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reaction-mechanisms/USC_MECH_II/foamUSC_MECH_II
Yeongdo Park efa236ca05 USC Mech II
2018-11-07 02:14:09 +09:00

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species
111
(
AR
N2
H
O
OH
HO2
H2
H2O
H2O2
O2
C
CH
CH2
CH2*
CH3
CH4
HCO
CH2O
CH3O
CH2OH
CH3OH
CO
CO2
C2O
C2H
C2H2
H2CC
C2H3
C2H4
C2H5
C2H6
HCCO
HCCOH
CH2CO
CH3CO
CH2CHO
CH2OCH
CH3CHO
CH2OCH2
C3H3
pC3H4
aC3H4
cC3H4
aC3H5
CH3CCH2
CH3CHCH
C3H6
nC3H7
iC3H7
C3H8
CH2CHCO
C2H3CHO
CH3CHOCH2
CH3CH2CHO
CH3COCH3
C4H2
nC4H3
iC4H3
C4H4
nC4H5
iC4H5
C4H5-2
c-C4H5
C4H6
C4H612
C4H6-2
C4H7
iC4H7
C4H81
C4H82
iC4H8
pC4H9
sC4H9
iC4H9
tC4H9
C4H10
iC4H10
H2C4O
C4H4O
CH2CHCHCHO
CH3CHCHCO
C2H3CHOCH2
C4H6O23
CH3CHCHCHO
C4H6O25
C5H4O
C5H5O-13
C5H5O-24
C5H4OH
C5H5OH
C5H5
C5H6
lC5H7
C6H2
C6H3
l-C6H4
o-C6H4
C6H5
C6H6
C6H5CH2
C6H5CH3
C6H5C2H
C6H5O
C6H5OH
C6H4O2
C6H5CO
C6H5CHO
C6H5CH2OH
OC6H4CH3
HOC6H4CH3
C6H4CH3
)
;
reactions
{
un-named-reaction-0
{
type reversibleArrheniusReaction;
reaction "H + O2 = O + OH";
A 2.644e+13;
beta -0.6707;
Ta 8574.88;
}
un-named-reaction-1
{
type reversibleArrheniusReaction;
reaction "O + H2 = H + OH";
A 45.89;
beta 2.7;
Ta 3149.98;
}
un-named-reaction-2
{
type reversibleArrheniusReaction;
reaction "OH + H2 = H + H2O";
A 173400;
beta 1.51;
Ta 1725.95;
}
un-named-reaction-3
{
type reversibleArrheniusReaction;
reaction "OH + OH = O + H2O";
A 39.73;
beta 2.4;
Ta -1061.73;
}
un-named-reaction-4
{
type reversiblethirdBodyArrheniusReaction;
reaction "H + H = H2";
A 1.78e+12;
beta -1;
Ta 0;
coeffs
111
(
(AR 0.63)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 0)
(H2O 0)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 1)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1)
(CO2 0)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 1)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
un-named-reaction-5
{
type reversibleArrheniusReaction;
reaction "H + H + H2 = H2 + H2";
A 9e+10;
beta -0.6;
Ta 0;
}
un-named-reaction-6
{
type reversibleArrheniusReaction;
reaction "H + H + H2O = H2 + H2O";
A 5.624e+13;
beta -1.25;
Ta 0;
}
un-named-reaction-7
{
type reversibleArrheniusReaction;
reaction "H + H + CO2 = H2 + CO2";
A 5.5e+14;
beta -2;
Ta 0;
}
un-named-reaction-8
{
type reversiblethirdBodyArrheniusReaction;
reaction "H + OH = H2O";
A 4.4e+16;
beta -2;
Ta 0;
coeffs
111
(
(AR 0.38)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6.3)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 1)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.75)
(CO2 3.6)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 1)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
un-named-reaction-9
{
type reversiblethirdBodyArrheniusReaction;
reaction "O + H = OH";
A 9.428e+12;
beta -1;
Ta 0;
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 12)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 1)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.75)
(CO2 3.6)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 1)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
un-named-reaction-10
{
type reversiblethirdBodyArrheniusReaction;
reaction "O + O = O2";
A 1.2e+11;
beta -1;
Ta 0;
coeffs
111
(
(AR 0.83)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2.4)
(H2O 15.4)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 1)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.75)
(CO2 3.6)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 1)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
un-named-reaction-11
{
type reversibleArrheniusTroeFallOffReaction;
reaction "H + O2 = HO2";
k0
{
A 6.328e+13;
beta -1.4;
Ta 0;
}
kInf
{
A 5.116e+09;
beta 0.44;
Ta 0;
}
F
{
alpha 0.5;
Tsss 1e-30;
Ts 1e+30;
Tss 1e+15;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.4)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 1)
(H2O 11.89)
(H2O2 1)
(O2 0.85)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 1)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.09)
(CO2 2.18)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 1)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-12
{
type reversibleArrheniusReaction;
reaction "H2 + O2 = HO2 + H";
A 591.6;
beta 2.433;
Ta 26921.7;
}
un-named-reaction-13
{
type reversibleArrheniusTroeFallOffReaction;
reaction "OH + OH = H2O2";
k0
{
A 2.01e+11;
beta -0.584;
Ta -1153.82;
}
kInf
{
A 1.11e+11;
beta -0.37;
Ta 0;
}
F
{
alpha 0.7346;
Tsss 94;
Ts 1756;
Tss 5182;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 1)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.75)
(CO2 3.6)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 1)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-14
{
type reversibleArrheniusReaction;
reaction "HO2 + H = O + H2O";
A 3.97e+09;
beta 0;
Ta 337.641;
}
un-named-reaction-15
{
type reversibleArrheniusReaction;
reaction "HO2 + H = OH + OH";
A 7.485e+10;
beta 0;
Ta 148.441;
}
un-named-reaction-16
{
type reversibleArrheniusReaction;
reaction "HO2 + O = OH + O2";
A 4e+10;
beta 0;
Ta 0;
}
un-named-reaction-17
{
type reversibleArrheniusReaction;
reaction "HO2 + HO2 = O2 + H2O2";
A 1.3e+08;
beta 0;
Ta -820.202;
}
un-named-reaction-18
{
type reversibleArrheniusReaction;
reaction "HO2 + HO2 = O2 + H2O2";
A 3.658e+11;
beta 0;
Ta 6038.29;
}
un-named-reaction-19
{
type reversibleArrheniusReaction;
reaction "OH + HO2 = H2O + O2";
A 1.41e+15;
beta -1.76;
Ta 30.1915;
}
un-named-reaction-20
{
type reversibleArrheniusReaction;
reaction "OH + HO2 = H2O + O2";
A 1.12e+82;
beta -22.3;
Ta 13535.8;
}
un-named-reaction-21
{
type reversibleArrheniusReaction;
reaction "OH + HO2 = H2O + O2";
A 5.37e+67;
beta -16.72;
Ta 16555;
}
un-named-reaction-22
{
type reversibleArrheniusReaction;
reaction "OH + HO2 = H2O + O2";
A 2.51e+09;
beta 2;
Ta 20127.6;
}
un-named-reaction-23
{
type reversibleArrheniusReaction;
reaction "OH + HO2 = H2O + O2";
A 1e+133;
beta -40;
Ta 17511.1;
}
un-named-reaction-24
{
type reversibleArrheniusReaction;
reaction "H2O2 + H = HO2 + H2";
A 6050;
beta 2;
Ta 2616.59;
}
un-named-reaction-25
{
type reversibleArrheniusReaction;
reaction "H2O2 + H = OH + H2O";
A 2.41e+10;
beta 0;
Ta 1997.67;
}
un-named-reaction-26
{
type reversibleArrheniusReaction;
reaction "H2O2 + O = OH + HO2";
A 9630;
beta 2;
Ta 1997.67;
}
un-named-reaction-27
{
type reversibleArrheniusReaction;
reaction "H2O2 + OH = HO2 + H2O";
A 2e+09;
beta 0;
Ta 214.863;
}
un-named-reaction-28
{
type reversibleArrheniusReaction;
reaction "H2O2 + OH = HO2 + H2O";
A 2.67e+38;
beta -7;
Ta 18920;
}
un-named-reaction-29
{
type reversibleArrheniusLindemannFallOffReaction;
reaction "CO + O = CO2";
k0
{
A 1.173e+18;
beta -2.79;
Ta 2108.87;
}
kInf
{
A 1.362e+07;
beta 0;
Ta 1199.61;
}
F
{
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 12)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 1)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.75)
(CO2 3.6)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 1)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-30
{
type reversibleArrheniusReaction;
reaction "CO + OH = CO2 + H";
A 70.46;
beta 2.053;
Ta -178.97;
}
un-named-reaction-31
{
type reversibleArrheniusReaction;
reaction "CO + OH = CO2 + H";
A 5.757e+09;
beta -0.664;
Ta 166.974;
}
un-named-reaction-32
{
type reversibleArrheniusReaction;
reaction "CO + O2 = CO2 + O";
A 1.119e+09;
beta 0;
Ta 24002.2;
}
un-named-reaction-33
{
type reversibleArrheniusReaction;
reaction "CO + HO2 = CO2 + OH";
A 157;
beta 2.18;
Ta 9028.56;
}
un-named-reaction-34
{
type reversibleArrheniusReaction;
reaction "HCO + H = CO + H2";
A 1.2e+11;
beta 0;
Ta 0;
}
un-named-reaction-35
{
type reversibleArrheniusReaction;
reaction "HCO + O = CO + OH";
A 3e+10;
beta 0;
Ta 0;
}
un-named-reaction-36
{
type reversibleArrheniusReaction;
reaction "HCO + O = CO2 + H";
A 3e+10;
beta 0;
Ta 0;
}
un-named-reaction-37
{
type reversibleArrheniusReaction;
reaction "HCO + OH = CO + H2O";
A 3.02e+10;
beta 0;
Ta 0;
}
un-named-reaction-38
{
type reversiblethirdBodyArrheniusReaction;
reaction "HCO = CO + H";
A 1.87e+14;
beta -1;
Ta 8554.25;
coeffs
111
(
(AR 1)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 0)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 1)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.75)
(CO2 3.6)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 1)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
un-named-reaction-39
{
type reversibleArrheniusReaction;
reaction "HCO + H2O = CO + H + H2O";
A 2.244e+15;
beta -1;
Ta 8554.25;
}
un-named-reaction-40
{
type reversibleArrheniusReaction;
reaction "HCO + O2 = CO + HO2";
A 1.204e+07;
beta 0.807;
Ta -365.82;
}
un-named-reaction-41
{
type reversibleArrheniusTroeFallOffReaction;
reaction "CO + H2 = CH2O";
k0
{
A 5.07e+21;
beta -3.42;
Ta 42444.2;
}
kInf
{
A 43000;
beta 1.5;
Ta 40054;
}
F
{
alpha 0.932;
Tsss 197;
Ts 1540;
Tss 10300;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-42
{
type reversibleArrheniusReaction;
reaction "C + OH = CO + H";
A 5e+10;
beta 0;
Ta 0;
}
un-named-reaction-43
{
type reversibleArrheniusReaction;
reaction "C + O2 = CO + O";
A 5.8e+10;
beta 0;
Ta 289.838;
}
un-named-reaction-44
{
type reversibleArrheniusReaction;
reaction "CH + H = C + H2";
A 1.1e+11;
beta 0;
Ta 0;
}
un-named-reaction-45
{
type reversibleArrheniusReaction;
reaction "CH + O = CO + H";
A 5.7e+10;
beta 0;
Ta 0;
}
un-named-reaction-46
{
type reversibleArrheniusReaction;
reaction "CH + OH = HCO + H";
A 3e+10;
beta 0;
Ta 0;
}
un-named-reaction-47
{
type reversibleArrheniusReaction;
reaction "CH + H2 = CH2 + H";
A 110700;
beta 1.79;
Ta 840.329;
}
un-named-reaction-48
{
type reversibleArrheniusReaction;
reaction "CH + H2O = CH2O + H";
A 5.71e+09;
beta 0;
Ta -379.909;
}
un-named-reaction-49
{
type reversibleArrheniusReaction;
reaction "CH + O2 = HCO + O";
A 3.3e+10;
beta 0;
Ta 0;
}
un-named-reaction-50
{
type reversibleArrheniusTroeFallOffReaction;
reaction "CH + CO = HCCO";
k0
{
A 2.69e+22;
beta -3.74;
Ta 974.178;
}
kInf
{
A 5e+10;
beta 0;
Ta 0;
}
F
{
alpha 0.5757;
Tsss 237;
Ts 1652;
Tss 5069;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-51
{
type reversibleArrheniusReaction;
reaction "CH + CO2 = HCO + CO";
A 3.4e+09;
beta 0;
Ta 347.202;
}
un-named-reaction-52
{
type reversibleArrheniusTroeFallOffReaction;
reaction "HCO + H = CH2O";
k0
{
A 1.35e+18;
beta -2.57;
Ta 717.048;
}
kInf
{
A 1.09e+09;
beta 0.48;
Ta -130.83;
}
F
{
alpha 0.7824;
Tsss 271;
Ts 2755;
Tss 6570;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-53
{
type reversibleArrheniusTroeFallOffReaction;
reaction "CH2 + H = CH3";
k0
{
A 3.2e+21;
beta -3.14;
Ta 618.925;
}
kInf
{
A 2.5e+13;
beta -0.8;
Ta 0;
}
F
{
alpha 0.68;
Tsss 78;
Ts 1995;
Tss 5590;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-54
{
type reversibleArrheniusReaction;
reaction "CH2 + O = HCO + H";
A 8e+10;
beta 0;
Ta 0;
}
un-named-reaction-55
{
type reversibleArrheniusReaction;
reaction "CH2 + OH = CH2O + H";
A 2e+10;
beta 0;
Ta 0;
}
un-named-reaction-56
{
type reversibleArrheniusReaction;
reaction "CH2 + OH = CH + H2O";
A 11300;
beta 2;
Ta 1509.57;
}
un-named-reaction-57
{
type reversibleArrheniusReaction;
reaction "CH2 + H2 = H + CH3";
A 500;
beta 2;
Ta 3638.07;
}
un-named-reaction-58
{
type reversibleArrheniusReaction;
reaction "CH2 + O2 = HCO + OH";
A 1.06e+10;
beta 0;
Ta 754.787;
}
un-named-reaction-59
{
type reversibleArrheniusReaction;
reaction "CH2 + O2 = CO2 + H + H";
A 2.64e+09;
beta 0;
Ta 754.787;
}
un-named-reaction-60
{
type reversibleArrheniusReaction;
reaction "CH2 + HO2 = CH2O + OH";
A 2e+10;
beta 0;
Ta 0;
}
un-named-reaction-61
{
type reversibleArrheniusReaction;
reaction "CH2 + C = C2H + H";
A 5e+10;
beta 0;
Ta 0;
}
un-named-reaction-62
{
type reversibleArrheniusTroeFallOffReaction;
reaction "CH2 + CO = CH2CO";
k0
{
A 2.69e+27;
beta -5.11;
Ta 3570.14;
}
kInf
{
A 8.1e+08;
beta 0.5;
Ta 2269.39;
}
F
{
alpha 0.5907;
Tsss 275;
Ts 1226;
Tss 5185;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-63
{
type reversibleArrheniusReaction;
reaction "CH2 + CH = C2H2 + H";
A 4e+10;
beta 0;
Ta 0;
}
un-named-reaction-64
{
type reversibleArrheniusReaction;
reaction "CH2 + CH2 = C2H2 + H2";
A 3.2e+10;
beta 0;
Ta 0;
}
un-named-reaction-65
{
type reversibleArrheniusReaction;
reaction "CH2* + N2 = CH2 + N2";
A 1.5e+10;
beta 0;
Ta 301.915;
}
un-named-reaction-66
{
type reversibleArrheniusReaction;
reaction "CH2* + AR = CH2 + AR";
A 9e+09;
beta 0;
Ta 301.915;
}
un-named-reaction-67
{
type reversibleArrheniusReaction;
reaction "CH2* + H = CH + H2";
A 3e+10;
beta 0;
Ta 0;
}
un-named-reaction-68
{
type reversibleArrheniusReaction;
reaction "CH2* + O = CO + H2";
A 1.5e+10;
beta 0;
Ta 0;
}
un-named-reaction-69
{
type reversibleArrheniusReaction;
reaction "CH2* + O = HCO + H";
A 1.5e+10;
beta 0;
Ta 0;
}
un-named-reaction-70
{
type reversibleArrheniusReaction;
reaction "CH2* + OH = CH2O + H";
A 3e+10;
beta 0;
Ta 0;
}
un-named-reaction-71
{
type reversibleArrheniusReaction;
reaction "CH2* + H2 = CH3 + H";
A 7e+10;
beta 0;
Ta 0;
}
un-named-reaction-72
{
type reversibleArrheniusReaction;
reaction "CH2* + O2 = H + OH + CO";
A 2.8e+10;
beta 0;
Ta 0;
}
un-named-reaction-73
{
type reversibleArrheniusReaction;
reaction "CH2* + O2 = CO + H2O";
A 1.2e+10;
beta 0;
Ta 0;
}
un-named-reaction-74
{
