)
(CH3O 1)
(C2H5 1)
(C2H6 3)
(CH 1)
(C2H2 1)
(C2H4OOH 1)
(OC2H3OOH 1)
(C2H3 1)
(CH2CHO 1)
(C2H4O 1)
(HCCO 1)
(CH2CO 1)
(C2H 1)
(CH2OH 1)
(CH3OH 1)
(CH3CHO 1)
(CH3CO 1)
(C2H5OH 1)
(CH2CH2OH 1)
(CH3CHOH 1)
(CH3CH2O 1)
(C3H4 1)
(C3H3 1)
(C3H5 1)
(C3H6 1)
(C3H8 1)
(I-C3H7 1)
(N-C3H7 1)
(C3H6OOH 1)
(OC3H5OOH 1)
(C4H10 1)
(PC4H9 1)
(SC4H9 1)
(C4H8 1)
(SC4H9O2 1)
(C4H8OOH1-3 1)
(NC4KET13 1)
(CHCHO 1)
)
;
}
}
un-named-reaction-225
{
type reversibleArrheniusReaction;
reaction "C3H6 + H = C2H4 + CH3";
A 1.6e+19;
beta -2.39;
Ta 5628.75;
}
un-named-reaction-226
{
type reversibleArrheniusReaction;
reaction "C2H3 + CH3 = C3H5 + H";
A 1.5e+21;
beta -2.83;
Ta 9369.22;
}
un-named-reaction-227
{
type reversibleArrheniusTroeFallOffReaction;
reaction "C3H8 = C2H5 + CH3";
k0
{
A 7.83e+15;
beta 0;
Ta 32698.2;
}
kInf
{
A 1.1e+17;
beta 0;
Ta 42468.2;
}
F
{
alpha 0.76;
Tsss 1900;
Ts 38;
Tss 0;
}
thirdBodyEfficiencies
{
coeffs
58
(
(N2 1)
(AR 1)
(HE 1)
(H 1)
(O2 1)
(OH 1)
(O 1)
(H2 1)
(H2O 1)
(HO2 1)
(H2O2 1)
(CO 1)
(CO2 1)
(HCO 1)
(CH3 1)
(CH4 1)
(CH2O 1)
(T-CH2 1)
(S-CH2 1)
(C2H4 1)
(CH3O 1)
(C2H5 1)
(C2H6 1)
(CH 1)
(C2H2 1)
(C2H4OOH 1)
(OC2H3OOH 1)
(C2H3 1)
(CH2CHO 1)
(C2H4O 1)
(HCCO 1)
(CH2CO 1)
(C2H 1)
(CH2OH 1)
(CH3OH 1)
(CH3CHO 1)
(CH3CO 1)
(C2H5OH 1)
(CH2CH2OH 1)
(CH3CHOH 1)
(CH3CH2O 1)
(C3H4 1)
(C3H3 1)
(C3H5 1)
(C3H6 1)
(C3H8 1)
(I-C3H7 1)
(N-C3H7 1)
(C3H6OOH 1)
(OC3H5OOH 1)
(C4H10 1)
(PC4H9 1)
(SC4H9 1)
(C4H8 1)
(SC4H9O2 1)
(C4H8OOH1-3 1)
(NC4KET13 1)
(CHCHO 1)
)
;
}
}
un-named-reaction-228
{
type reversibleArrheniusReaction;
reaction "C3H8 + O2 = HO2 + I-C3H7";
A 4e+10;
beta 0;
Ta 23902.9;
}
un-named-reaction-229
{
type reversibleArrheniusReaction;
reaction "C3H8 + O2 = HO2 + N-C3H7";
A 4e+10;
beta 0;
Ta 25630;
}
un-named-reaction-230
{
type reversibleArrheniusReaction;
reaction "C3H8 + H = H2 + I-C3H7";
A 1300;
beta 2.4;
Ta 2249.93;
}
un-named-reaction-231
{
type reversibleArrheniusReaction;
reaction "C3H8 + H = H2 + N-C3H7";
A 1330;
beta 2.54;
Ta 3402.5;
}
un-named-reaction-232
{
type reversibleArrheniusReaction;
reaction "C3H8 + O = I-C3H7 + OH";
A 47.6;
beta 2.71;
Ta 1060.44;
}
un-named-reaction-233
{
type reversibleArrheniusReaction;
reaction "C3H8 + O = N-C3H7 + OH";
A 190;
beta 2.68;
Ta 1871.2;
}
un-named-reaction-234
{
type reversibleArrheniusReaction;
reaction "C3H8 + OH = H2O + N-C3H7";
A 1e+07;
beta 1;
Ta 805.101;
}
un-named-reaction-235
{
type reversibleArrheniusReaction;