type reversibleArrheniusTroeFallOffReaction;
reaction "CH2* + H2O = CH3OH";
k0
{
A 2.7e+32;
beta -6.3;
Ta 1559.89;
}
kInf
{
A 2e+10;
beta 0;
Ta 0;
}
F
{
alpha 0.1507;
Tsss 134;
Ts 2383;
Tss 7265;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 1)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-75
{
type reversibleArrheniusReaction;
reaction "CH2* + H2O = CH2 + H2O";
A 3e+10;
beta 0;
Ta 0;
}
un-named-reaction-76
{
type reversibleArrheniusReaction;
reaction "CH2* + CO = CH2 + CO";
A 9e+09;
beta 0;
Ta 0;
}
un-named-reaction-77
{
type reversibleArrheniusReaction;
reaction "CH2* + CO2 = CH2 + CO2";
A 7e+09;
beta 0;
Ta 0;
}
un-named-reaction-78
{
type reversibleArrheniusReaction;
reaction "CH2* + CO2 = CH2O + CO";
A 1.4e+10;
beta 0;
Ta 0;
}
un-named-reaction-79
{
type reversibleArrheniusTroeFallOffReaction;
reaction "CH2O + H = CH2OH";
k0
{
A 1.27e+26;
beta -4.82;
Ta 3285.84;
}
kInf
{
A 5.4e+08;
beta 0.454;
Ta 1811.49;
}
F
{
alpha 0.7187;
Tsss 103;
Ts 1291;
Tss 4160;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 1)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-80
{
type reversibleArrheniusTroeFallOffReaction;
reaction "CH2O + H = CH3O";
k0
{
A 2.2e+24;
beta -4.8;
Ta 2797.74;
}
kInf
{
A 5.4e+08;
beta 0.454;
Ta 1308.3;
}
F
{
alpha 0.758;
Tsss 94;
Ts 1555;
Tss 4200;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 1)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-81
{
type reversibleArrheniusReaction;
reaction "CH2O + H = HCO + H2";
A 2.3e+07;
beta 1.05;
Ta 1647.95;
}
un-named-reaction-82
{
type reversibleArrheniusReaction;
reaction "CH2O + O = HCO + OH";
A 3.9e+10;
beta 0;
Ta 1781.3;
}
un-named-reaction-83
{
type reversibleArrheniusReaction;
reaction "CH2O + OH = HCO + H2O";
A 3.43e+06;
beta 1.18;
Ta -224.926;
}
un-named-reaction-84
{
type reversibleArrheniusReaction;
reaction "CH2O + O2 = HCO + HO2";
A 1e+11;
beta 0;
Ta 20127.6;
}
un-named-reaction-85
{
type reversibleArrheniusReaction;
reaction "CH2O + HO2 = HCO + H2O2";
A 1e+09;
beta 0;
Ta 4025.53;
}
un-named-reaction-86
{
type reversibleArrheniusReaction;
reaction "CH2O + CH = CH2CO + H";
A 9.46e+10;
beta 0;
Ta -259.143;
}
un-named-reaction-87
{
type reversibleArrheniusTroeFallOffReaction;
reaction "CH3 + H = CH4";
k0
{
A 2.477e+27;
beta -4.76;
Ta 1227.79;
}
kInf
{
A 1.27e+13;
beta -0.63;
Ta 192.722;
}
F
{
alpha 0.783;
Tsss 74;
Ts 2941;
Tss 6964;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-88
{
type reversibleArrheniusReaction;
reaction "CH3 + O = CH2O + H";
A 8.43e+10;
beta 0;
Ta 0;
}
un-named-reaction-89
{
type reversibleArrheniusTroeFallOffReaction;
reaction "CH3 + OH = CH3OH";
k0
{
A 2.7e+32;
beta -6.3;
Ta 1559.89;
}
kInf
{
A 6.3e+10;
beta 0;
Ta 0;
}
F
{
alpha 0.2105;
Tsss 83.5;
Ts 5398;
Tss 8370;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 1)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-90
{
type reversibleArrheniusReaction;
reaction "CH3 + OH = CH2 + H2O";
A 56000;
beta 1.6;
Ta 2727.3;
}
un-named-reaction-91
{
type reversibleArrheniusReaction;
reaction "CH3 + OH = CH2* + H2O";
A 2.501e+10;
beta 0;
Ta 0;
}
un-named-reaction-92
{
type reversibleArrheniusReaction;
reaction "CH3 + O2 = O + CH3O";
A 3.083e+10;
beta 0;
Ta 14491.9;
}
un-named-reaction-93
{
type reversibleArrheniusReaction;
reaction "CH3 + O2 = OH + CH2O";
A 3.6e+07;
beta 0;
Ta 4498.53;
}
un-named-reaction-94
{
type reversibleArrheniusReaction;
reaction "CH3 + HO2 = CH4 + O2";
A 1e+09;
beta 0;
Ta 0;
}
un-named-reaction-95
{
type reversibleArrheniusReaction;
reaction "CH3 + HO2 = CH3O + OH";
A 1.34e+10;
beta 0;
Ta 0;
}
un-named-reaction-96
{
type reversibleArrheniusReaction;
reaction "CH3 + H2O2 = CH4 + HO2";
A 24.5;
beta 2.47;
Ta 2606.53;
}
un-named-reaction-97
{
type reversibleArrheniusReaction;
reaction "CH3 + C = C2H2 + H";
A 5e+10;
beta 0;
Ta 0;
}
un-named-reaction-98
{
type reversibleArrheniusReaction;
reaction "CH3 + CH = C2H3 + H";
A 3e+10;
beta 0;
Ta 0;
}
un-named-reaction-99
{
type reversibleArrheniusReaction;
reaction "CH3 + HCO = CH4 + CO";
A 8.48e+09;
beta 0;
Ta 0;
}
un-named-reaction-100
{
type reversibleArrheniusReaction;
reaction "CH3 + CH2O = CH4 + HCO";
A 3.32;
beta 2.81;
Ta 2948.7;
}
un-named-reaction-101
{
type reversibleArrheniusReaction;
reaction "CH3 + CH2 = C2H4 + H";
A 4e+10;
beta 0;
Ta 0;
}
un-named-reaction-102
{
type reversibleArrheniusReaction;
reaction "CH3 + CH2* = C2H4 + H";
A 1.2e+10;
beta 0;
Ta -286.819;
}
un-named-reaction-103
{
type reversibleArrheniusTroeFallOffReaction;
reaction "CH3 + CH3 = C2H6";
k0
{
A 1.77e+44;
beta -9.67;
Ta 3129.85;
}
kInf
{
A 2.12e+13;
beta -0.97;
Ta 311.979;
}
F
{
alpha 0.5325;
Tsss 151;
Ts 1038;
Tss 4970;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-104
{
type reversibleArrheniusReaction;
reaction "CH3 + CH3 = H + C2H5";
A 4.99e+09;
beta 0.1;
Ta 5333.83;
}
un-named-reaction-105
{
type reversibleArrheniusReaction;
reaction "CH3 + HCCO = C2H4 + CO";
A 5e+10;
beta 0;
Ta 0;
}
un-named-reaction-106
{
type reversibleArrheniusReaction;
reaction "CH3 + C2H = C3H3 + H";
A 2.41e+10;
beta 0;
Ta 0;
}
un-named-reaction-107
{
type reversibleArrheniusTroeFallOffReaction;
reaction "CH3O + H = CH3OH";
k0
{
A 8.6e+22;
beta -4;
Ta 1522.15;
}
kInf
{
A 5e+10;
beta 0;
Ta 0;
}
F
{
alpha 0.8902;
Tsss 144;
Ts 2838;
Tss 45569;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 1)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-108
{
type reversibleArrheniusReaction;
reaction "CH3O + H = CH2OH + H";
A 3400;
beta 1.6;
Ta 0;
}
un-named-reaction-109
{
type reversibleArrheniusReaction;
reaction "CH3O + H = CH2O + H2";
A 2e+10;
beta 0;
Ta 0;
}
un-named-reaction-110
{
type reversibleArrheniusReaction;
reaction "CH3O + H = CH3 + OH";
A 3.2e+10;
beta 0;
Ta 0;
}
un-named-reaction-111
{
type reversibleArrheniusReaction;
reaction "CH3O + H = CH2* + H2O";
A 1.6e+10;
beta 0;
Ta 0;
}
un-named-reaction-112
{
type reversibleArrheniusReaction;
reaction "CH3O + O = CH2O + OH";
A 1e+10;
beta 0;
Ta 0;
}
un-named-reaction-113
{
type reversibleArrheniusReaction;
reaction "CH3O + OH = CH2O + H2O";
A 5e+09;
beta 0;
Ta 0;
}
un-named-reaction-114
{
type reversibleArrheniusReaction;
reaction "CH3O + O2 = CH2O + HO2";
A 4.28e-16;
beta 7.6;
Ta -1776.27;
}
un-named-reaction-115
{
type reversibleArrheniusTroeFallOffReaction;
reaction "CH2OH + H = CH3OH";
k0
{
A 3e+25;
beta -4.8;
Ta 1660.53;
}
kInf
{
A 1.8e+10;
beta 0;
Ta 0;
}
F
{
alpha 0.7679;
Tsss 338;
Ts 1812;
Tss 5081;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 1)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-116
{
type reversibleArrheniusReaction;
reaction "CH2OH + H = CH2O + H2";
A 2e+10;
beta 0;
Ta 0;
}
un-named-reaction-117
{
type reversibleArrheniusReaction;
reaction "CH2OH + H = CH3 + OH";
A 1.2e+10;
beta 0;
Ta 0;
}
un-named-reaction-118
{
type reversibleArrheniusReaction;
reaction "CH2OH + H = CH2* + H2O";
A 6e+09;
beta 0;
Ta 0;
}
un-named-reaction-119
{
type reversibleArrheniusReaction;
reaction "CH2OH + O = CH2O + OH";
A 1e+10;
beta 0;
Ta 0;
}
un-named-reaction-120
{
type reversibleArrheniusReaction;
reaction "CH2OH + OH = CH2O + H2O";
A 5e+09;
beta 0;
Ta 0;
}
un-named-reaction-121
{
type reversibleArrheniusReaction;
reaction "CH2OH + O2 = CH2O + HO2";
A 1.8e+10;
beta 0;
Ta 452.872;
}
un-named-reaction-122
{
type reversibleArrheniusReaction;
reaction "CH4 + H = CH3 + H2";
A 660000;
beta 1.62;
Ta 5454.59;
}
un-named-reaction-123
{
type reversibleArrheniusReaction;
reaction "CH4 + O = CH3 + OH";
A 1.02e+06;
beta 1.5;
Ta 4327.44;
}
un-named-reaction-124
{
type reversibleArrheniusReaction;
reaction "CH4 + OH = CH3 + H2O";
A 100000;
beta 1.6;
Ta 1569.96;
}
un-named-reaction-125
{
type reversibleArrheniusReaction;
reaction "CH4 + CH = C2H4 + H";
A 6e+10;
beta 0;
Ta 0;
}
un-named-reaction-126
{
type reversibleArrheniusReaction;
reaction "CH4 + CH2 = CH3 + CH3";
A 2460;
beta 2;
Ta 4161.39;
}
un-named-reaction-127
{
type reversibleArrheniusReaction;
reaction "CH4 + CH2* = CH3 + CH3";
A 1.6e+10;
beta 0;
Ta -286.819;
}
un-named-reaction-128
{
type reversibleArrheniusReaction;
reaction "CH4 + C2H = C2H2 + CH3";
A 1.81e+09;
beta 0;
Ta 251.596;
}
un-named-reaction-129
{
type reversibleArrheniusReaction;
reaction "CH3OH + H = CH2OH + H2";
A 17000;
beta 2.1;
Ta 2450.54;
}
un-named-reaction-130
{
type reversibleArrheniusReaction;
reaction "CH3OH + H = CH3O + H2";
A 4200;
beta 2.1;
Ta 2450.54;
}
un-named-reaction-131
{
type reversibleArrheniusReaction;
reaction "CH3OH + O = CH2OH + OH";
A 388;
beta 2.5;
Ta 1559.89;
}
un-named-reaction-132
{
type reversibleArrheniusReaction;
reaction "CH3OH + O = CH3O + OH";
A 130;
beta 2.5;
Ta 2515.96;
}
un-named-reaction-133
{
type reversibleArrheniusReaction;
reaction "CH3OH + OH = CH2OH + H2O";
A 1440;
beta 2;
Ta -422.681;
}
un-named-reaction-134
{
type reversibleArrheniusReaction;
reaction "CH3OH + OH = CH3O + H2O";
A 6300;
beta 2;
Ta 754.787;
}
un-named-reaction-135
{
type reversibleArrheniusReaction;
reaction "CH3OH + CH3 = CH2OH + CH4";
A 30000;
beta 1.5;
Ta 5001.72;
}
un-named-reaction-136
{
type reversibleArrheniusReaction;
reaction "CH3OH + CH3 = CH3O + CH4";
A 10000;
beta 1.5;
Ta 5001.72;
}
un-named-reaction-137
{
type reversibleArrheniusTroeFallOffReaction;
reaction "C2H + H = C2H2";
k0
{
A 3.75e+27;
beta -4.8;
Ta 956.063;
}
kInf
{
A 1e+14;
beta -1;
Ta 0;
}
F
{
alpha 0.6464;
Tsss 132;
Ts 1315;
Tss 5566;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-138
{
type reversibleArrheniusReaction;
reaction "C2H + O = CH + CO";
A 5e+10;
beta 0;
Ta 0;
}
un-named-reaction-139
{
type reversibleArrheniusReaction;
reaction "C2H + OH = H + HCCO";
A 2e+10;
beta 0;
Ta 0;
}
un-named-reaction-140
{
type reversibleArrheniusReaction;
reaction "C2H + O2 = HCO + CO";
A 5e+10;
beta 0;
Ta 754.787;
}
un-named-reaction-141
{
type reversibleArrheniusReaction;
reaction "C2H + H2 = H + C2H2";
A 490;
beta 2.5;
Ta 281.787;
}
un-named-reaction-142
{
type reversibleArrheniusReaction;
reaction "C2O + H = CH + CO";
A 5e+10;
beta 0;
Ta 0;
}
un-named-reaction-143
{
type reversibleArrheniusReaction;
reaction "C2O + O = CO + CO";
A 5e+10;
beta 0;
Ta 0;
}
un-named-reaction-144
{
type reversibleArrheniusReaction;
reaction "C2O + OH = CO + CO + H";
A 2e+10;
beta 0;
Ta 0;
}
un-named-reaction-145
{
type reversibleArrheniusReaction;
reaction "C2O + O2 = CO + CO + O";
A 2e+10;
beta 0;
Ta 0;
}
un-named-reaction-146
{
type reversibleArrheniusReaction;
reaction "HCCO + H = CH2* + CO";
A 1e+11;
beta 0;
Ta 0;
}
un-named-reaction-147
{
type reversibleArrheniusReaction;
reaction "HCCO + O = H + CO + CO";
A 1e+11;
beta 0;
Ta 0;
}
un-named-reaction-148
{
type reversibleArrheniusReaction;
reaction "HCCO + O2 = OH + 2CO";
A 1.6e+09;
beta 0;
Ta 429.725;
}
un-named-reaction-149
{
type reversibleArrheniusReaction;
reaction "HCCO + CH = C2H2 + CO";
A 5e+10;
beta 0;
Ta 0;
}
un-named-reaction-150
{
type reversibleArrheniusReaction;
reaction "HCCO + CH2 = C2H3 + CO";
A 3e+10;
beta 0;
Ta 0;
}
un-named-reaction-151
{
type reversibleArrheniusReaction;
reaction "HCCO + HCCO = C2H2 + CO + CO";
A 1e+10;
beta 0;
Ta 0;
}
un-named-reaction-152
{
type reversibleArrheniusReaction;
reaction "HCCO + OH = C2O + H2O";
A 3e+10;
beta 0;
Ta 0;
}
un-named-reaction-153
{
type reversibleArrheniusLindemannFallOffReaction;
reaction "C2H2 = H2CC";
k0
{
A 2.45e+12;
beta -0.64;
Ta 25008.6;
}
kInf
{
A 8e+14;
beta -0.52;
Ta 25537;
}
F
{
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 1)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 2.5)
(H2CC 1)
(C2H3 1)
(C2H4 2.5)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-154
{
type reversibleArrheniusTroeFallOffReaction;
reaction "C2H3 = C2H2 + H";
k0
{
A 2.565e+24;
beta -3.4;
Ta 18013.6;
}
kInf
{
A 3.86e+08;
beta 1.62;
Ta 18642.3;
}
F
{
alpha 1.9816;
Tsss 5383.7;
Ts 4.2932;
Tss -0.0795;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 3)
(H2CC 1)
(C2H3 1)
(C2H4 3)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-155
{
type reversibleArrheniusReaction;
reaction "C2H2 + O = C2H + OH";
A 4.6e+16;
beta -1.41;
Ta 14567.4;
}
un-named-reaction-156
{
type reversibleArrheniusReaction;
reaction "C2H2 + O = CH2 + CO";
A 4080;
beta 2;
Ta 956.063;
}
un-named-reaction-157
{
type reversibleArrheniusReaction;
reaction "C2H2 + O = HCCO + H";
A 16320;
beta 2;
Ta 956.063;
}
un-named-reaction-158
{
type reversibleArrheniusReaction;
reaction "C2H2 + OH = CH2CO + H";
A 2.18e-07;
beta 4.5;
Ta -503.191;
}
un-named-reaction-159
{
type reversibleArrheniusReaction;
reaction "C2H2 + OH = HCCOH + H";
A 504;
beta 2.3;
Ta 6793.08;
}
un-named-reaction-160
{
type reversibleArrheniusReaction;
reaction "C2H2 + OH = C2H + H2O";
A 33700;
beta 2;
Ta 7044.68;
}
un-named-reaction-161
{
type reversibleArrheniusReaction;
reaction "C2H2 + OH = CH3 + CO";
A 4.83e-07;
beta 4;
Ta -1006.38;
}
un-named-reaction-162
{
type reversibleArrheniusReaction;
reaction "C2H2 + HCO = C2H3 + CO";
A 10000;
beta 2;
Ta 3019.15;
}
un-named-reaction-163
{
type reversibleArrheniusReaction;
reaction "C2H2 + CH2 = C3H3 + H";
A 1.2e+10;
beta 0;
Ta 3331.13;
}
un-named-reaction-164
{
type reversibleArrheniusReaction;
reaction "C2H2 + CH2* = C3H3 + H";
A 2e+10;
beta 0;
Ta 0;
}
un-named-reaction-165
{
type reversibleArrheniusReaction;
reaction "C2H2 + C2H = C4H2 + H";
A 9.6e+10;
beta 0;
Ta 0;
}
un-named-reaction-166
{
type reversibleArrheniusTroeFallOffReaction;
reaction "C2H2 + C2H = nC4H3";
k0
{
A 1.24e+25;
beta -4.718;
Ta 941.471;
}
kInf
{
A 8.3e+07;
beta 0.899;
Ta -182.658;
}
F
{
alpha 1;
Tsss 100;
Ts 5613;
Tss 13387;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 1)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 2.5)
(H2CC 1)
(C2H3 1)
(C2H4 2.5)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-167
{
type reversibleArrheniusTroeFallOffReaction;
reaction "C2H2 + C2H = iC4H3";
k0
{
A 1.24e+25;
beta -4.718;
Ta 941.471;
}
kInf
{
A 8.3e+07;
beta 0.899;
Ta -182.658;
}
F
{
alpha 1;
Tsss 100;
Ts 5613;
Tss 13387;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 1)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 2.5)
(H2CC 1)
(C2H3 1)
(C2H4 2.5)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-168
{
type reversibleArrheniusReaction;
reaction "C2H2 + HCCO = C3H3 + CO";
A 1e+08;
beta 0;
Ta 1509.57;
}
un-named-reaction-169
{
type reversibleArrheniusReaction;
reaction "C2H2 + CH3 = pC3H4 + H";
A 2.56e+06;
beta 1.1;
Ta 6865.54;
}
un-named-reaction-170
{
type reversibleArrheniusReaction;
reaction "C2H2 + CH3 = aC3H4 + H";
A 5.14e+06;
beta 0.86;
Ta 11147.2;
}
un-named-reaction-171
{
type reversibleArrheniusReaction;
reaction "C2H2 + CH3 = CH3CCH2";
A 4.99e+19;
beta -4.39;
Ta 9485.15;
}
un-named-reaction-172
{
type reversibleArrheniusReaction;
reaction "C2H2 + CH3 = CH3CHCH";
A 3.2e+32;
beta -7.76;
Ta 6692.44;
}
un-named-reaction-173
{
type reversibleArrheniusReaction;
reaction "C2H2 + CH3 = aC3H5";
A 2.68e+50;
beta -12.82;
Ta 17979;
}
un-named-reaction-174
{
type reversibleArrheniusReaction;
reaction "H2CC + H = C2H2 + H";
A 1e+11;
beta 0;
Ta 0;
}
un-named-reaction-175
{
type reversibleArrheniusReaction;
reaction "H2CC + OH = CH2CO + H";
A 2e+10;
beta 0;
Ta 0;
}
un-named-reaction-176
{
type reversibleArrheniusReaction;
reaction "H2CC + O2 = HCO + HCO";
A 1e+10;
beta 0;
Ta 0;
}
un-named-reaction-177
{
type reversibleArrheniusTroeFallOffReaction;
reaction "H2CC + C2H2 = C4H4";
k0
{
A 1.4e+54;
beta -12.599;
Ta 3732.17;
}
kInf
{
A 350;
beta 2.055;
Ta -1207.66;
}
F
{
alpha 0.98;
Tsss 56;
Ts 580;
Tss 4164;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 1)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 3)
(H2CC 1)
(C2H3 1)
(C2H4 3)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-178
{
type reversibleArrheniusReaction;
reaction "H2CC + C2H4 = C4H6";
A 1e+09;
beta 0;
Ta 0;
}
un-named-reaction-179
{
type reversibleArrheniusTroeFallOffReaction;
reaction "CH2CO + H = CH2CHO";
k0
{
A 3.8e+35;
beta -7.64;
Ta 5987.98;
}
kInf
{
A 3.3e+11;
beta -0.06;
Ta 4277.13;
}
F
{
alpha 0.337;
Tsss 1707;
Ts 3200;
Tss 4131;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 3)
(H2CC 1)
(C2H3 1)
(C2H4 3)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-180
{
type reversibleArrheniusReaction;
reaction "CH2CO + H = HCCO + H2";
A 5e+10;
beta 0;
Ta 4025.53;
}
un-named-reaction-181
{
type reversibleArrheniusReaction;
reaction "CH2CO + H = CH3 + CO";
A 1.5e+06;
beta 1.43;
Ta 1353.58;
}
un-named-reaction-182
{
type reversibleArrheniusReaction;
reaction "CH2CO + O = HCCO + OH";
A 1e+10;
beta 0;
Ta 4025.53;
}
un-named-reaction-183
{
type reversibleArrheniusReaction;
reaction "CH2CO + O = CH2 + CO2";
A 1.75e+09;
beta 0;
Ta 679.308;
}
un-named-reaction-184
{
type reversibleArrheniusReaction;
reaction "CH2CO + OH = HCCO + H2O";
A 7.5e+09;
beta 0;
Ta 1006.38;
}
un-named-reaction-185
{
type reversibleArrheniusReaction;
reaction "HCCOH + H = CH2CO + H";
A 1e+10;
beta 0;
Ta 0;
}
un-named-reaction-186
{
type reversibleArrheniusTroeFallOffReaction;
reaction "C2H3 + H = C2H4";
k0
{
A 1.4e+24;
beta -3.86;
Ta 1670.59;
}
kInf
{
A 6.08e+09;
beta 0.27;
Ta 140.894;
}
F
{
alpha 0.782;
Tsss 207.5;
Ts 2663;
Tss 6095;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 3)
(H2CC 1)
(C2H3 1)
(C2H4 3)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-187
{
type reversibleArrheniusReaction;
reaction "C2H3 + H = C2H2 + H2";
A 9e+10;
beta 0;
Ta 0;
}
un-named-reaction-188
{
type reversibleArrheniusReaction;
reaction "C2H3 + H = H2CC + H2";
A 6e+10;
beta 0;
Ta 0;
}
un-named-reaction-189
{
type reversibleArrheniusReaction;
reaction "C2H3 + O = CH2CO + H";
A 4.8e+10;
beta 0;
Ta 0;
}
un-named-reaction-190
{
type reversibleArrheniusReaction;
reaction "C2H3 + O = CH3 + CO";
A 4.8e+10;
beta 0;
Ta 0;
}
un-named-reaction-191
{
type reversibleArrheniusReaction;
reaction "C2H3 + OH = C2H2 + H2O";
A 3.011e+10;
beta 0;
Ta 0;
}
un-named-reaction-192
{
type reversibleArrheniusReaction;
reaction "C2H3 + O2 = C2H2 + HO2";
A 1340;
beta 1.61;
Ta -192.924;
}
un-named-reaction-193
{
type reversibleArrheniusReaction;
reaction "C2H3 + O2 = CH2CHO + O";
A 3e+08;
beta 0.29;
Ta 5.5351;
}
un-named-reaction-194
{
type reversibleArrheniusReaction;
reaction "C2H3 + O2 = HCO + CH2O";
A 4.6e+13;
beta -1.39;
Ta 508.223;
}
un-named-reaction-195
{
type reversibleArrheniusReaction;
reaction "C2H3 + HO2 = CH2CHO + OH";
A 1e+10;
beta 0;
Ta 0;
}
un-named-reaction-196
{
type reversibleArrheniusReaction;
reaction "C2H3 + H2O2 = C2H4 + HO2";
A 1.21e+07;
beta 0;
Ta -299.902;
}
un-named-reaction-197
{
type reversibleArrheniusReaction;
reaction "C2H3 + HCO = C2H4 + CO";
A 9.033e+10;
beta 0;
Ta 0;
}
un-named-reaction-198
{
type reversibleArrheniusReaction;
reaction "C2H3 + HCO = C2H3CHO";
A 1.8e+10;
beta 0;
Ta 0;
}
un-named-reaction-199
{
type reversibleArrheniusReaction;
reaction "C2H3 + CH3 = C2H2 + CH4";
A 3.92e+08;
beta 0;
Ta 0;
}
un-named-reaction-200
{
type reversibleArrheniusTroeFallOffReaction;
reaction "C2H3 + CH3 = C3H6";
k0
{
A 4.27e+52;
beta -11.94;
Ta 4916.08;
}
kInf
{
A 2.5e+10;
beta 0;
Ta 0;
}
F
{
alpha 0.175;
Tsss 1340.6;
Ts 60000;
Tss 10139.8;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 3)
(H2CC 1)
(C2H3 1)
(C2H4 3)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-201
{
type reversibleArrheniusReaction;
reaction "C2H3 + CH3 = aC3H5 + H";
A 1.5e+21;
beta -2.83;
Ta 9368.41;
}
un-named-reaction-202
{
type reversibleArrheniusReaction;
reaction "C2H3 + C2H2 = C4H4 + H";
A 2e+15;
beta -1.68;
Ta 5333.83;
}
un-named-reaction-203
{
type reversibleArrheniusReaction;
reaction "C2H3 + C2H2 = nC4H5";
A 9.3e+35;
beta -8.76;
Ta 6038.29;
}
un-named-reaction-204
{
type reversibleArrheniusReaction;
reaction "C2H3 + C2H2 = iC4H5";
A 1.6e+43;
beta -10.98;
Ta 9359.36;
}
un-named-reaction-205
{
type reversibleArrheniusReaction;
reaction "C2H3 + C2H3 = C4H6";
A 1.5e+39;
beta -8.84;
Ta 6281.34;
}
un-named-reaction-206
{
type reversibleArrheniusReaction;
reaction "C2H3 + C2H3 = iC4H5 + H";
A 1.2e+19;
beta -2.44;
Ta 6870.57;
}
un-named-reaction-207
{
type reversibleArrheniusReaction;
reaction "C2H3 + C2H3 = nC4H5 + H";
A 2.4e+17;
beta -2.04;
Ta 7729.52;
}
un-named-reaction-208
{
type reversibleArrheniusReaction;
reaction "C2H3 + C2H3 = C2H2 + C2H4";
A 9.6e+08;
beta 0;
Ta 0;
}
un-named-reaction-209
{
type reversibleArrheniusReaction;
reaction "CH2CHO = CH3 + CO";
A 7.8e+41;
beta -9.147;
Ta 23599.7;
}
un-named-reaction-210
{
type reversibleArrheniusTroeFallOffReaction;
reaction "CH2CHO + H = CH3CHO";
k0
{
A 5.2e+33;
beta -7.297;
Ta 2365;
}
kInf
{
A 1e+11;
beta 0;
Ta 0;
}
F
{
alpha 0.55;
Tsss 8900;
Ts 4350;
Tss 7244;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 1)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 3)
(H2CC 1)
(C2H3 1)
(C2H4 3)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-211
{
type reversibleArrheniusReaction;
reaction "CH2CHO + H = CH3CO + H";
A 5e+09;
beta 0;
Ta 0;
}
un-named-reaction-212
{
type reversibleArrheniusReaction;
reaction "CH2CHO + H = CH3 + HCO";
A 9e+10;
beta 0;
Ta 0;
}
un-named-reaction-213
{
type reversibleArrheniusReaction;
reaction "CH2CHO + H = CH2CO + H2";
A 2e+10;
beta 0;
Ta 2012.76;
}
un-named-reaction-214
{
type reversibleArrheniusReaction;
reaction "CH2CHO + O = CH2CO + OH";
A 2e+10;
beta 0;
Ta 2012.76;
}
un-named-reaction-215
{
type reversibleArrheniusReaction;
reaction "CH2CHO + OH = CH2CO + H2O";
A 1e+10;
beta 0;
Ta 1006.38;
}
un-named-reaction-216
{
type reversibleArrheniusReaction;
reaction "CH2CHO + O2 = CH2CO + HO2";
A 1.4e+08;
beta 0;
Ta 0;
}
un-named-reaction-217
{
type reversibleArrheniusReaction;
reaction "CH2CHO + O2 = CH2O + CO + OH";
A 1.8e+07;
beta 0;
Ta 0;
}
un-named-reaction-218
{
type reversibleArrheniusTroeFallOffReaction;
reaction "CH3 + CO = CH3CO";
k0
{
A 7.8e+24;
beta -5.395;
Ta 4327.44;
}
kInf
{
A 48500;
beta 1.65;
Ta 3094.63;
}
F
{
alpha 0.258;
Tsss 598;
Ts 21002;
Tss 1773;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 3)
(H2CC 1)
(C2H3 1)
(C2H4 3)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-219
{
type reversibleArrheniusTroeFallOffReaction;
reaction "CH3CO + H = CH3CHO";
k0
{
A 3.85e+38;
beta -8.569;
Ta 2767.55;
}
kInf
{
A 9.6e+10;
beta 0;
Ta 0;
}
F
{
alpha 1;
Tsss 2900;
Ts 2900;
Tss 5132;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 1)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 3)
(H2CC 1)
(C2H3 1)
(C2H4 3)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-220
{
type reversibleArrheniusReaction;
reaction "CH3CO + H = CH3 + HCO";
A 9.6e+10;
beta 0;
Ta 0;
}
un-named-reaction-221
{
type reversibleArrheniusReaction;
reaction "CH3CO + O = CH2CO + OH";
A 3.9e+10;
beta 0;
Ta 0;
}
un-named-reaction-222
{
type reversibleArrheniusReaction;
reaction "CH3CO + O = CH3 + CO2";
A 1.5e+11;
beta 0;
Ta 0;
}
un-named-reaction-223
{
type reversibleArrheniusReaction;
reaction "CH3CO + OH = CH2CO + H2O";
A 1.2e+10;
beta 0;
Ta 0;
}
un-named-reaction-224
{
type reversibleArrheniusReaction;
reaction "CH3CO + OH = CH3 + CO + OH";
A 3e+10;
beta 0;
Ta 0;
}
un-named-reaction-225
{
type reversibleArrheniusReaction;
reaction "CH3CO + HO2 = CH3 + CO2 + OH";
A 3e+10;
beta 0;
Ta 0;
}
un-named-reaction-226
{
type reversibleArrheniusReaction;
reaction "CH3CO + H2O2 = CH3CHO + HO2";
A 1.8e+08;
beta 0;
Ta 4139.25;
}
un-named-reaction-227
{
type reversibleArrheniusTroeFallOffReaction;
reaction "CH3 + HCO = CH3CHO";
k0
{
A 2.2e+42;
beta -9.588;
Ta 2566.28;
}
kInf
{
A 1.8e+10;
beta 0;
Ta 0;
}
F
{
alpha 0.6173;
Tsss 13.076;
Ts 2078;
Tss 5093;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 1)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 3)
(H2CC 1)
(C2H3 1)
(C2H4 3)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-228
{
type reversibleArrheniusReaction;
reaction "CH3CHO + H = CH3CO + H2";
A 4.1e+06;
beta 1.16;
Ta 1207.66;
}
un-named-reaction-229
{
type reversibleArrheniusReaction;
reaction "CH3CHO + H = CH4 + HCO";
A 5e+07;
beta 0;
Ta 0;
}
un-named-reaction-230
{
type reversibleArrheniusReaction;
reaction "CH3CHO + O = CH3CO + OH";
A 5.8e+09;
beta 0;
Ta 905.744;
}
un-named-reaction-231
{
type reversibleArrheniusReaction;
reaction "CH3CHO + OH = CH3CO + H2O";
A 2.35e+07;
beta 0.73;
Ta -558.542;
}
un-named-reaction-232
{
type reversibleArrheniusReaction;
reaction "CH3CHO + CH3 = CH3CO + CH4";
A 2e-09;
beta 5.6;
Ta 1237.85;
}
un-named-reaction-233
{
type reversibleArrheniusReaction;
reaction "CH3CHO + HCO = CO + HCO + CH4";
A 8e+09;
beta 0;
Ta 5233.19;
}
un-named-reaction-234
{
type reversibleArrheniusReaction;
reaction "CH3CHO + O2 = CH3CO + HO2";
A 3e+10;
beta 0;
Ta 19674.8;
}
un-named-reaction-235
{
type reversibleArrheniusReaction;
reaction "CH2OCH2 = CH3 + HCO";
A 3.63e+13;
beta 0;
Ta 28782.5;
}
un-named-reaction-236
{
type reversibleArrheniusReaction;
reaction "CH2OCH2 = CH3CHO";
A 7.26e+13;
beta 0;
Ta 28782.5;
}
un-named-reaction-237
{
type reversibleArrheniusReaction;
reaction "CH2OCH2 = CH4 + CO";
A 1.21e+13;
beta 0;
Ta 28782.5;
}
un-named-reaction-238
{
type reversibleArrheniusReaction;
reaction "CH2OCH2 + H = CH2OCH + H2";
A 2e+10;
beta 0;
Ta 4176.49;
}
un-named-reaction-239
{
type reversibleArrheniusReaction;
reaction "CH2OCH2 + H = C2H3 + H2O";
A 5e+06;
beta 0;
Ta 2515.96;
}
un-named-reaction-240
{
type reversibleArrheniusReaction;
reaction "CH2OCH2 + H = C2H4 + OH";
A 9.51e+07;
beta 0;
Ta 2515.96;
}
un-named-reaction-241
{
type reversibleArrheniusReaction;
reaction "CH2OCH2 + O = CH2OCH + OH";
A 1.91e+09;
beta 0;
Ta 2641.75;
}
un-named-reaction-242
{
type reversibleArrheniusReaction;
reaction "CH2OCH2 + OH = CH2OCH + H2O";
A 1.78e+10;
beta 0;
Ta 1816.52;
}
un-named-reaction-243
{
type reversibleArrheniusReaction;
reaction "CH2OCH2 + CH3 = CH2OCH + CH4";
A 1.07e+09;
beta 0;
Ta 5952.75;
}
un-named-reaction-244
{
type reversiblethirdBodyArrheniusReaction;
reaction "CH2OCH = CH3 + CO";
A 3.16e+11;
beta 0;
Ta 6038.29;
coeffs
111
(
(AR 1)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 1)
(H2O 1)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 1)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1)
(CO2 1)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 1)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
un-named-reaction-245
{
type reversiblethirdBodyArrheniusReaction;
reaction "CH2OCH = CH2CHO";
A 5e+06;
beta 0;
Ta 0;
coeffs
111
(
(AR 1)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 1)
(H2O 1)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 1)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1)
(CO2 1)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 1)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
un-named-reaction-246