reaction "C3H8 + OH = H2O + I-C3H7";
A 20000;
beta -1.6;
Ta -50.2716;
}
un-named-reaction-236
{
type reversibleArrheniusReaction;
reaction "C3H8 + HO2 = H2O2 + I-C3H7";
A 9.64;
beta 2.6;
Ta 7003.46;
}
un-named-reaction-237
{
type reversibleArrheniusReaction;
reaction "C3H8 + HO2 = H2O2 + N-C3H7";
A 47.6;
beta 2.55;
Ta 8298.8;
}
un-named-reaction-238
{
type reversibleArrheniusReaction;
reaction "C3H8 + I-C3H7 = C3H8 + N-C3H7";
A 8.4e-06;
beta 4.2;
Ta 4365.89;
}
un-named-reaction-239
{
type reversibleArrheniusTroeFallOffReaction;
reaction "C3H6 + H = I-C3H7";
k0
{
A 8.7e+36;
beta -7.5;
Ta 2381.39;
}
kInf
{
A 1.33e+10;
beta 0;
Ta 785.38;
}
F
{
alpha 1;
Tsss 1000;
Ts 645.4;
Tss 6844;
}
thirdBodyEfficiencies
{
coeffs
58
(
(N2 1)
(AR 0.7)
(HE 1)
(H 1)
(O2 1)
(OH 1)
(O 1)
(H2 2)
(H2O 6)
(HO2 1)
(H2O2 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH3 1)
(CH4 2)
(CH2O 1)
(T-CH2 1)
(S-CH2 1)
(C2H4 1)
(CH3O 1)
(C2H5 1)
(C2H6 3)
(CH 1)
(C2H2 1)
(C2H4OOH 1)
(OC2H3OOH 1)
(C2H3 1)
(CH2CHO 1)
(C2H4O 1)
(HCCO 1)
(CH2CO 1)
(C2H 1)
(CH2OH 1)
(CH3OH 1)
(CH3CHO 1)
(CH3CO 1)
(C2H5OH 1)
(CH2CH2OH 1)
(CH3CHOH 1)
(CH3CH2O 1)
(C3H4 1)
(C3H3 1)
(C3H5 1)
(C3H6 1)
(C3H8 1)
(I-C3H7 1)
(N-C3H7 1)
(C3H6OOH 1)
(OC3H5OOH 1)
(C4H10 1)
(PC4H9 1)
(SC4H9 1)
(C4H8 1)
(SC4H9O2 1)
(C4H8OOH1-3 1)
(NC4KET13 1)
(CHCHO 1)
)
;
}
}
un-named-reaction-240
{
type reversibleArrheniusReaction;
reaction "I-C3H7 + O2 = C3H6 + HO2";
A 1.3e+08;
beta 0;
Ta 0;
}
un-named-reaction-241
{
type reversibleArrheniusTroeFallOffReaction;
reaction "N-C3H7 = C2H4 + CH3";
k0
{
A 5.49e+46;
beta -10;
Ta 18004.7;
}
kInf
{
A 1.23e+13;
beta -0.1;
Ta 15202.4;
}
F
{
alpha -1.17;
Tsss 251;
Ts 1e-15;
Tss 1185;
}
thirdBodyEfficiencies
{
coeffs
58
(
(N2 1)
(AR 1)
(HE 1)
(H 1)
(O2 1)
(OH 1)
(O 1)
(H2 1)
(H2O 1)
(HO2 1)
(H2O2 1)
(CO 1)
(CO2 1)
(HCO 1)
(CH3 1)
(CH4 1)
(CH2O 1)
(T-CH2 1)
(S-CH2 1)
(C2H4 1)
(CH3O 1)
(C2H5 1)
(C2H6 1)
(CH 1)
(C2H2 1)
(C2H4OOH 1)
(OC2H3OOH 1)
(C2H3 1)
(CH2CHO 1)
(C2H4O 1)
(HCCO 1)
(CH2CO 1)
(C2H 1)
(CH2OH 1)
(CH3OH 1)
(CH3CHO 1)
(CH3CO 1)
(C2H5OH 1)
(CH2CH2OH 1)
(CH3CHOH 1)
(CH3CH2O 1)
(C3H4 1)
(C3H3 1)
(C3H5 1)
(C3H6 1)
(C3H8 1)
(I-C3H7 1)
(N-C3H7 1)
(C3H6OOH 1)
(OC3H5OOH 1)
(C4H10 1)
(PC4H9 1)
(SC4H9 1)
(C4H8 1)
(SC4H9O2 1)
(C4H8OOH1-3 1)
(NC4KET13 1)
(CHCHO 1)
)
;
}
}
un-named-reaction-242
{
type reversibleArrheniusTroeFallOffReaction;
reaction "C3H6 + H = N-C3H7";
k0
{
A 6.26e+32;
beta -6.66;
Ta 3522.78;
}
kInf
{
A 1.33e+10;
beta 0;
Ta 1640.52;
}
F
{
alpha 1;
Tsss 1000;
Ts 1310;
Tss 48100;
}
thirdBodyEfficiencies
{
coeffs
58
(
(N2 1)
(AR 0.7)
(HE 1)
(H 1)
(O2 1)
(OH 1)
(O 1)
(H2 2)
(H2O 6)
(HO2 1)
(H2O2 1)
(CO 1.5)
(CO2 2)
(HCO 1)
(CH3 1)
(CH4 2)
(CH2O 1)
(T-CH2 1)
(S-CH2 1)
(C2H4 1)
(CH3O 1)
(C2H5 1)
(C2H6 3)
(CH 1)
(C2H2 1)
(C2H4OOH 1)
(OC2H3OOH 1)
(C2H3 1)
(CH2CHO 1)
(C2H4O 1)
(HCCO 1)
(CH2CO 1)
(C2H 1)
(CH2OH 1)
(CH3OH 1)
(CH3CHO 1)
(CH3CO 1)
(C2H5OH 1)
(CH2CH2OH 1)
(CH3CHOH 1)
(CH3CH2O 1)
(C3H4 1)
(C3H3 1)
(C3H5 1)
(C3H6 1)
(C3H8 1)
(I-C3H7 1)
(N-C3H7 1)
(C3H6OOH 1)
(OC3H5OOH 1)
(C4H10 1)
(PC4H9 1)
(SC4H9 1)
(C4H8 1)
(SC4H9O2 1)
(C4H8OOH1-3 1)
(NC4KET13 1)
(CHCHO 1)
)
;
}
}
un-named-reaction-243
{
type reversibleArrheniusReaction;
reaction "N-C3H7 + O2 = C3H6 + HO2";
A 3.5e+13;
beta -1.6;
Ta 1761.27;
}
un-named-reaction-244
{
type reversibleArrheniusReaction;
reaction "N-C3H7 + O2 = C3H6OOH";
A 2e+09;
beta 0;
Ta 0;
}
un-named-reaction-245
{
type reversibleArrheniusReaction;
reaction "C3H6OOH = C3H6 + HO2";
A 2.5e+35;
beta -8.3;
Ta 11070.8;
}
un-named-reaction-246
{
type reversibleArrheniusReaction;
reaction "C3H6OOH + O2 = OC3H5OOH + OH";
A 150000;
beta 0;
Ta -3522.54;
}
un-named-reaction-247
{
type reversibleArrheniusReaction;
reaction "OC3H5OOH = CH2CHO + CH2O + OH";
A 1e+15;
beta 0;
Ta 21638.4;
}
un-named-reaction-248
{
type reversibleArrheniusTroeFallOffReaction;
reaction "C4H10 = 2C2H5";
k0
{
A 4.72e+15;
beta 0;
Ta 24949.7;
}
kInf
{
A 2.72e+15;
beta 0;
Ta 38048.4;
}
F
{
alpha 0.72;
Tsss 1500;
Ts 1e-10;
Tss 1e+10;
}
thirdBodyEfficiencies
{
coeffs
58
(
(N2 1)
(AR 1)
(HE 1)
(H 1)
(O2 1)
(OH 1)
(O 1)
(H2 1)
(H2O 1)
(HO2 1)
(H2O2 1)
(CO 1)
(CO2 1)
(HCO 1)
(CH3 1)
(CH4 1)
(CH2O 1)
(T-CH2 1)
(S-CH2 1)
(C2H4 1)
(CH3O 1)
(C2H5 1)
(C2H6 1)
(CH 1)
(C2H2 1)
(C2H4OOH 1)
(OC2H3OOH 1)
(C2H3 1)
(CH2CHO 1)
(C2H4O 1)
(HCCO 1)
(CH2CO 1)
(C2H 1)
(CH2OH 1)
(CH3OH 1)
(CH3CHO 1)
(CH3CO 1)
(C2H5OH 1)
(CH2CH2OH 1)
(CH3CHOH 1)
(CH3CH2O 1)
(C3H4 1)
(C3H3 1)
(C3H5 1)
(C3H6 1)
(C3H8 1)
(I-C3H7 1)
(N-C3H7 1)
(C3H6OOH 1)
(OC3H5OOH 1)
(C4H10 1)
(PC4H9 1)
(SC4H9 1)
(C4H8 1)
(SC4H9O2 1)
(C4H8OOH1-3 1)
(NC4KET13 1)
(CHCHO 1)
)
;
}
}
un-named-reaction-249
{
type reversibleArrheniusReaction;
reaction "C4H10 + O2 = HO2 + PC4H9";
A 6e+10;
beta 0;
Ta 26338.6;
}
un-named-reaction-250
{
type reversibleArrheniusReaction;
reaction "C4H10 + O2 = HO2 + SC4H9";
A 4e+10;
beta 0;
Ta 25060.3;
}
un-named-reaction-251
{
type reversibleArrheniusReaction;