{
type reversiblethirdBodyArrheniusReaction;
reaction "CH2OCH = CH2CO + H";
A 3e+10;
beta 0;
Ta 4025.53;
coeffs
111
(
(AR 1)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 1)
(H2O 1)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 1)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1)
(CO2 1)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 1)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
un-named-reaction-247
{
type reversibleArrheniusTroeFallOffReaction;
reaction "C2H4 = H2 + H2CC";
k0
{
A 7e+47;
beta -9.31;
Ta 50248.7;
}
kInf
{
A 8e+12;
beta 0.44;
Ta 44668.3;
}
F
{
alpha 0.7345;
Tsss 180;
Ts 1035;
Tss 5417;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-248
{
type reversibleArrheniusTroeFallOffReaction;
reaction "C2H4 + H = C2H5";
k0
{
A 2.027e+33;
beta -6.642;
Ta 2902.91;
}
kInf
{
A 1.367e+06;
beta 1.463;
Ta 681.824;
}
F
{
alpha -0.569;
Tsss 299;
Ts 9147;
Tss -152.4;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-249
{
type reversibleArrheniusReaction;
reaction "C2H4 + H = C2H3 + H2";
A 50700;
beta 1.9;
Ta 6516.33;
}
un-named-reaction-250
{
type reversibleArrheniusReaction;
reaction "C2H4 + O = C2H3 + OH";
A 15100;
beta 1.9;
Ta 1881.94;
}
un-named-reaction-251
{
type reversibleArrheniusReaction;
reaction "C2H4 + O = CH3 + HCO";
A 19200;
beta 1.83;
Ta 110.702;
}
un-named-reaction-252
{
type reversibleArrheniusReaction;
reaction "C2H4 + O = CH2 + CH2O";
A 384;
beta 1.83;
Ta 110.702;
}
un-named-reaction-253
{
type reversibleArrheniusReaction;
reaction "C2H4 + OH = C2H3 + H2O";
A 3600;
beta 2;
Ta 1257.98;
}
un-named-reaction-254
{
type reversibleArrheniusReaction;
reaction "C2H4 + HCO = C2H5 + CO";
A 10000;
beta 2;
Ta 4025.53;
}
un-named-reaction-255
{
type reversibleArrheniusReaction;
reaction "C2H4 + CH = aC3H4 + H";
A 3e+10;
beta 0;
Ta 0;
}
un-named-reaction-256
{
type reversibleArrheniusReaction;
reaction "C2H4 + CH = pC3H4 + H";
A 3e+10;
beta 0;
Ta 0;
}
un-named-reaction-257
{
type reversibleArrheniusReaction;
reaction "C2H4 + CH2 = aC3H5 + H";
A 2e+10;
beta 0;
Ta 3019.15;
}
un-named-reaction-258
{
type reversibleArrheniusReaction;
reaction "C2H4 + CH2* = H2CC + CH4";
A 5e+10;
beta 0;
Ta 0;
}
un-named-reaction-259
{
type reversibleArrheniusReaction;
reaction "C2H4 + CH2* = aC3H5 + H";
A 5e+10;
beta 0;
Ta 0;
}
un-named-reaction-260
{
type reversibleArrheniusReaction;
reaction "C2H4 + CH3 = C2H3 + CH4";
A 227;
beta 2;
Ta 4629.36;
}
un-named-reaction-261
{
type reversibleArrheniusReaction;
reaction "C2H4 + CH3 = nC3H7";
A 3.3e+08;
beta 0;
Ta 3874.57;
}
un-named-reaction-262
{
type reversibleArrheniusReaction;
reaction "C2H4 + C2H = C4H4 + H";
A 1.2e+10;
beta 0;
Ta 0;
}
un-named-reaction-263
{
type reversibleArrheniusReaction;
reaction "C2H4 + O2 = C2H3 + HO2";
A 4.22e+10;
beta 0;
Ta 30594;
}
un-named-reaction-264
{
type reversibleArrheniusReaction;
reaction "C2H4 + C2H3 = C4H7";
A 7.93e+35;
beta -8.47;
Ta 7155.38;
}
un-named-reaction-265
{
type reversibleArrheniusReaction;
reaction "C2H4 + HO2 = CH2OCH2 + OH";
A 2.82e+09;
beta 0;
Ta 8604.57;
}
un-named-reaction-266
{
type reversibleArrheniusTroeFallOffReaction;
reaction "C2H5 + H = C2H6";
k0
{
A 1.99e+35;
beta -7.08;
Ta 3363.83;
}
kInf
{
A 5.21e+14;
beta -0.99;
Ta 795.042;
}
F
{
alpha 0.8422;
Tsss 125;
Ts 2219;
Tss 6882;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-267
{
type reversibleArrheniusReaction;
reaction "C2H5 + H = C2H4 + H2";
A 2e+09;
beta 0;
Ta 0;
}
un-named-reaction-268
{
type reversibleArrheniusReaction;
reaction "C2H5 + O = CH3 + CH2O";
A 1.604e+10;
beta 0;
Ta 0;
}
un-named-reaction-269
{
type reversibleArrheniusReaction;
reaction "C2H5 + O = CH3CHO + H";
A 8.02e+10;
beta 0;
Ta 0;
}
un-named-reaction-270
{
type reversibleArrheniusReaction;
reaction "C2H5 + O2 = C2H4 + HO2";
A 2e+07;
beta 0;
Ta 0;
}
un-named-reaction-271
{
type reversibleArrheniusReaction;
reaction "C2H5 + HO2 = C2H6 + O2";
A 3e+08;
beta 0;
Ta 0;
}
un-named-reaction-272
{
type reversibleArrheniusReaction;
reaction "C2H5 + HO2 = C2H4 + H2O2";
A 3e+08;
beta 0;
Ta 0;
}
un-named-reaction-273
{
type reversibleArrheniusReaction;
reaction "C2H5 + HO2 = CH3 + CH2O + OH";
A 2.4e+10;
beta 0;
Ta 0;
}
un-named-reaction-274
{
type reversibleArrheniusReaction;
reaction "C2H5 + H2O2 = C2H6 + HO2";
A 8.7e+06;
beta 0;
Ta 490.108;
}
un-named-reaction-275
{
type reversibleArrheniusTroeFallOffReaction;
reaction "C2H5 + CH3 = C3H8";
k0
{
A 6.8e+55;
beta -13.42;
Ta 3019.15;
}
kInf
{
A 4.9e+11;
beta -0.5;
Ta 0;
}
F
{
alpha 1;
Tsss 1000;
Ts 1433.9;
Tss 5328.8;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-276
{
type reversibleArrheniusTroeFallOffReaction;
reaction "C2H5 + C2H3 = C4H81";
k0
{
A 1.55e+50;
beta -11.79;
Ta 4520.92;
}
kInf
{
A 1.5e+10;
beta 0;
Ta 0;
}
F
{
alpha 0.198;
Tsss 2277.9;
Ts 60000;
Tss 5723.2;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-277
{
type reversibleArrheniusReaction;
reaction "C2H5 + C2H3 = aC3H5 + CH3";
A 3.9e+29;
beta -5.22;
Ta 9936.52;
}
un-named-reaction-278
{
type reversibleArrheniusReaction;
reaction "C2H6 + H = C2H5 + H2";
A 115000;
beta 1.9;
Ta 3789.03;
}
un-named-reaction-279
{
type reversibleArrheniusReaction;
reaction "C2H6 + O = C2H5 + OH";
A 89800;
beta 1.92;
Ta 2863.16;
}
un-named-reaction-280
{
type reversibleArrheniusReaction;
reaction "C2H6 + OH = C2H5 + H2O";
A 3540;
beta 2.12;
Ta 437.776;
}
un-named-reaction-281
{
type reversibleArrheniusReaction;
reaction "C2H6 + CH2* = C2H5 + CH3";
A 4e+10;
beta 0;
Ta -276.755;
}
un-named-reaction-282
{
type reversibleArrheniusReaction;
reaction "C2H6 + CH3 = C2H5 + CH4";
A 6140;
beta 1.74;
Ta 5258.35;
}
un-named-reaction-283
{
type reversibleArrheniusReaction;
reaction "C3H3 + H = pC3H4";
A 1.5e+10;
beta 0;
Ta 0;
}
un-named-reaction-284
{
type reversibleArrheniusReaction;
reaction "C3H3 + H = aC3H4";
A 2.5e+09;
beta 0;
Ta 0;
}
un-named-reaction-285
{
type reversibleArrheniusReaction;
reaction "C3H3 + O = CH2O + C2H";
A 2e+10;
beta 0;
Ta 0;
}
un-named-reaction-286
{
type reversibleArrheniusReaction;
reaction "C3H3 + O2 = CH2CO + HCO";
A 3e+07;
beta 0;
Ta 1443.15;
}
un-named-reaction-287
{
type reversibleArrheniusReaction;
reaction "C3H3 + HO2 = OH + CO + C2H3";
A 8e+08;
beta 0;
Ta 0;
}
un-named-reaction-288
{
type reversibleArrheniusReaction;
reaction "C3H3 + HO2 = aC3H4 + O2";
A 3e+08;
beta 0;
Ta 0;
}
un-named-reaction-289
{
type reversibleArrheniusReaction;
reaction "C3H3 + HO2 = pC3H4 + O2";
A 2.5e+09;
beta 0;
Ta 0;
}
un-named-reaction-290
{
type reversibleArrheniusReaction;
reaction "C3H3 + HCO = aC3H4 + CO";
A 2.5e+10;
beta 0;
Ta 0;
}
un-named-reaction-291
{
type reversibleArrheniusReaction;
reaction "C3H3 + HCO = pC3H4 + CO";
A 2.5e+10;
beta 0;
Ta 0;
}
un-named-reaction-292
{
type reversibleArrheniusReaction;
reaction "C3H3 + HCCO = C4H4 + CO";
A 2.5e+10;
beta 0;
Ta 0;
}
un-named-reaction-293
{
type reversibleArrheniusReaction;
reaction "C3H3 + CH = iC4H3 + H";
A 5e+10;
beta 0;
Ta 0;
}
un-named-reaction-294
{
type reversibleArrheniusReaction;
reaction "C3H3 + CH2 = C4H4 + H";
A 5e+10;
beta 0;
Ta 0;
}
un-named-reaction-295
{
type reversibleArrheniusTroeFallOffReaction;
reaction "C3H3 + CH3 = C4H612";
k0
{
A 2.6e+51;
beta -11.94;
Ta 4916.18;
}
kInf
{
A 1.5e+09;
beta 0;
Ta 0;
}
F
{
alpha 0.175;
Tsss 1340.6;
Ts 60000;
Tss 9769.8;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-296
{
type reversibleArrheniusReaction;
reaction "C3H3 + C2H2 = C5H5";
A 6.87e+52;
beta -12.5;
Ta 21146.6;
}
un-named-reaction-297
{
type irreversibleArrheniusReaction;
reaction "C3H3 + C3H3 = C6H5 + H";
A 5e+09;
beta 0;
Ta 0;
}
un-named-reaction-298
{
type irreversibleArrheniusReaction;
reaction "C3H3 + C3H3 = C6H6";
A 2e+09;
beta 0;
Ta 0;
}
un-named-reaction-299
{
type reversibleArrheniusReaction;
reaction "C3H3 + C4H4 = C6H5CH2";
A 653;
beta 1.28;
Ta -2320.21;
}
un-named-reaction-300
{
type reversibleArrheniusReaction;
reaction "C3H3 + C4H6 = C6H5CH3 + H";
A 653;
beta 1.28;
Ta -2320.21;
}
un-named-reaction-301
{
type reversibleArrheniusReaction;
reaction "aC3H4 + H = C3H3 + H2";
A 1300;
beta 2;
Ta 2767.55;
}
un-named-reaction-302
{
type reversibleArrheniusReaction;
reaction "aC3H4 + H = CH3CHCH";
A 5.4e+26;
beta -6.09;
Ta 8202.02;
}
un-named-reaction-303
{
type reversibleArrheniusReaction;
reaction "aC3H4 + H = CH3CCH2";
A 9.46e+39;
beta -9.43;
Ta 5630.71;
}
un-named-reaction-304
{
type reversibleArrheniusReaction;
reaction "aC3H4 + H = aC3H5";
A 1.52e+56;
beta -13.54;
Ta 13560.5;
}
un-named-reaction-305
{
type reversibleArrheniusReaction;
reaction "aC3H4 + O = C2H4 + CO";
A 20000;
beta 1.8;
Ta 503.191;
}
un-named-reaction-306
{
type reversibleArrheniusReaction;
reaction "aC3H4 + OH = C3H3 + H2O";
A 5300;
beta 2;
Ta 1006.38;
}
un-named-reaction-307
{
type reversibleArrheniusReaction;
reaction "aC3H4 + CH3 = C3H3 + CH4";
A 1.3e+09;
beta 0;
Ta 3874.57;
}
un-named-reaction-308
{
type reversibleArrheniusReaction;
reaction "aC3H4 + CH3 = iC4H7";
A 2e+08;
beta 0;
Ta 3773.93;
}
un-named-reaction-309
{
type reversibleArrheniusReaction;
reaction "aC3H4 + C2H = C2H2 + C3H3";
A 1e+10;
beta 0;
Ta 0;
}
un-named-reaction-310
{
type reversibleArrheniusReaction;
reaction "pC3H4 = cC3H4";
A 1.2e+44;
beta -9.92;
Ta 34846;
}
un-named-reaction-311
{
type reversibleArrheniusReaction;
reaction "pC3H4 = aC3H4";
A 5.15e+60;
beta -13.93;
Ta 45849.3;
}
un-named-reaction-312
{
type reversibleArrheniusReaction;
reaction "pC3H4 + H = aC3H4 + H";
A 6.27e+14;
beta -0.91;
Ta 5071.66;
}
un-named-reaction-313
{
type reversibleArrheniusReaction;
reaction "pC3H4 + H = CH3CCH2";
A 1.66e+44;
beta -10.58;
Ta 6888.69;
}
un-named-reaction-314
{
type reversibleArrheniusReaction;
reaction "pC3H4 + H = CH3CHCH";
A 5.5e+25;
beta -5.74;
Ta 2163.72;
}
un-named-reaction-315
{
type reversibleArrheniusReaction;
reaction "pC3H4 + H = aC3H5";
A 4.91e+57;
beta -14.37;
Ta 15923;
}
un-named-reaction-316
{
type reversibleArrheniusReaction;
reaction "pC3H4 + H = C3H3 + H2";
A 1300;
beta 2;
Ta 2767.55;
}
un-named-reaction-317
{
type reversibleArrheniusReaction;
reaction "pC3H4 + C3H3 = aC3H4 + C3H3";
A 6140;
beta 1.74;
Ta 5258.35;
}
un-named-reaction-318
{
type reversibleArrheniusReaction;
reaction "pC3H4 + O = HCCO + CH3";
A 7.3e+09;
beta 0;
Ta 1132.18;
}
un-named-reaction-319
{
type reversibleArrheniusReaction;
reaction "pC3H4 + O = C2H4 + CO";
A 1e+10;
beta 0;
Ta 1132.18;
}
un-named-reaction-320
{
type reversibleArrheniusReaction;
reaction "pC3H4 + OH = C3H3 + H2O";
A 1000;
beta 2;
Ta 50.3191;
}
un-named-reaction-321
{
type reversibleArrheniusReaction;
reaction "pC3H4 + C2H = C2H2 + C3H3";
A 1e+10;
beta 0;
Ta 0;
}
un-named-reaction-322
{
type reversibleArrheniusReaction;
reaction "pC3H4 + CH3 = C3H3 + CH4";
A 1.8e+09;
beta 0;
Ta 3874.57;
}
un-named-reaction-323
{
type reversibleArrheniusReaction;
reaction "cC3H4 = aC3H4";
A 4.89e+41;
beta -9.17;
Ta 24955.3;
}
un-named-reaction-324
{
type reversibleArrheniusTroeFallOffReaction;
reaction "aC3H5 + H = C3H6";
k0
{
A 1.33e+54;
beta -12;
Ta 3002.94;
}
kInf
{
A 2e+11;
beta 0;
Ta 0;
}
F
{
alpha 0.02;
Tsss 1096.6;
Ts 1096.6;
Tss 6859.5;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-325
{
type reversibleArrheniusReaction;
reaction "aC3H5 + H = aC3H4 + H2";
A 1.8e+10;
beta 0;
Ta 0;
}
un-named-reaction-326
{
type reversibleArrheniusReaction;
reaction "aC3H5 + O = C2H3CHO + H";
A 6e+10;
beta 0;
Ta 0;
}
un-named-reaction-327
{
type reversibleArrheniusReaction;
reaction "aC3H5 + OH = C2H3CHO + H + H";
A 4.2e+29;
beta -5.16;
Ta 15159.1;
}
un-named-reaction-328
{
type reversibleArrheniusReaction;
reaction "aC3H5 + OH = aC3H4 + H2O";
A 6e+09;
beta 0;
Ta 0;
}
un-named-reaction-329
{
type reversibleArrheniusReaction;
reaction "aC3H5 + O2 = aC3H4 + HO2";
A 4.99e+12;
beta -1.4;
Ta 11285.6;
}
un-named-reaction-330
{
type reversibleArrheniusReaction;
reaction "aC3H5 + O2 = CH3CO + CH2O";
A 1.19e+12;
beta -1.01;
Ta 10128.2;
}
un-named-reaction-331
{
type reversibleArrheniusReaction;
reaction "aC3H5 + O2 = C2H3CHO + OH";
A 1.82e+10;
beta -0.41;
Ta 11502.4;
}
un-named-reaction-332
{
type reversibleArrheniusReaction;
reaction "aC3H5 + HO2 = C3H6 + O2";
A 2.66e+09;
beta 0;
Ta 0;
}
un-named-reaction-333
{
type reversibleArrheniusReaction;
reaction "aC3H5 + HO2 = OH + C2H3 + CH2O";
A 6.6e+09;
beta 0;
Ta 0;
}
un-named-reaction-334
{
type reversibleArrheniusReaction;
reaction "aC3H5 + HCO = C3H6 + CO";
A 6e+10;
beta 0;
Ta 0;
}
un-named-reaction-335
{
type reversibleArrheniusTroeFallOffReaction;
reaction "aC3H5 + CH3 = C4H81";
k0
{
A 3.91e+54;
beta -12.81;
Ta 3144.95;
}
kInf
{
A 1e+11;
beta -0.32;
Ta -131.987;
}
F
{
alpha 0.104;
Tsss 1606;
Ts 60000;
Tss 6118.4;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-336
{
type reversibleArrheniusReaction;
reaction "aC3H5 + CH3 = aC3H4 + CH4";
A 3e+09;
beta -0.32;
Ta -65.9181;
}
un-named-reaction-337
{
type reversibleArrheniusReaction;
reaction "aC3H5 = CH3CCH2";
A 7.06e+56;
beta -14.08;
Ta 38176.1;
}
un-named-reaction-338
{
type reversibleArrheniusReaction;
reaction "aC3H5 = CH3CHCH";
A 5e+51;
beta -13.02;
Ta 36883.9;
}
un-named-reaction-339
{
type reversibleArrheniusReaction;
reaction "aC3H5 + C2H2 = lC5H7";
A 8.38e+27;
beta -6.242;
Ta 6452.92;
}
un-named-reaction-340
{
type reversibleArrheniusReaction;
reaction "CH3CCH2 = CH3CHCH";
A 1.5e+48;
beta -12.71;
Ta 27122;
}
un-named-reaction-341
{
type reversibleArrheniusReaction;
reaction "CH3CCH2 + H = pC3H4 + H2";
A 3.34e+09;
beta 0;
Ta 0;
}
un-named-reaction-342
{
type reversibleArrheniusReaction;
reaction "CH3CCH2 + O = CH3 + CH2CO";
A 6e+10;
beta 0;
Ta 0;
}
un-named-reaction-343
{
type reversibleArrheniusReaction;
reaction "CH3CCH2 + OH = CH3 + CH2CO + H";
A 5e+09;
beta 0;
Ta 0;
}
un-named-reaction-344
{
type reversibleArrheniusReaction;
reaction "CH3CCH2 + O2 = CH3CO + CH2O";
A 1e+08;
beta 0;
Ta 0;
}
un-named-reaction-345
{
type reversibleArrheniusReaction;
reaction "CH3CCH2 + HO2 = CH3 + CH2CO + OH";
A 2e+10;
beta 0;
Ta 0;
}
un-named-reaction-346
{
type reversibleArrheniusReaction;
reaction "CH3CCH2 + HCO = C3H6 + CO";
A 9e+10;
beta 0;
Ta 0;
}
un-named-reaction-347
{
type reversibleArrheniusReaction;
reaction "CH3CCH2 + CH3 = pC3H4 + CH4";
A 1e+08;
beta 0;
Ta 0;
}
un-named-reaction-348
{
type reversibleArrheniusReaction;
reaction "CH3CCH2 + CH3 = iC4H8";
A 2e+10;
beta 0;
Ta 0;
}
un-named-reaction-349
{
type reversibleArrheniusReaction;
reaction "CH3CHCH + H = pC3H4 + H2";
A 3.34e+09;
beta 0;
Ta 0;
}
un-named-reaction-350
{
type reversibleArrheniusReaction;
reaction "CH3CHCH + O = C2H4 + HCO";
A 6e+10;
beta 0;
Ta 0;
}
un-named-reaction-351
{
type reversibleArrheniusReaction;
reaction "CH3CHCH + OH = C2H4 + HCO + H";
A 5e+09;
beta 0;
Ta 0;
}
un-named-reaction-352
{
type reversibleArrheniusReaction;
reaction "CH3CHCH + O2 = CH3CHO + HCO";
A 1e+08;
beta 0;
Ta 0;
}
un-named-reaction-353
{
type reversibleArrheniusReaction;
reaction "CH3CHCH + HO2 = C2H4 + HCO + OH";
A 2e+10;
beta 0;
Ta 0;
}
un-named-reaction-354
{
type reversibleArrheniusReaction;
reaction "CH3CHCH + HCO = C3H6 + CO";
A 9e+10;
beta 0;
Ta 0;
}
un-named-reaction-355
{
type reversibleArrheniusReaction;
reaction "CH3CHCH + CH3 = pC3H4 + CH4";
A 1e+08;
beta 0;
Ta 0;
}
un-named-reaction-356
{
type reversibleArrheniusTroeFallOffReaction;
reaction "C3H6 + H = nC3H7";
k0
{
A 6.26e+32;
beta -6.66;
Ta 3522.34;
}
kInf
{
A 1.33e+10;
beta 0;
Ta 1640.76;
}
F
{
alpha 1;
Tsss 1000;
Ts 1310;
Tss 48097;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-357
{
type reversibleArrheniusTroeFallOffReaction;
reaction "C3H6 + H = iC3H7";
k0
{
A 8.7e+36;
beta -7.5;
Ta 2375.97;
}
kInf
{
A 1.33e+10;
beta 0;
Ta 784.878;
}
F
{
alpha 1;
Tsss 1000;
Ts 645.4;
Tss 6844.3;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-358
{
type reversibleArrheniusReaction;
reaction "C3H6 + H = C2H4 + CH3";
A 8e+18;
beta -2.39;
Ta 5625.68;
}
un-named-reaction-359
{
type reversibleArrheniusReaction;
reaction "C3H6 + H = aC3H5 + H2";
A 173;
beta 2.5;
Ta 1252.95;
}
un-named-reaction-360
{
type reversibleArrheniusReaction;
reaction "C3H6 + H = CH3CCH2 + H2";
A 400;
beta 2.5;
Ta 4926.24;
}
un-named-reaction-361
{
type reversibleArrheniusReaction;
reaction "C3H6 + H = CH3CHCH + H2";
A 804;
beta 2.5;
Ta 6180.7;
}
un-named-reaction-362
{
type reversibleArrheniusReaction;
reaction "C3H6 + O = CH2CO + CH3 + H";
A 80000;
beta 1.65;
Ta 164.544;
}
un-named-reaction-363
{
type reversibleArrheniusReaction;
reaction "C3H6 + O = C2H3CHO + H + H";
A 40000;
beta 1.65;
Ta 164.544;
}
un-named-reaction-364
{
type reversibleArrheniusReaction;
reaction "C3H6 + O = C2H5 + HCO";
A 35000;
beta 1.65;
Ta -489.102;
}
un-named-reaction-365
{
type reversibleArrheniusReaction;
reaction "C3H6 + O = aC3H5 + OH";
A 1.8e+08;
beta 0.7;
Ta 2958.76;
}
un-named-reaction-366
{
type reversibleArrheniusReaction;
reaction "C3H6 + O = CH3CCH2 + OH";
A 6e+07;
beta 0.7;
Ta 3839.35;
}
un-named-reaction-367
{
type reversibleArrheniusReaction;
reaction "C3H6 + O = CH3CHCH + OH";
A 1.21e+08;
beta 0.7;
Ta 4508.59;
}
un-named-reaction-368
{
type reversibleArrheniusReaction;
reaction "C3H6 + OH = aC3H5 + H2O";
A 3100;
beta 2;
Ta -149.951;
}
un-named-reaction-369
{
type reversibleArrheniusReaction;
reaction "C3H6 + OH = CH3CCH2 + H2O";
A 1100;
beta 2;
Ta 729.627;
}
un-named-reaction-370
{
type reversibleArrheniusReaction;
reaction "C3H6 + OH = CH3CHCH + H2O";
A 2140;
beta 2;
Ta 1397.87;
}
un-named-reaction-371
{
type reversibleArrheniusReaction;
reaction "C3H6 + HO2 = aC3H5 + H2O2";
A 9.6;
beta 2.6;
Ta 6999.39;
}
un-named-reaction-372
{
type reversibleArrheniusReaction;
reaction "C3H6 + CH3 = aC3H5 + CH4";
A 0.0022;
beta 3.5;
Ta 2855.61;
}
un-named-reaction-373
{
type reversibleArrheniusReaction;
reaction "C3H6 + CH3 = CH3CCH2 + CH4";
A 0.00084;
beta 3.5;
Ta 5867.21;
}
un-named-reaction-374
{
type reversibleArrheniusReaction;
reaction "C3H6 + CH3 = CH3CHCH + CH4";
A 0.00135;
beta 3.5;
Ta 6465;
}
un-named-reaction-375
{
type reversibleArrheniusReaction;
reaction "C3H6 + C2H3 = C4H6 + CH3";
A 7.23e+08;
beta 0;
Ta 2515.96;
}
un-named-reaction-376
{
type reversibleArrheniusReaction;
reaction "C3H6 + HO2 = CH3CHOCH2 + OH";
A 1.09e+09;
beta 0;
Ta 7145.32;
}
un-named-reaction-377
{
type reversibleArrheniusReaction;
reaction "C2H3CHO + H = C2H4 + HCO";
A 1.08e+08;
beta 0.454;
Ta 2928.57;
}
un-named-reaction-378
{
type reversibleArrheniusReaction;
reaction "C2H3CHO + O = C2H3 + OH + CO";
A 3e+10;
beta 0;
Ta 1781.3;
}
un-named-reaction-379
{
type reversibleArrheniusReaction;
reaction "C2H3CHO + O = CH2O + CH2CO";
A 19000;
beta 1.8;
Ta 110.702;
}
un-named-reaction-380
{
type reversibleArrheniusReaction;
reaction "C2H3CHO + OH = C2H3 + H2O + CO";
A 3.43e+06;
beta 1.18;
Ta -224.926;
}
un-named-reaction-381
{
type reversibleArrheniusReaction;
reaction "C2H3CHO + CH3 = CH2CHCO + CH4";
A 2e+10;
beta 0;
Ta 5535.1;
}
un-named-reaction-382
{
type reversibleArrheniusReaction;
reaction "C2H3CHO + C2H3 = C4H6 + HCO";
A 2.8e+18;
beta -2.44;
Ta 7406.98;
}
un-named-reaction-383
{
type reversibleArrheniusReaction;
reaction "CH2CHCO = C2H3 + CO";
A 1e+14;
beta 0;
Ta 13586.2;
}
un-named-reaction-384
{
type reversibleArrheniusReaction;
reaction "CH2CHCO + H = C2H3CHO";
A 1e+11;
beta 0;
Ta 0;
}
un-named-reaction-385
{
type reversibleArrheniusReaction;
reaction "CH3CHOCH2 = CH3CH2CHO";
A 1.84e+14;
beta 0;
Ta 29436.7;
}
un-named-reaction-386
{
type reversibleArrheniusReaction;
reaction "CH3CHOCH2 = C2H5 + HCO";
A 2.45e+13;
beta 0;
Ta 29436.7;
}
un-named-reaction-387
{
type reversibleArrheniusReaction;
reaction "CH3CHOCH2 = CH3 + CH2CHO";
A 2.45e+13;
beta 0;
Ta 29587.6;
}
un-named-reaction-388
{
type reversibleArrheniusReaction;
reaction "CH3CHOCH2 = CH3COCH3";
A 1.01e+14;
beta 0;
Ta 30141.2;
}
un-named-reaction-389
{
type reversibleArrheniusReaction;
reaction "CH3CHOCH2 = CH3 + CH3CO";
A 4.54e+13;
beta 0;
Ta 30141.2;
}
un-named-reaction-390
{
type reversibleArrheniusTroeFallOffReaction;
reaction "iC3H7 + H = C3H8";
k0
{
A 1.7e+52;
beta -12.08;
Ta 5667.8;
}
kInf
{
A 2.4e+10;
beta 0;
Ta 0;
}
F
{
alpha 0.649;
Tsss 1213.1;
Ts 1213.1;
Tss 13369.7;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-391
{
type reversibleArrheniusReaction;
reaction "iC3H7 + H = CH3 + C2H5";
A 1.4e+25;
beta -3.94;
Ta 8008.79;
}
un-named-reaction-392
{
type reversibleArrheniusReaction;
reaction "iC3H7 + H = C3H6 + H2";
A 3.2e+09;
beta 0;
Ta 0;
}
un-named-reaction-393
{
type reversibleArrheniusReaction;
reaction "iC3H7 + O = CH3CHO + CH3";
A 9.6e+10;
beta 0;
Ta 0;
}
un-named-reaction-394
{
type reversibleArrheniusReaction;
reaction "iC3H7 + OH = C3H6 + H2O";
A 2.4e+10;
beta 0;
Ta 0;
}
un-named-reaction-395
{
type reversibleArrheniusReaction;
reaction "iC3H7 + O2 = C3H6 + HO2";
A 1.3e+08;
beta 0;
Ta 0;
}
un-named-reaction-396
{
type reversibleArrheniusReaction;
reaction "iC3H7 + HO2 = CH3CHO + CH3 + OH";
A 2.4e+10;
beta 0;
Ta 0;
}
un-named-reaction-397
{
type reversibleArrheniusReaction;
reaction "iC3H7 + HCO = C3H8 + CO";
A 1.2e+11;
beta 0;
Ta 0;
}
un-named-reaction-398
{
type reversibleArrheniusReaction;
reaction "iC3H7 + CH3 = CH4 + C3H6";
A 2.2e+11;
beta -0.68;
Ta 0;
}
un-named-reaction-399
{
type reversibleArrheniusTroeFallOffReaction;
reaction "nC3H7 + H = C3H8";
k0
{
A 3.01e+42;
beta -9.32;
Ta 2935.42;
}
kInf
{
A 3.6e+10;
beta 0;
Ta 0;
}
F
{
alpha 0.498;
Tsss 1314;
Ts 1314;
Tss 50000;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-400
{
type reversibleArrheniusReaction;
reaction "nC3H7 + H = C2H5 + CH3";
A 3.7e+21;
beta -2.92;
Ta 6292.41;
}
un-named-reaction-401
{
type reversibleArrheniusReaction;
reaction "nC3H7 + H = C3H6 + H2";
A 1.8e+09;
beta 0;
Ta 0;
}
un-named-reaction-402
{
type reversibleArrheniusReaction;
reaction "nC3H7 + O = C2H5 + CH2O";
A 9.6e+10;
beta 0;
Ta 0;
}
un-named-reaction-403
{
type reversibleArrheniusReaction;
reaction "nC3H7 + OH = C3H6 + H2O";
A 2.4e+10;
beta 0;
Ta 0;
}
un-named-reaction-404
{
type reversibleArrheniusReaction;
reaction "nC3H7 + O2 = C3H6 + HO2";
A 9e+07;
beta 0;
Ta 0;
}
un-named-reaction-405
{
type reversibleArrheniusReaction;
reaction "nC3H7 + HO2 = C2H5 + OH + CH2O";
A 2.4e+10;
beta 0;
Ta 0;
}
un-named-reaction-406
{
type reversibleArrheniusReaction;
reaction "nC3H7 + HCO = C3H8 + CO";
A 6e+10;
beta 0;
Ta 0;
}
un-named-reaction-407
{
type reversibleArrheniusReaction;
reaction "nC3H7 + CH3 = CH4 + C3H6";
A 1.1e+10;
beta 0;
Ta 0;
}
un-named-reaction-408
{
type reversibleArrheniusReaction;
reaction "C3H8 + H = H2 + nC3H7";
A 1300;
beta 2.54;
Ta 3399.56;
}
un-named-reaction-409
{
type reversibleArrheniusReaction;
reaction "C3H8 + H = H2 + iC3H7";
A 1300;
beta 2.4;
Ta 2249.77;
}
un-named-reaction-410
{
type reversibleArrheniusReaction;
reaction "C3H8 + O = nC3H7 + OH";
A 190;
beta 2.68;
Ta 1869.86;
}
un-named-reaction-411
{
type reversibleArrheniusReaction;
reaction "C3H8 + O = iC3H7 + OH";
A 47.6;
beta 2.71;
Ta 1059.72;
}
un-named-reaction-412
{
type reversibleArrheniusReaction;
reaction "C3H8 + OH = nC3H7 + H2O";
A 1.4;
beta 2.66;
Ta 265.182;
}
un-named-reaction-413
{
type reversibleArrheniusReaction;
reaction "C3H8 + OH = iC3H7 + H2O";
A 27;
beta 2.39;
Ta 197.754;
}
un-named-reaction-414
{
type reversibleArrheniusReaction;
reaction "C3H8 + O2 = nC3H7 + HO2";
A 4e+10;
beta 0;
Ta 25627.5;
}
un-named-reaction-415
{
type reversibleArrheniusReaction;
reaction "C3H8 + O2 = iC3H7 + HO2";
A 4e+10;
beta 0;
Ta 23946.9;
}
un-named-reaction-416
{
type reversibleArrheniusReaction;
reaction "C3H8 + HO2 = nC3H7 + H2O2";
A 47.6;
beta 2.55;
Ta 8297.62;
}
un-named-reaction-417
{
type reversibleArrheniusReaction;
reaction "C3H8 + HO2 = iC3H7 + H2O2";
A 9.64;
beta 2.6;
Ta 6999.39;
}
un-named-reaction-418
{
type reversibleArrheniusReaction;
reaction "C3H8 + CH3 = CH4 + nC3H7";
A 0.000903;
beta 3.65;
Ta 3599.33;
}
un-named-reaction-419
{
type reversibleArrheniusReaction;
reaction "C3H8 + CH3 = CH4 + iC3H7";
A 0.00151;
beta 3.46;
Ta 2757.49;
}
un-named-reaction-420
{
type reversibleArrheniusReaction;
reaction "C4H2 + H = nC4H3";
A 1.1e+39;
beta -8.72;
Ta 7698.83;
}
un-named-reaction-421
{
type reversibleArrheniusReaction;
reaction "C4H2 + H = iC4H3";
A 1.1e+27;
beta -4.92;
Ta 5434.47;
}
un-named-reaction-422
{
type reversibleArrheniusReaction;
reaction "C4H2 + OH = H2C4O + H";
A 6.6e+09;
beta 0;
Ta -206.308;
}
un-named-reaction-423
{
type reversibleArrheniusReaction;
reaction "C4H2 + C2H = C6H2 + H";
A 9.6e+10;
beta 0;
Ta 0;
}
un-named-reaction-424
{
type reversibleArrheniusReaction;
reaction "C4H2 + C2H = C6H3";
A 4.5e+34;
beta -7.68;
Ta 3572.66;
}
un-named-reaction-425
{
type reversibleArrheniusReaction;
reaction "H2C4O + H = C2H2 + HCCO";
A 5e+10;
beta 0;
Ta 1509.57;
}
un-named-reaction-426
{
type reversibleArrheniusReaction;
reaction "H2C4O + OH = CH2CO + HCCO";
A 10000;
beta 2;
Ta 1006.38;
}
un-named-reaction-427
{
type reversibleArrheniusReaction;
reaction "nC4H3 = iC4H3";
A 4.1e+43;
beta -9.49;
Ta 26669.1;
}
un-named-reaction-428
{
type reversibleArrheniusReaction;
reaction "nC4H3 + H = iC4H3 + H";
A 2.5e+17;
beta -1.67;
Ta 5434.47;
}
un-named-reaction-429
{
type reversibleArrheniusReaction;
reaction "nC4H3 + H = C2H2 + H2CC";
A 6.3e+22;
beta -3.34;
Ta 5038.96;
}
un-named-reaction-430
{
type reversibleArrheniusReaction;
reaction "nC4H3 + H = C4H4";
A 2e+44;
beta -10.26;
Ta 6576.71;
}
un-named-reaction-431
{
type reversibleArrheniusReaction;
reaction "nC4H3 + H = C4H2 + H2";
A 3e+10;
beta 0;
Ta 0;
}
un-named-reaction-432
{
type reversibleArrheniusReaction;
reaction "nC4H3 + OH = C4H2 + H2O";
A 2e+09;
beta 0;
Ta 0;
}
un-named-reaction-433
{
type reversibleArrheniusReaction;
reaction "nC4H3 + C2H2 = l-C6H4 + H";
A 2.5e+11;
beta -0.56;
Ta 5333.83;
}
un-named-reaction-434
{
type reversibleArrheniusReaction;
reaction "nC4H3 + C2H2 = C6H5";
A 9.6e+67;
beta -17.77;
Ta 15749.9;
}
un-named-reaction-435
{
type reversibleArrheniusReaction;
reaction "nC4H3 + C2H2 = o-C6H4 + H";
A 6.9e+43;
beta -10.01;
Ta 15146.1;
}
un-named-reaction-436
{
type reversibleArrheniusReaction;
reaction "iC4H3 + H = C2H2 + H2CC";
A 2.8e+20;
beta -2.55;
Ta 5424.4;
}
un-named-reaction-437
{
type reversibleArrheniusReaction;
reaction "iC4H3 + H = C4H4";
A 3.4e+40;
beta -9.01;
Ta 6098.68;
}
un-named-reaction-438
{
type reversibleArrheniusReaction;
reaction "iC4H3 + H = C4H2 + H2";
A 6e+10;
beta 0;
Ta 0;
}
un-named-reaction-439
{
type reversibleArrheniusReaction;
reaction "iC4H3 + OH = C4H2 + H2O";
A 4e+09;
beta 0;
Ta 0;
}
un-named-reaction-440
{
type reversibleArrheniusReaction;
reaction "iC4H3 + O2 = HCCO + CH2CO";
A 7.86e+13;
beta -1.8;
Ta 0;
}
un-named-reaction-441
{