reaction "C4H10 + HO2 = H2O2 + PC4H9";
A 0.0408;
beta 3.59;
Ta 8635.19;
}
un-named-reaction-252
{
type reversibleArrheniusReaction;
reaction "C4H10 + HO2 = H2O2 + SC4H9";
A 0.1264;
beta 3.37;
Ta 6904.12;
}
un-named-reaction-253
{
type reversibleArrheniusReaction;
reaction "C4H10 + O = OH + PC4H9";
A 1.13e+11;
beta 0;
Ta 3950.27;
}
un-named-reaction-254
{
type reversibleArrheniusReaction;
reaction "C4H10 + O = OH + SC4H9";
A 5.62e+10;
beta 0;
Ta 2616.74;
}
un-named-reaction-255
{
type reversibleArrheniusReaction;
reaction "C4H10 + OH = H2O + PC4H9";
A 1.054e+07;
beta 0.97;
Ta 798.126;
}
un-named-reaction-256
{
type reversibleArrheniusReaction;
reaction "C4H10 + OH = H2O + SC4H9";
A 93400;
beta 1.61;
Ta -17.5573;
}
un-named-reaction-257
{
type reversibleArrheniusReaction;
reaction "C4H10 + H = H2 + PC4H9";
A 2800;
beta 2.54;
Ta 3505.13;
}
un-named-reaction-258
{
type reversibleArrheniusReaction;
reaction "C4H10 + H = H2 + SC4H9";
A 1690;
beta 2.4;
Ta 2260.97;
}
un-named-reaction-259
{
type reversibleArrheniusReaction;
reaction "PC4H9 = C2H4 + C2H5";
A 3.504e+12;
beta 0.463;
Ta 14829.8;
}
un-named-reaction-260
{
type reversibleArrheniusReaction;
reaction "SC4H9 = C3H6 + CH3";
A 4.803e+10;
beta 1.044;
Ta 15272.7;
}
un-named-reaction-261
{
type reversibleArrheniusReaction;
reaction "C4H8 = C3H5 + CH3";
A 1e+16;
beta 0;
Ta 36683.1;
}
un-named-reaction-262
{
type reversibleArrheniusReaction;
reaction "C4H8 + H = C2H3 + C2H4 + H2";
A 660;
beta 2.54;
Ta 3403.71;
}
un-named-reaction-263
{
type reversibleArrheniusReaction;
reaction "O2 + SC4H9 = SC4H9O2";
A 7.5e+09;
beta 0;
Ta 0;
}
un-named-reaction-264
{
type reversibleArrheniusReaction;
reaction "SC4H9O2 = C4H8 + HO2";
A 5.075e+42;
beta -9.41;
Ta 20878.6;
}
un-named-reaction-265
{
type reversibleArrheniusReaction;
reaction "O2 + PC4H9 = C4H8 + HO2";
A 0.000837;
beta 3.59;
Ta 6038.63;
}
un-named-reaction-266
{
type reversibleArrheniusReaction;
reaction "O2 + PC4H9 = C4H8OOH1-3";
A 2e+09;
beta 0;
Ta 0;
}
un-named-reaction-267
{
type reversibleArrheniusReaction;
reaction "C4H8OOH1-3 = C4H8 + HO2";
A 2e+12;
beta 0;
Ta 12077.3;
}
un-named-reaction-268
{
type reversibleArrheniusReaction;
reaction "C4H8OOH1-3 + O2 = NC4KET13 + OH";
A 0.0035;
beta 2.234;
Ta -8333.32;
}
un-named-reaction-269
{
type reversibleArrheniusReaction;
reaction "NC4KET13 = CO2 + N-C3H7 + OH";
A 3e+16;
beta 0;
Ta 20883.6;
}
}
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