type reversibleArrheniusReaction;
reaction "C4H4 + H = nC4H5";
A 1.3e+48;
beta -11.92;
Ta 8302.66;
}
un-named-reaction-442
{
type reversibleArrheniusReaction;
reaction "C4H4 + H = iC4H5";
A 4.9e+48;
beta -11.92;
Ta 8906.48;
}
un-named-reaction-443
{
type reversibleArrheniusReaction;
reaction "C4H4 + H = nC4H3 + H2";
A 665;
beta 2.53;
Ta 6159.06;
}
un-named-reaction-444
{
type reversibleArrheniusReaction;
reaction "C4H4 + H = iC4H3 + H2";
A 333;
beta 2.53;
Ta 4649.49;
}
un-named-reaction-445
{
type reversibleArrheniusReaction;
reaction "C4H4 + OH = nC4H3 + H2O";
A 31000;
beta 2;
Ta 1725.95;
}
un-named-reaction-446
{
type reversibleArrheniusReaction;
reaction "C4H4 + OH = iC4H3 + H2O";
A 15500;
beta 2;
Ta 216.372;
}
un-named-reaction-447
{
type reversibleArrheniusReaction;
reaction "C4H4 + O = C3H3 + HCO";
A 600000;
beta 1.45;
Ta -432.744;
}
un-named-reaction-448
{
type reversibleArrheniusReaction;
reaction "C4H4 + C2H = l-C6H4 + H";
A 1.2e+10;
beta 0;
Ta 0;
}
un-named-reaction-449
{
type reversibleArrheniusReaction;
reaction "nC4H5 = iC4H5";
A 1.5e+67;
beta -16.89;
Ta 29738.6;
}
un-named-reaction-450
{
type reversibleArrheniusReaction;
reaction "nC4H5 + H = iC4H5 + H";
A 3.1e+23;
beta -3.35;
Ta 8767.1;
}
un-named-reaction-451
{
type reversibleArrheniusReaction;
reaction "nC4H5 + H = C4H4 + H2";
A 1.5e+10;
beta 0;
Ta 0;
}
un-named-reaction-452
{
type reversibleArrheniusReaction;
reaction "nC4H5 + OH = C4H4 + H2O";
A 2e+09;
beta 0;
Ta 0;
}
un-named-reaction-453
{
type reversibleArrheniusReaction;
reaction "nC4H5 + HCO = C4H6 + CO";
A 5e+09;
beta 0;
Ta 0;
}
un-named-reaction-454
{
type reversibleArrheniusReaction;
reaction "nC4H5 + HO2 = C2H3 + CH2CO + OH";
A 6.6e+09;
beta 0;
Ta 0;
}
un-named-reaction-455
{
type reversibleArrheniusReaction;
reaction "nC4H5 + H2O2 = C4H6 + HO2";
A 1.21e+07;
beta 0;
Ta -299.902;
}
un-named-reaction-456
{
type reversibleArrheniusReaction;
reaction "nC4H5 + HO2 = C4H6 + O2";
A 6e+08;
beta 0;
Ta 0;
}
un-named-reaction-457
{
type reversibleArrheniusReaction;
reaction "nC4H5 + O2 = CH2CHCHCHO + O";
A 3e+08;
beta 0.29;
Ta 5.5351;
}
un-named-reaction-458
{
type reversibleArrheniusReaction;
reaction "nC4H5 + O2 = HCO + C2H3CHO";
A 9.2e+13;
beta -1.39;
Ta 508.223;
}
un-named-reaction-459
{
type reversibleArrheniusReaction;
reaction "nC4H5 + C2H2 = C6H6 + H";
A 1.6e+13;
beta -1.33;
Ta 2717.23;
}
un-named-reaction-460
{
type reversibleArrheniusReaction;
reaction "nC4H5 + C2H3 = C6H6 + H2";
A 1.84e-16;
beta 7.07;
Ta -1817.02;
}
un-named-reaction-461
{
type reversibleArrheniusReaction;
reaction "iC4H5 + H = C4H4 + H2";
A 3e+10;
beta 0;
Ta 0;
}
un-named-reaction-462
{
type reversibleArrheniusReaction;
reaction "iC4H5 + H = C3H3 + CH3";
A 2e+10;
beta 0;
Ta 1006.38;
}
un-named-reaction-463
{
type reversibleArrheniusReaction;
reaction "iC4H5 + OH = C4H4 + H2O";
A 4e+09;
beta 0;
Ta 0;
}
un-named-reaction-464
{
type reversibleArrheniusReaction;
reaction "iC4H5 + HCO = C4H6 + CO";
A 5e+09;
beta 0;
Ta 0;
}
un-named-reaction-465
{
type reversibleArrheniusReaction;
reaction "iC4H5 + HO2 = C4H6 + O2";
A 6e+08;
beta 0;
Ta 0;
}
un-named-reaction-466
{
type reversibleArrheniusReaction;
reaction "iC4H5 + HO2 = C2H3 + CH2CO + OH";
A 6.6e+09;
beta 0;
Ta 0;
}
un-named-reaction-467
{
type reversibleArrheniusReaction;
reaction "iC4H5 + H2O2 = C4H6 + HO2";
A 1.21e+07;
beta 0;
Ta -299.902;
}
un-named-reaction-468
{
type reversibleArrheniusReaction;
reaction "iC4H5 + O2 = CH2CO + CH2CHO";
A 2.16e+07;
beta 0;
Ta 1257.98;
}
un-named-reaction-469
{
type reversibleArrheniusReaction;
reaction "C4H5-2 = iC4H5";
A 1.5e+67;
beta -16.89;
Ta 29738.6;
}
un-named-reaction-470
{
type reversibleArrheniusReaction;
reaction "iC4H5 + H = C4H5-2 + H";
A 3.1e+23;
beta -3.35;
Ta 8767.1;
}
un-named-reaction-471
{
type reversibleArrheniusReaction;
reaction "C4H5-2 + HO2 = OH + C2H2 + CH3CO";
A 8e+08;
beta 0;
Ta 0;
}
un-named-reaction-472
{
type reversibleArrheniusReaction;
reaction "C4H5-2 + O2 = CH3CO + CH2CO";
A 2.16e+07;
beta 0;
Ta 1257.98;
}
un-named-reaction-473
{
type reversibleArrheniusReaction;
reaction "C4H5-2 + C2H2 = C6H6 + H";
A 5e+11;
beta 0;
Ta 12579.8;
}
un-named-reaction-474
{
type reversibleArrheniusReaction;
reaction "C4H5-2 + C2H4 = C5H6 + CH3";
A 5e+11;
beta 0;
Ta 12579.8;
}
un-named-reaction-475
{
type reversibleArrheniusReaction;
reaction "C4H6 = iC4H5 + H";
A 5.7e+36;
beta -6.27;
Ta 56535;
}
un-named-reaction-476
{
type reversibleArrheniusReaction;
reaction "C4H6 = nC4H5 + H";
A 5.3e+44;
beta -8.62;
Ta 62198.5;
}
un-named-reaction-477
{
type reversibleArrheniusReaction;
reaction "C4H6 = C4H4 + H2";
A 2.5e+15;
beta 0;
Ta 47652.2;
}
un-named-reaction-478
{
type reversibleArrheniusReaction;
reaction "C4H6 + H = nC4H5 + H2";
A 1330;
beta 2.53;
Ta 6159.06;
}
un-named-reaction-479
{
type reversibleArrheniusReaction;
reaction "C4H6 + H = iC4H5 + H2";
A 665;
beta 2.53;
Ta 4649.49;
}
un-named-reaction-480
{
type reversibleArrheniusReaction;
reaction "C4H6 + H = C2H4 + C2H3";
A 1.46e+27;
beta -4.34;
Ta 10892.6;
}
un-named-reaction-481
{
type reversibleArrheniusReaction;
reaction "C4H6 + H = pC3H4 + CH3";
A 2e+09;
beta 0;
Ta 3522.34;
}
un-named-reaction-482
{
type reversibleArrheniusReaction;
reaction "C4H6 + H = aC3H4 + CH3";
A 2e+09;
beta 0;
Ta 3522.34;
}
un-named-reaction-483
{
type reversibleArrheniusReaction;
reaction "C4H6 + O = nC4H5 + OH";
A 7500;
beta 1.9;
Ta 1881.94;
}
un-named-reaction-484
{
type reversibleArrheniusReaction;
reaction "C4H6 + O = iC4H5 + OH";
A 7500;
beta 1.9;
Ta 1881.94;
}
un-named-reaction-485
{
type reversibleArrheniusReaction;
reaction "C4H6 + O = CH3CHCHCO + H";
A 150000;
beta 1.45;
Ta -432.744;
}
un-named-reaction-486
{
type reversibleArrheniusReaction;
reaction "C4H6 + O = CH2CHCHCHO + H";
A 450000;
beta 1.45;
Ta -432.744;
}
un-named-reaction-487
{
type reversibleArrheniusReaction;
reaction "C4H6 + OH = nC4H5 + H2O";
A 6200;
beta 2;
Ta 1725.95;
}
un-named-reaction-488
{
type reversibleArrheniusReaction;
reaction "C4H6 + OH = iC4H5 + H2O";
A 3100;
beta 2;
Ta 216.372;
}
un-named-reaction-489
{
type reversibleArrheniusReaction;
reaction "C4H6 + HO2 = C4H6O25 + OH";
A 1.2e+09;
beta 0;
Ta 7044.68;
}
un-named-reaction-490
{
type reversibleArrheniusReaction;
reaction "C4H6 + HO2 = C2H3CHOCH2 + OH";
A 4.8e+09;
beta 0;
Ta 7044.68;
}
un-named-reaction-491
{
type reversibleArrheniusReaction;
reaction "C4H6 + CH3 = nC4H5 + CH4";
A 2e+11;
beta 0;
Ta 11472.8;
}
un-named-reaction-492
{
type reversibleArrheniusReaction;
reaction "C4H6 + CH3 = iC4H5 + CH4";
A 1e+11;
beta 0;
Ta 9963.19;
}
un-named-reaction-493
{
type reversibleArrheniusReaction;
reaction "C4H6 + C2H3 = nC4H5 + C2H4";
A 5e+10;
beta 0;
Ta 11472.8;
}
un-named-reaction-494
{
type reversibleArrheniusReaction;
reaction "C4H6 + C2H3 = iC4H5 + C2H4";
A 2.5e+10;
beta 0;
Ta 9963.19;
}
un-named-reaction-495
{
type reversibleArrheniusReaction;
reaction "C4H6 + C3H3 = nC4H5 + aC3H4";
A 1e+10;
beta 0;
Ta 11321.8;
}
un-named-reaction-496
{
type reversibleArrheniusReaction;
reaction "C4H6 + C3H3 = iC4H5 + aC3H4";
A 5e+09;
beta 0;
Ta 9812.23;
}
un-named-reaction-497
{
type reversibleArrheniusReaction;
reaction "C4H6 + aC3H5 = nC4H5 + C3H6";
A 1e+10;
beta 0;
Ta 11321.8;
}
un-named-reaction-498
{
type reversibleArrheniusReaction;
reaction "C4H6 + aC3H5 = iC4H5 + C3H6";
A 5e+09;
beta 0;
Ta 9812.23;
}
un-named-reaction-499
{
type reversibleArrheniusReaction;
reaction "C4H6 + C2H3 = C6H6 + H2 + H";
A 5.62e+08;
beta 0;
Ta 1630.34;
}
un-named-reaction-500
{
type reversibleArrheniusReaction;
reaction "C4H612 = iC4H5 + H";
A 4.2e+15;
beta 0;
Ta 46595.5;
}
un-named-reaction-501
{
type reversibleArrheniusReaction;
reaction "C4H612 + H = C4H6 + H";
A 2e+10;
beta 0;
Ta 2012.76;
}
un-named-reaction-502
{
type reversibleArrheniusReaction;
reaction "C4H612 + H = iC4H5 + H2";
A 170;
beta 2.5;
Ta 1252.95;
}
un-named-reaction-503
{
type reversibleArrheniusReaction;
reaction "C4H612 + H = aC3H4 + CH3";
A 2e+10;
beta 0;
Ta 1006.38;
}
un-named-reaction-504
{
type reversibleArrheniusReaction;
reaction "C4H612 + H = pC3H4 + CH3";
A 2e+10;
beta 0;
Ta 1006.38;
}
un-named-reaction-505
{
type reversibleArrheniusReaction;
reaction "C4H612 + CH3 = iC4H5 + CH4";
A 7e+10;
beta 0;
Ta 9309.04;
}
un-named-reaction-506
{
type reversibleArrheniusReaction;
reaction "C4H612 + O = CH2CO + C2H4";
A 120000;
beta 1.65;
Ta 164.544;
}
un-named-reaction-507
{
type reversibleArrheniusReaction;
reaction "C4H612 + O = iC4H5 + OH";
A 1.8e+08;
beta 0.7;
Ta 2958.76;
}
un-named-reaction-508
{
type reversibleArrheniusReaction;
reaction "C4H612 + OH = iC4H5 + H2O";
A 3100;
beta 2;
Ta -149.951;
}
un-named-reaction-509
{
type reversibleArrheniusReaction;
reaction "C4H612 = C4H6";
A 3e+13;
beta 0;
Ta 32707.4;
}
un-named-reaction-510
{
type reversibleArrheniusReaction;
reaction "C4H6-2 = C4H6";
A 3e+13;
beta 0;
Ta 32707.4;
}
un-named-reaction-511
{
type reversibleArrheniusReaction;
reaction "C4H6-2 = C4H612";
A 3e+13;
beta 0;
Ta 33713.8;
}
un-named-reaction-512
{
type reversibleArrheniusReaction;
reaction "C4H6-2 + H = C4H612 + H";
A 2e+10;
beta 0;
Ta 2012.76;
}
un-named-reaction-513
{
type reversibleArrheniusReaction;
reaction "C4H6-2 + H = C4H5-2 + H2";
A 340;
beta 2.5;
Ta 1252.95;
}
un-named-reaction-514
{
type reversibleArrheniusReaction;
reaction "C4H6-2 + H = CH3 + pC3H4";
A 260;
beta 2.5;
Ta 503.191;
}
un-named-reaction-515
{
type reversibleArrheniusReaction;
reaction "C4H6-2 = H + C4H5-2";
A 5e+15;
beta 0;
Ta 43928.6;
}
un-named-reaction-516
{
type reversibleArrheniusReaction;
reaction "C4H6-2 + CH3 = C4H5-2 + CH4";
A 1.4e+11;
beta 0;
Ta 9309.04;
}
un-named-reaction-517
{
type reversibleArrheniusReaction;
reaction "C2H3CHOCH2 = C4H6O23";
A 2e+14;
beta 0;
Ta 25461.5;
}
un-named-reaction-518
{
type reversibleArrheniusReaction;
reaction "C4H6O23 = CH3CHCHCHO";
A 1.95e+13;
beta 0;
Ta 24857.6;
}
un-named-reaction-519
{
type reversibleArrheniusReaction;
reaction "C4H6O23 = C2H4 + CH2CO";
A 5.75e+15;
beta 0;
Ta 34871.2;
}
un-named-reaction-520
{
type reversibleArrheniusReaction;
reaction "C4H6O23 = C2H2 + CH2OCH2";
A 1e+16;
beta 0;
Ta 38141.9;
}
un-named-reaction-521
{
type reversibleArrheniusReaction;
reaction "C4H6O25 = C4H4O + H2";
A 5.3e+12;
beta 0;
Ta 24404.8;
}
un-named-reaction-522
{
type reversibleArrheniusReaction;
reaction "C4H4O = CO + pC3H4";
A 1.78e+15;
beta 0;
Ta 38997.3;
}
un-named-reaction-523
{
type reversibleArrheniusReaction;
reaction "C4H4O = C2H2 + CH2CO";
A 5.01e+14;
beta 0;
Ta 38997.3;
}
un-named-reaction-524
{
type reversibleArrheniusReaction;
reaction "CH3CHCHCHO = C3H6 + CO";
A 3.9e+14;
beta 0;
Ta 34720.2;
}
un-named-reaction-525
{
type reversibleArrheniusReaction;
reaction "CH3CHCHCHO + H = CH2CHCHCHO + H2";
A 170;
beta 2.5;
Ta 1252.95;
}
un-named-reaction-526
{
type reversibleArrheniusReaction;
reaction "CH3CHCHCHO + H = CH3CHCHCO + H2";
A 100;
beta 2.5;
Ta 1252.95;
}
un-named-reaction-527
{
type reversibleArrheniusReaction;
reaction "CH3CHCHCHO + H = CH3 + C2H3CHO";
A 4e+18;
beta -2.39;
Ta 5625.68;
}
un-named-reaction-528
{
type reversibleArrheniusReaction;
reaction "CH3CHCHCHO + H = C3H6 + HCO";
A 4e+18;
beta -2.39;
Ta 5625.68;
}
un-named-reaction-529
{
type reversibleArrheniusReaction;
reaction "CH3CHCHCHO + CH3 = CH2CHCHCHO + CH4";
A 0.0021;
beta 3.5;
Ta 2855.61;
}
un-named-reaction-530
{
type reversibleArrheniusReaction;
reaction "CH3CHCHCHO + CH3 = CH3CHCHCO + CH4";
A 0.0011;
beta 3.5;
Ta 2855.61;
}
un-named-reaction-531
{
type reversibleArrheniusReaction;
reaction "CH3CHCHCHO + C2H3 = CH2CHCHCHO + C2H4";
A 0.00221;
beta 3.5;
Ta 2355.94;
}
un-named-reaction-532
{
type reversibleArrheniusReaction;
reaction "CH3CHCHCHO + C2H3 = CH3CHCHCO + C2H4";
A 0.00111;
beta 3.5;
Ta 2355.94;
}
un-named-reaction-533
{
type reversibleArrheniusReaction;
reaction "CH3CHCHCO = CH3CHCH + CO";
A 1e+14;
beta 0;
Ta 15095.7;
}
un-named-reaction-534
{
type reversibleArrheniusReaction;
reaction "CH3CHCHCO + H = CH3CHCHCHO";
A 1e+11;
beta 0;
Ta 0;
}
un-named-reaction-535
{
type reversibleArrheniusReaction;
reaction "CH2CHCHCHO = aC3H5 + CO";
A 1e+14;
beta 0;
Ta 12579.8;
}
un-named-reaction-536
{
type reversibleArrheniusReaction;
reaction "CH2CHCHCHO + H = CH3CHCHCHO";
A 1e+11;
beta 0;
Ta 0;
}
un-named-reaction-537
{
type reversibleArrheniusReaction;
reaction "C4H7 = C4H6 + H";
A 2.48e+53;
beta -12.3;
Ta 26165.9;
}
un-named-reaction-538
{
type reversibleArrheniusTroeFallOffReaction;
reaction "C4H7 + H = C4H81";
k0
{
A 3.01e+42;
beta -9.32;
Ta 2935.42;
}
kInf
{
A 3.6e+10;
beta 0;
Ta 0;
}
F
{
alpha 0.498;
Tsss 1314;
Ts 1314;
Tss 50000;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-539
{
type reversibleArrheniusReaction;
reaction "C4H7 + H = CH3 + aC3H5";
A 2e+18;
beta -2;
Ta 5535.1;
}
un-named-reaction-540
{
type reversibleArrheniusReaction;
reaction "C4H7 + H = C4H6 + H2";
A 1.8e+09;
beta 0;
Ta 0;
}
un-named-reaction-541
{
type reversibleArrheniusReaction;
reaction "C4H7 + O2 = C4H6 + HO2";
A 1e+08;
beta 0;
Ta 0;
}
un-named-reaction-542
{
type reversibleArrheniusReaction;
reaction "C4H7 + HO2 = CH2O + OH + aC3H5";
A 2.4e+10;
beta 0;
Ta 0;
}
un-named-reaction-543
{
type reversibleArrheniusReaction;
reaction "C4H7 + HCO = C4H81 + CO";
A 6e+10;
beta 0;
Ta 0;
}
un-named-reaction-544
{
type reversibleArrheniusReaction;
reaction "C4H7 + CH3 = C4H6 + CH4";
A 1.1e+10;
beta 0;
Ta 0;
}
un-named-reaction-545
{
type reversibleArrheniusTroeFallOffReaction;
reaction "iC4H7 + H = iC4H8";
k0
{
A 1.33e+54;
beta -12;
Ta 3002.94;
}
kInf
{
A 2e+11;
beta 0;
Ta 0;
}
F
{
alpha 0.02;
Tsss 1096.6;
Ts 1096.6;
Tss 6859.5;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-546
{
type reversibleArrheniusReaction;
reaction "iC4H7 + H = CH3CCH2 + CH3";
A 2.6e+42;
beta -8.19;
Ta 19065.9;
}
un-named-reaction-547
{
type reversibleArrheniusReaction;
reaction "iC4H7 + O = CH2O + CH3CCH2";
A 9e+10;
beta 0;
Ta 0;
}
un-named-reaction-548
{
type reversibleArrheniusReaction;
reaction "iC4H7 + HO2 = CH3CCH2 + CH2O + OH";
A 4e+09;
beta 0;
Ta 0;
}
un-named-reaction-549
{
type reversibleArrheniusTroeFallOffReaction;
reaction "C4H81 + H = pC4H9";
k0
{
A 6.26e+32;
beta -6.66;
Ta 3522.34;
}
kInf
{
A 1.33e+10;
beta 0;
Ta 1640.76;
}
F
{
alpha 1;
Tsss 1000;
Ts 1310;
Tss 48097;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-550
{
type reversibleArrheniusTroeFallOffReaction;
reaction "C4H81 + H = sC4H9";
k0
{
A 8.7e+36;
beta -7.5;
Ta 2375.97;
}
kInf
{
A 1.33e+10;
beta 0;
Ta 784.878;
}
F
{
alpha 1;
Tsss 1000;
Ts 645.4;
Tss 6844.3;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-551
{
type reversibleArrheniusReaction;
reaction "C4H81 + H = C2H4 + C2H5";
A 1.6e+19;
beta -2.39;
Ta 5625.68;
}
un-named-reaction-552
{
type reversibleArrheniusReaction;
reaction "C4H81 + H = C3H6 + CH3";
A 3.2e+19;
beta -2.39;
Ta 5625.68;
}
un-named-reaction-553
{
type reversibleArrheniusReaction;
reaction "C4H81 + H = C4H7 + H2";
A 650;
beta 2.54;
Ta 3399.56;
}
un-named-reaction-554
{
type reversibleArrheniusReaction;
reaction "C4H81 + O = nC3H7 + HCO";
A 330000;
beta 1.45;
Ta -202.283;
}
un-named-reaction-555
{
type reversibleArrheniusReaction;
reaction "C4H81 + O = C4H7 + OH";
A 1.5e+10;
beta 0;
Ta 2898.38;
}
un-named-reaction-556
{
type reversibleArrheniusReaction;
reaction "C4H81 + O = C4H7 + OH";
A 2.6e+10;
beta 0;
Ta 2249.26;
}
un-named-reaction-557
{
type reversibleArrheniusReaction;
reaction "C4H81 + OH = C4H7 + H2O";
A 0.7;
beta 2.66;
Ta 265.182;
}
un-named-reaction-558
{
type reversibleArrheniusReaction;
reaction "C4H81 + O2 = C4H7 + HO2";
A 2e+10;
beta 0;
Ta 25627.5;
}
un-named-reaction-559
{
type reversibleArrheniusReaction;
reaction "C4H81 + HO2 = C4H7 + H2O2";
A 1e+09;
beta 0;
Ta 7215.76;
}
un-named-reaction-560
{
type reversibleArrheniusReaction;
reaction "C4H81 + CH3 = C4H7 + CH4";
A 0.00045;
beta 3.65;
Ta 3599.33;
}
un-named-reaction-561
{
type reversibleArrheniusTroeFallOffReaction;
reaction "C4H82 + H = sC4H9";
k0
{
A 8.7e+36;
beta -7.5;
Ta 2375.97;
}
kInf
{
A 1.33e+10;
beta 0;
Ta 784.878;
}
F
{
alpha 1;
Tsss 1000;
Ts 645.4;
Tss 6844.3;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-562
{
type reversibleArrheniusReaction;
reaction "C4H82 + H = C4H7 + H2";
A 340;
beta 2.5;
Ta 1252.95;
}
un-named-reaction-563
{
type reversibleArrheniusReaction;
reaction "C4H82 + O = C2H4 + CH3CHO";
A 240000;
beta 1.65;
Ta 164.544;
}
un-named-reaction-564
{
type reversibleArrheniusReaction;
reaction "C4H82 + OH = C4H7 + H2O";
A 6200;
beta 2;
Ta -149.951;
}
un-named-reaction-565
{
type reversibleArrheniusReaction;
reaction "C4H82 + O2 = C4H7 + HO2";
A 5e+10;
beta 0;
Ta 26820.1;
}
un-named-reaction-566
{
type reversibleArrheniusReaction;
reaction "C4H82 + HO2 = C4H7 + H2O2";
A 19;
beta 2.6;
Ta 6999.39;
}
un-named-reaction-567
{
type reversibleArrheniusReaction;
reaction "C4H82 + CH3 = C4H7 + CH4";
A 0.0044;
beta 3.5;
Ta 2855.61;
}
un-named-reaction-568
{
type reversibleArrheniusTroeFallOffReaction;
reaction "iC4H8 + H = iC4H9";
k0
{
A 6.26e+32;
beta -6.66;
Ta 3522.34;
}
kInf
{
A 1.33e+10;
beta 0;
Ta 1640.76;
}
F
{
alpha 1;
Tsss 1000;
Ts 1310;
Tss 48097;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-569
{
type reversibleArrheniusReaction;
reaction "iC4H8 + H = iC4H7 + H2";
A 1200;
beta 2.54;
Ta 3401.57;
}
un-named-reaction-570
{
type reversibleArrheniusReaction;
reaction "iC4H8 + H = C3H6 + CH3";
A 8e+18;
beta -2.39;
Ta 5625.68;
}
un-named-reaction-571
{
type reversibleArrheniusReaction;
reaction "iC4H8 + O = CH3 + CH3 + CH2CO";
A 120000;
beta 1.65;
Ta 164.544;
}
un-named-reaction-572
{
type reversibleArrheniusReaction;
reaction "iC4H8 + O = iC3H7 + HCO";
A 35000;
beta 1.65;
Ta -489.102;
}
un-named-reaction-573
{
type reversibleArrheniusReaction;
reaction "iC4H8 + O = iC4H7 + OH";
A 290;
beta 2.5;
Ta 1831.62;
}
un-named-reaction-574
{
type reversibleArrheniusReaction;
reaction "iC4H8 + OH = iC4H7 + H2O";
A 150000;
beta 1.53;
Ta 389.973;
}
un-named-reaction-575
{
type reversibleArrheniusReaction;
reaction "iC4H8 + HO2 = iC4H7 + H2O2";
A 20;
beta 2.55;
Ta 7799.46;
}
un-named-reaction-576
{
type reversibleArrheniusReaction;
reaction "iC4H8 + O2 = iC4H7 + HO2";
A 2.7e+10;
beta 0;
Ta 25612.4;
}
un-named-reaction-577
{
type reversibleArrheniusReaction;
reaction "iC4H8 + CH3 = iC4H7 + CH4";
A 0.00091;
beta 3.65;
Ta 3597.82;
}
un-named-reaction-578
{
type reversibleArrheniusReaction;
reaction "C2H4 + C2H5 = pC4H9";
A 1.5e+08;
beta 0;
Ta 3673.3;
}
un-named-reaction-579
{
type reversibleArrheniusTroeFallOffReaction;
reaction "pC4H9 + H = C4H10";
k0
{
A 3.01e+42;
beta -9.32;
Ta 2935.42;
}
kInf
{
A 3.6e+10;
beta 0;
Ta 0;
}
F
{
alpha 0.498;
Tsss 1314;
Ts 1314;
Tss 50000;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-580
{
type reversibleArrheniusReaction;
reaction "pC4H9 + H = C2H5 + C2H5";
A 3.7e+21;
beta -2.92;
Ta 6292.41;
}
un-named-reaction-581
{
type reversibleArrheniusReaction;
reaction "pC4H9 + H = C4H81 + H2";
A 1.8e+09;
beta 0;
Ta 0;
}
un-named-reaction-582
{
type reversibleArrheniusReaction;
reaction "pC4H9 + O = nC3H7 + CH2O";
A 9.6e+10;
beta 0;
Ta 0;
}
un-named-reaction-583
{
type reversibleArrheniusReaction;
reaction "pC4H9 + OH = C4H81 + H2O";
A 2.4e+10;
beta 0;
Ta 0;
}
un-named-reaction-584
{
type reversibleArrheniusReaction;
reaction "pC4H9 + O2 = C4H81 + HO2";
A 2.7e+08;
beta 0;
Ta 0;
}
un-named-reaction-585
{
type reversibleArrheniusReaction;
reaction "pC4H9 + HO2 = nC3H7 + OH + CH2O";
A 2.4e+10;
beta 0;
Ta 0;
}
un-named-reaction-586
{
type reversibleArrheniusReaction;
reaction "pC4H9 + HCO = C4H10 + CO";
A 9e+10;
beta 0;
Ta 0;
}
un-named-reaction-587
{
type reversibleArrheniusReaction;
reaction "pC4H9 + CH3 = C4H81 + CH4";
A 1.1e+10;
beta 0;
Ta 0;
}
un-named-reaction-588
{
type reversibleArrheniusTroeFallOffReaction;
reaction "C3H6 + CH3 = sC4H9";
k0
{
A 2.31e+22;
beta -4.27;
Ta 921.343;
}
kInf
{
A 1.7e+08;
beta 0;
Ta 3725.43;
}
F
{
alpha 0.565;
Tsss 60000;
Ts 534.2;
Tss 3007.2;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-589
{
type reversibleArrheniusTroeFallOffReaction;
reaction "sC4H9 + H = C4H10";
k0
{
A 1.7e+52;
beta -12.08;
Ta 5667.8;
}
kInf
{
A 2.4e+10;
beta 0;
Ta 0;
}
F
{
alpha 0.649;
Tsss 1213.1;
Ts 1213.1;
Tss 13369.7;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-590
{
type reversibleArrheniusReaction;
reaction "sC4H9 + H = C2H5 + C2H5";
A 1.4e+25;
beta -3.94;
Ta 8008.79;
}
un-named-reaction-591
{
type reversibleArrheniusReaction;
reaction "sC4H9 + H = C4H81 + H2";
A 3.2e+09;
beta 0;
Ta 0;
}
un-named-reaction-592
{
type reversibleArrheniusReaction;
reaction "sC4H9 + H = C4H82 + H2";
A 2.1e+09;
beta 0;
Ta 0;
}
un-named-reaction-593
{
type reversibleArrheniusReaction;
reaction "sC4H9 + O = CH3CHO + C2H5";
A 9.6e+10;
beta 0;
Ta 0;
}
un-named-reaction-594
{
type reversibleArrheniusReaction;
reaction "sC4H9 + OH = C4H81 + H2O";
A 2.4e+10;
beta 0;
Ta 0;
}
un-named-reaction-595
{
type reversibleArrheniusReaction;
reaction "sC4H9 + OH = C4H82 + H2O";
A 1.6e+10;
beta 0;
Ta 0;
}
un-named-reaction-596
{
type reversibleArrheniusReaction;
reaction "sC4H9 + O2 = C4H81 + HO2";
A 5.1e+07;
beta 0;
Ta 0;
}
un-named-reaction-597
{
type reversibleArrheniusReaction;
reaction "sC4H9 + O2 = C4H82 + HO2";
A 1.2e+08;
beta 0;
Ta 0;
}
un-named-reaction-598
{
type reversibleArrheniusReaction;
reaction "sC4H9 + HO2 = CH3CHO + C2H5 + OH";
A 2.4e+10;
beta 0;
Ta 0;
}
un-named-reaction-599
{
type reversibleArrheniusReaction;
reaction "sC4H9 + HCO = C4H10 + CO";
A 1.2e+11;
beta 0;
Ta 0;
}
un-named-reaction-600
{
type reversibleArrheniusReaction;
reaction "sC4H9 + CH3 = CH4 + C4H81";
A 2.2e+11;
beta -0.68;
Ta 0;
}
un-named-reaction-601
{
type reversibleArrheniusReaction;
reaction "sC4H9 + CH3 = CH4 + C4H82";
A 1.5e+11;
beta -0.68;
Ta 0;
}
un-named-reaction-602
{
type reversibleArrheniusTroeFallOffReaction;
reaction "C3H6 + CH3 = iC4H9";
k0
{
A 1.3e+22;
beta -4.27;
Ta 1223.31;
}
kInf
{
A 9.6e+07;
beta 0;
Ta 4027.34;
}
F
{
alpha 0.565;
Tsss 60000;
Ts 534.2;
Tss 3007.2;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-603
{
type reversibleArrheniusTroeFallOffReaction;
reaction "iC4H9 + H = iC4H10";
k0
{
A 3.27e+50;
beta -11.74;
Ta 3235.92;
}
kInf
{
A 3.6e+10;
beta 0;
Ta 0;
}
F
{
alpha 0.506;
Tsss 1266.6;
Ts 1266.6;
Tss 50000;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-604
{
type reversibleArrheniusReaction;
reaction "iC4H9 + H = iC3H7 + CH3";
A 1.9e+32;
beta -5.83;
Ta 11306.7;
}
un-named-reaction-605
{
type reversibleArrheniusReaction;
reaction "iC4H9 + H = iC4H8 + H2";
A 9e+08;
beta 0;
Ta 0;
}
un-named-reaction-606
{
type reversibleArrheniusReaction;
reaction "iC4H9 + O = iC3H7 + CH2O";
A 9.6e+10;
beta 0;
Ta 0;
}
un-named-reaction-607
{
type reversibleArrheniusReaction;
reaction "iC4H9 + OH = iC4H8 + H2O";
A 1.2e+10;
beta 0;
Ta 0;
}
un-named-reaction-608
{
type reversibleArrheniusReaction;
reaction "iC4H9 + O2 = iC4H8 + HO2";
A 2.4e+07;
beta 0;
Ta 0;
}
un-named-reaction-609
{
type reversibleArrheniusReaction;
reaction "iC4H9 + HO2 = iC3H7 + CH2O + OH";
A 2.41e+10;
beta 0;
Ta 0;
}
un-named-reaction-610
{
type reversibleArrheniusReaction;
reaction "iC4H9 + HCO = iC4H10 + CO";
A 3.6e+10;
beta 0;
Ta 0;
}
un-named-reaction-611
{
type reversibleArrheniusReaction;
reaction "iC4H9 + CH3 = iC4H8 + CH4";
A 6e+09;
beta -0.32;
Ta 0;
}
un-named-reaction-612
{
type reversibleArrheniusTroeFallOffReaction;
reaction "tC4H9 = iC4H8 + H";
k0
{
A 1.9e+38;
beta -7.36;
Ta 18432.8;
}
kInf
{
A 8.3e+13;
beta 0;
Ta 19196.9;
}
F
{
alpha 0.293;
Tsss 649;
Ts 60000;
Tss 3425.9;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-613
{
type reversibleArrheniusTroeFallOffReaction;
reaction "tC4H9 + H = iC4H10";
k0
{
A 1.47e+55;
beta -12.94;
Ta 4025.53;
}
kInf
{
A 2.4e+10;
beta 0;
Ta 0;
}
F
{
alpha 0;
Tsss 1456.4;
Ts 1000;
Tss 10000.5;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-614
{
type reversibleArrheniusReaction;
reaction "tC4H9 + H = iC3H7 + CH3";
A 2.6e+33;
beta -6.12;
Ta 12901.8;
}
un-named-reaction-615
{
type reversibleArrheniusReaction;
reaction "tC4H9 + H = iC4H8 + H2";
A 5.42e+09;
beta 0;
Ta 0;
}
un-named-reaction-616
{
type reversibleArrheniusReaction;
reaction "tC4H9 + O = iC4H8 + OH";
A 1.8e+11;
beta 0;
Ta 0;
}
un-named-reaction-617
{
type reversibleArrheniusReaction;
reaction "tC4H9 + O = CH3COCH3 + CH3";
A 1.8e+11;
beta 0;
Ta 0;
}
un-named-reaction-618
{
type reversibleArrheniusReaction;
reaction "tC4H9 + OH = iC4H8 + H2O";
A 1.8e+10;
beta 0;
Ta 0;
}
un-named-reaction-619
{
type reversibleArrheniusReaction;
reaction "tC4H9 + O2 = iC4H8 + HO2";
A 4.8e+08;
beta 0;
Ta 0;
}
un-named-reaction-620
{
type reversibleArrheniusReaction;
reaction "tC4H9 + HO2 = CH3 + CH3COCH3 + OH";
A 1.8e+10;
beta 0;
Ta 0;
}
un-named-reaction-621
{
type reversibleArrheniusReaction;
reaction "tC4H9 + HCO = iC4H10 + CO";
A 6e+10;
beta 0;
Ta 0;
}
un-named-reaction-622
{
type reversibleArrheniusReaction;
reaction "tC4H9 + CH3 = iC4H8 + CH4";
A 3.8e+12;
beta -1;
Ta 0;
}
un-named-reaction-623
{
type reversibleArrheniusReaction;
reaction "CH3COCH3 + H = H2 + CH2CO + CH3";
A 1300;
beta 2.54;
Ta 3399.56;
}
un-named-reaction-624
{
type reversibleArrheniusReaction;
reaction "CH3COCH3 + O = OH + CH2CO + CH3";
A 190;
beta 2.68;
Ta 1869.86;
}
un-named-reaction-625
{
type reversibleArrheniusReaction;
reaction "CH3COCH3 + OH = H2O + CH2CO + CH3";
A 32000;
beta 1.8;
Ta 469.981;
}
un-named-reaction-626
{
type reversibleArrheniusReaction;
reaction "CH3 + CH3CO = CH3COCH3";
A 4e+12;
beta -0.8;
Ta 0;
}
un-named-reaction-627
{
type reversibleArrheniusTroeFallOffReaction;
reaction "nC3H7 + CH3 = C4H10";
k0
{
A 2.68e+55;
beta -13.24;
Ta 3019.15;
}
kInf
{
A 1.93e+11;
beta -0.32;
Ta 0;
}
F
{
alpha 1;
Tsss 1000;
Ts 1433.9;
Tss 5328.8;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-628
{
type reversibleArrheniusTroeFallOffReaction;
reaction "C2H5 + C2H5 = C4H10";
k0
{
A 2.61e+55;
beta -13.42;
Ta 3019.15;
}
kInf
{
A 1.88e+11;
beta -0.5;
Ta 0;
}
F
{
alpha 1;
Tsss 1000;
Ts 1433.9;
Tss 5328.8;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-629
{
type reversibleArrheniusReaction;
reaction "C4H10 + H = pC4H9 + H2";
A 920;
beta 2.54;
Ta 3399.56;
}
un-named-reaction-630
{
type reversibleArrheniusReaction;
reaction "C4H10 + H = sC4H9 + H2";
A 2400;
beta 2.4;
Ta 2249.77;
}
un-named-reaction-631
{
type reversibleArrheniusReaction;
reaction "C4H10 + O = pC4H9 + OH";
A 4900;
beta 2.4;
Ta 2767.55;
}
un-named-reaction-632
{
type reversibleArrheniusReaction;
reaction "C4H10 + O = sC4H9 + OH";
A 430;
beta 2.6;
Ta 1298.23;
}
un-named-reaction-633
{
type reversibleArrheniusReaction;
reaction "C4H10 + OH = pC4H9 + H2O";
A 33000;
beta 1.8;
Ta 480.044;
}
un-named-reaction-634
{
type reversibleArrheniusReaction;
reaction "C4H10 + OH = sC4H9 + H2O";
A 5400;
beta 2;
Ta -299.902;
}
un-named-reaction-635
{
type reversibleArrheniusReaction;
reaction "C4H10 + O2 = pC4H9 + HO2";
A 4e+10;
beta 0;
Ta 25627.5;
}
un-named-reaction-636
{
type reversibleArrheniusReaction;
reaction "C4H10 + O2 = sC4H9 + HO2";
A 8e+10;
beta 0;
Ta 23946.9;
}
un-named-reaction-637
{
type reversibleArrheniusReaction;
reaction "C4H10 + HO2 = pC4H9 + H2O2";
A 47.6;
beta 2.55;
Ta 8297.62;
}
un-named-reaction-638
{
type reversibleArrheniusReaction;
reaction "C4H10 + HO2 = sC4H9 + H2O2";
A 19;
beta 2.6;
Ta 6999.39;
}
un-named-reaction-639
{
type reversibleArrheniusReaction;
reaction "C4H10 + CH3 = pC4H9 + CH4";
A 0.000903;
beta 3.65;
Ta 3599.33;
}
un-named-reaction-640
{
type reversibleArrheniusReaction;
reaction "C4H10 + CH3 = sC4H9 + CH4";
A 0.003;
beta 3.46;
Ta 2757.49;
}
un-named-reaction-641
{
type reversibleArrheniusTroeFallOffReaction;
reaction "iC3H7 + CH3 = iC4H10";
k0
{
A 4.16e+55;
beta -13.33;
Ta 1964.16;
}
kInf
{
A 1.4e+12;
beta -0.68;
Ta 0;
}
F
{
alpha 0.931;
Tsss 60000;
Ts 1265.3;
Tss 5469.8;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 0.7)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-642
{
type reversibleArrheniusReaction;
reaction "iC4H10 + H = iC4H9 + H2";
A 1800;
beta 2.54;
Ta 3401.57;
}
un-named-reaction-643
{
type reversibleArrheniusReaction;
reaction "iC4H10 + H = tC4H9 + H2";
A 600;
beta 2.4;
Ta 1298.23;
}
un-named-reaction-644
{
type reversibleArrheniusReaction;
reaction "iC4H10 + O = iC4H9 + OH";
A 430;
beta 2.5;
Ta 1831.62;
}
un-named-reaction-645
{
type reversibleArrheniusReaction;
reaction "iC4H10 + O = tC4H9 + OH";
A 157;
beta 2.5;
Ta 558.542;
}
un-named-reaction-646
{
type reversibleArrheniusReaction;
reaction "iC4H10 + OH = iC4H9 + H2O";
A 230000;
beta 1.53;
Ta 389.973;
}
un-named-reaction-647
{
type reversibleArrheniusReaction;
reaction "iC4H10 + OH = tC4H9 + H2O";
A 5.73e+07;
beta 0.51;
Ta 32.2042;
}
un-named-reaction-648
{
type reversibleArrheniusReaction;
reaction "iC4H10 + HO2 = iC4H9 + H2O2";
A 30;
beta 2.55;
Ta 7799.46;
}
un-named-reaction-649
{
type reversibleArrheniusReaction;
reaction "iC4H10 + HO2 = tC4H9 + H2O2";
A 3.6;
beta 2.55;
Ta 5283.51;
}
un-named-reaction-650
{
type reversibleArrheniusReaction;
reaction "iC4H10 + O2 = iC4H9 + HO2";
A 4e+10;
beta 0;
Ta 25612.4;
}
un-named-reaction-651
{
type reversibleArrheniusReaction;
reaction "iC4H10 + O2 = tC4H9 + HO2";
A 4e+10;
beta 0;
Ta 22140.4;
}
un-named-reaction-652
{
type reversibleArrheniusReaction;
reaction "iC4H10 + CH3 = iC4H9 + CH4";
A 0.00136;
beta 3.65;
Ta 3597.82;
}
un-named-reaction-653
{
type reversibleArrheniusReaction;
reaction "iC4H10 + CH3 = tC4H9 + CH4";
A 0.0009;
beta 3.46;
Ta 2314.68;
}
un-named-reaction-654
{
type reversibleArrheniusReaction;
reaction "C6H2 + H = C6H3";
A 1.1e+27;
beta -4.92;
Ta 5434.47;
}
un-named-reaction-655
{
type reversibleArrheniusReaction;
reaction "C6H3 + H = C4H2 + C2H2";
A 2.8e+20;
beta -2.55;
Ta 5424.4;
}
un-named-reaction-656
{
type reversibleArrheniusReaction;
reaction "C6H3 + H = l-C6H4";
A 3.4e+40;
beta -9.01;
Ta 6098.68;
}
un-named-reaction-657
{
type reversibleArrheniusReaction;
reaction "C6H3 + H = C6H2 + H2";
A 3e+10;
beta 0;
Ta 0;
}
un-named-reaction-658
{
type reversibleArrheniusReaction;
reaction "C6H3 + OH = C6H2 + H2O";
A 4e+09;
beta 0;
Ta 0;
}
un-named-reaction-659
{
type reversibleArrheniusReaction;
reaction "l-C6H4 + H = C6H5";
A 1.7e+75;
beta -19.72;
Ta 15800.2;
}
un-named-reaction-660
{
type reversibleArrheniusReaction;
reaction "l-C6H4 + H = o-C6H4 + H";
A 1.4e+51;
beta -11.7;
Ta 17360.1;
}
un-named-reaction-661
{
type reversibleArrheniusReaction;
reaction "l-C6H4 + H = C6H3 + H2";
A 1330;
beta 2.53;
Ta 4649.49;
}
un-named-reaction-662
{
type reversibleArrheniusReaction;
reaction "l-C6H4 + OH = C6H3 + H2O";
A 3100;
beta 2;
Ta 216.372;
}
un-named-reaction-663
{
type reversibleArrheniusReaction;
reaction "C4H2 + C2H2 = o-C6H4";
A 5e+75;
beta -19.31;
Ta 34176.7;
}
un-named-reaction-664
{
type reversibleArrheniusReaction;
reaction "o-C6H4 + OH = CO + C5H5";
A 1e+10;
beta 0;
Ta 0;
}
un-named-reaction-665
{
type reversibleArrheniusReaction;
reaction "C6H5 + CH3 = C6H5CH3";
A 1.38e+10;
beta 0;
Ta 23.1468;
}
un-named-reaction-666
{
type reversibleArrheniusReaction;
reaction "C6H5CH3 + O2 = C6H5CH2 + HO2";
A 3e+11;
beta 0;
Ta 21633.2;
}
un-named-reaction-667
{
type reversibleArrheniusReaction;
reaction "C6H5CH3 + OH = C6H5CH2 + H2O";
A 1.62e+10;
beta 0;
Ta 1393.84;
}
un-named-reaction-668
{
type reversibleArrheniusReaction;
reaction "C6H5CH3 + OH = C6H4CH3 + H2O";
A 133300;
beta 1.42;
Ta 729.627;
}
un-named-reaction-669
{
type reversibleArrheniusReaction;
reaction "C6H5CH3 + H = C6H5CH2 + H2";
A 1.259e+11;
beta 0;
Ta 4206.18;
}
un-named-reaction-670
{
type reversibleArrheniusReaction;
reaction "C6H5CH3 + H = C6H6 + CH3";
A 1930;
beta 2.17;
Ta 2094.79;
}
un-named-reaction-671
{
type reversibleArrheniusReaction;
reaction "C6H5CH3 + O = OC6H4CH3 + H";
A 2.6e+10;
beta 0;
Ta 1909.61;
}
un-named-reaction-672
{
type reversibleArrheniusReaction;
reaction "C6H5CH3 + CH3 = C6H5CH2 + CH4";
A 3.16e+08;
beta 0;
Ta 4780.32;
}
un-named-reaction-673
{
type reversibleArrheniusReaction;
reaction "C6H5CH3 + C6H5 = C6H5CH2 + C6H6";
A 2.103e+09;
beta 0;
Ta 2214.04;
}
un-named-reaction-674
{
type reversibleArrheniusReaction;
reaction "C6H5CH3 + HO2 = C6H5CH2 + H2O2";
A 3.975e+08;
beta 0;
Ta 7079.4;
}
un-named-reaction-675
{
type reversibleArrheniusReaction;
reaction "C6H5CH3 + HO2 = C6H4CH3 + H2O2";
A 5.42e+09;
beta 0;
Ta 14496.9;
}
un-named-reaction-676
{
type reversibleArrheniusTroeFallOffReaction;
reaction "C6H5CH2 + H = C6H5CH3";
k0
{
A 1.1e+97;
beta -24.63;
Ta 7341.56;
}
kInf
{
A 1e+11;
beta 0;
Ta 0;
}
F
{
alpha 0.431;
Tsss 383;
Ts 152;
Tss 4730;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 1)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 3)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-677
{
type reversibleArrheniusReaction;
reaction "C6H5CH2 + H = C6H5 + CH3";
A 1.5e+63;
beta -13.94;
Ta 32496.1;
}
un-named-reaction-678
{
type reversibleArrheniusReaction;
reaction "C6H5CH2 + O = C6H5CHO + H";
A 4e+11;
beta 0;
Ta 0;
}
un-named-reaction-679
{
type reversibleArrheniusReaction;
reaction "C6H5CH2 + OH = C6H5CH2OH";
A 2e+10;
beta 0;
Ta 0;
}
un-named-reaction-680
{
type reversibleArrheniusReaction;
reaction "C6H5CH2 + HO2 = C6H5CHO + H + OH";
A 5e+09;
beta 0;
Ta 0;
}
un-named-reaction-681
{
type reversibleArrheniusReaction;
reaction "C6H5CH2 + C6H5OH = C6H5CH3 + C6H5O";
A 1.05e+08;
beta 0;
Ta 4780.32;
}
un-named-reaction-682
{
type reversibleArrheniusReaction;
reaction "C6H5CH2 + HOC6H4CH3 = C6H5CH3 + OC6H4CH3";
A 1.05e+08;
beta 0;
Ta 4780.32;
}
un-named-reaction-683
{
type reversibleArrheniusReaction;
reaction "C6H5CH2OH + OH = C6H5CHO + H2O + H";
A 5e+09;
beta 0;
Ta 0;
}
un-named-reaction-684
{
type reversibleArrheniusReaction;
reaction "C6H5CH2OH + H = C6H5CHO + H2 + H";
A 8e+10;
beta 0;
Ta 4143.78;
}
un-named-reaction-685
{
type reversibleArrheniusReaction;
reaction "C6H5CH2OH + H = C6H6 + CH2OH";
A 1.2e+10;
beta 0;
Ta 2590.43;
}
un-named-reaction-686
{
type reversibleArrheniusReaction;
reaction "C6H5CH2OH + C6H5 = C6H5CHO + C6H6 + H";
A 1.4e+09;
beta 0;
Ta 2214.04;
}
un-named-reaction-687
{
type reversibleArrheniusReaction;
reaction "C6H5 + HCO = C6H5CHO";
A 1e+10;
beta 0;
Ta 0;
}
un-named-reaction-688
{
type reversibleArrheniusReaction;
reaction "C6H5CHO = C6H5CO + H";
A 3.98e+15;
beta 0;
Ta 43727.3;
}
un-named-reaction-689
{
type reversibleArrheniusReaction;
reaction "C6H5CHO + O2 = C6H5CO + HO2";
A 1.02e+10;
beta 0;
Ta 19599.3;
}
un-named-reaction-690
{
type reversibleArrheniusReaction;
reaction "C6H5CHO + OH = C6H5CO + H2O";
A 2.35e+07;
beta 0.73;
Ta -558.542;
}
un-named-reaction-691
{
type reversibleArrheniusReaction;
reaction "C6H5CHO + H = C6H5CO + H2";
A 4.1e+06;
beta 1.16;
Ta 1207.66;
}
un-named-reaction-692
{
type reversibleArrheniusReaction;
reaction "C6H5CHO + H = C6H6 + HCO";
A 1930;
beta 2.17;
Ta 2094.79;
}
un-named-reaction-693
{
type reversibleArrheniusReaction;
reaction "C6H5CHO + O = C6H5CO + OH";
A 5.8e+09;
beta 0;
Ta 905.744;
}
un-named-reaction-694
{
type reversibleArrheniusReaction;
reaction "C6H5CHO + C6H5CH2 = C6H5CO + C6H5CH3";
A 2e-09;
beta 5.6;
Ta 1237.85;
}
un-named-reaction-695
{
type reversibleArrheniusReaction;
reaction "C6H5CHO + CH3 = C6H5CO + CH4";
A 2e-09;
beta 5.6;
Ta 1237.85;
}
un-named-reaction-696
{
type reversibleArrheniusReaction;
reaction "C6H5CHO + C6H5 = C6H5CO + C6H6";
A 2.103e+09;
beta 0;
Ta 2214.04;
}
un-named-reaction-697
{
type reversibleArrheniusReaction;
reaction "C6H5CO + H2O2 = C6H5CHO + HO2";
A 1.8e+08;
beta 0;
Ta 4139.25;
}
un-named-reaction-698
{
type reversibleArrheniusTroeFallOffReaction;
reaction "OC6H4CH3 + H = HOC6H4CH3";
k0
{
A 4e+87;
beta -21.84;
Ta 6984.29;
}
kInf
{
A 1e+11;
beta 0;
Ta 0;
}
F
{
alpha 0.043;
Tsss 304.2;
Ts 60000;
Tss 5896.4;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 1)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 1)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-699
{
type reversibleArrheniusReaction;
reaction "OC6H4CH3 + H = C6H5O + CH3";
A 1930;
beta 2.17;
Ta 2094.79;
}
un-named-reaction-700
{
type reversibleArrheniusReaction;
reaction "OC6H4CH3 + O = C6H4O2 + CH3";
A 8e+10;
beta 0;
Ta 0;
}
un-named-reaction-701
{
type reversibleArrheniusReaction;
reaction "HOC6H4CH3 + OH = OC6H4CH3 + H2O";
A 6e+09;
beta 0;
Ta 0;
}
un-named-reaction-702
{
type reversibleArrheniusReaction;
reaction "HOC6H4CH3 + H = OC6H4CH3 + H2";
A 1.15e+11;
beta 0;
Ta 6239.57;
}
un-named-reaction-703
{
type reversibleArrheniusReaction;
reaction "HOC6H4CH3 + H = C6H5CH3 + OH";
A 2.21e+10;
beta 0;
Ta 3980.24;
}
un-named-reaction-704
{
type reversibleArrheniusReaction;
reaction "HOC6H4CH3 + H = C6H5OH + CH3";
A 1.2e+10;
beta 0;
Ta 2590.43;
}
un-named-reaction-705
{
type reversibleArrheniusReaction;
reaction "C6H5CO = C6H5 + CO";
A 5.27e+14;
beta 0;
Ta 14599.1;
}
un-named-reaction-706
{
type reversibleArrheniusTroeFallOffReaction;
reaction "C6H5 + H = C6H6";
k0
{
A 6.6e+69;
beta -16.3;
Ta 3522.34;
}
kInf
{
A 1e+11;
beta 0;
Ta 0;
}
F
{
alpha 1;
Tsss 0.1;
Ts 584.9;
Tss 6113;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 1)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 1)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-707
{
type reversibleArrheniusReaction;
reaction "C6H6 + OH = C6H5 + H2O";
A 398.5;
beta 2.286;
Ta 532.376;
}
un-named-reaction-708
{
type reversibleArrheniusReaction;
reaction "C6H6 + OH = C6H5OH + H";
A 1.3e+10;
beta 0;
Ta 5333.83;
}
un-named-reaction-709
{
type reversibleArrheniusReaction;
reaction "C6H6 + O = C6H5O + H";
A 1.39e+10;
beta 0;
Ta 2470.67;
}
un-named-reaction-710
{
type reversibleArrheniusReaction;
reaction "C6H6 + O = C5H5 + HCO";
A 1.39e+10;
beta 0;
Ta 2279.46;
}
un-named-reaction-711
{
type reversibleArrheniusReaction;
reaction "C6H5 + H2 = C6H6 + H";
A 57.07;
beta 2.43;
Ta 3156.52;
}
un-named-reaction-712
{
type reversibleArrheniusTroeFallOffReaction;
reaction "C6H5 = o-C6H4 + H";
k0
{
A 1e+81;
beta -18.866;
Ta 45319.4;
}
kInf
{
A 4.3e+12;
beta 0.616;
Ta 38903.2;
}
F
{
alpha 0.902;
Tsss 696;
Ts 358;
Tss 3856;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 1)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 1)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-713
{
type reversibleArrheniusReaction;
reaction "C6H5 + H = o-C6H4 + H2";
A 2e+08;
beta 1.1;
Ta 12328.2;
}
un-named-reaction-714
{
type reversibleArrheniusReaction;
reaction "C6H5 + O2 = C6H5O + O";
A 2.6e+10;
beta 0;
Ta 3079.53;
}
un-named-reaction-715
{
type reversibleArrheniusReaction;
reaction "C6H5 + O2 = C6H4O2 + H";
A 3e+10;
beta 0;
Ta 4518.66;
}
un-named-reaction-716
{
type reversibleArrheniusReaction;
reaction "C6H5 + O = C5H5 + CO";
A 1e+11;
beta 0;
Ta 0;
}
un-named-reaction-717
{
type reversibleArrheniusReaction;
reaction "C6H5 + OH = C6H5O + H";
A 3e+10;
beta 0;
Ta 0;
}
un-named-reaction-718
{
type reversibleArrheniusReaction;
reaction "C6H5 + HO2 = C6H5O + OH";
A 3e+10;
beta 0;
Ta 0;
}
un-named-reaction-719
{
type reversibleArrheniusReaction;
reaction "C6H5 + HO2 = C6H6 + O2";
A 1e+09;
beta 0;
Ta 0;
}
un-named-reaction-720
{
type reversibleArrheniusReaction;
reaction "C6H5 + CH4 = C6H6 + CH3";
A 3.89e-06;
beta 4.57;
Ta 2644.77;
}
un-named-reaction-721
{
type reversibleArrheniusReaction;
reaction "C6H5 + C2H6 = C6H6 + C2H5";
A 2.1e+08;
beta 0;
Ta 2235.68;
}
un-named-reaction-722
{
type reversibleArrheniusReaction;
reaction "C6H5 + CH2O = C6H6 + HCO";
A 85.5;
beta 2.19;
Ta 19.1213;
}
un-named-reaction-723
{
type reversibleArrheniusReaction;
reaction "C6H4O2 = C5H4O + CO";
A 7.4e+11;
beta 0;
Ta 29688.3;
}
un-named-reaction-724
{
type reversibleArrheniusReaction;
reaction "C6H4O2 + H = CO + C5H5O-13";
A 4.3e+06;
beta 1.45;
Ta 1962.45;
}
un-named-reaction-725
{
type reversibleArrheniusReaction;
reaction "C6H4O2 + O = 2CO + C2H2 + CH2CO";
A 3e+10;
beta 0;
Ta 2515.96;
}
un-named-reaction-726
{
type reversibleArrheniusReaction;
reaction "C6H5O + H = C5H5 + HCO";
A 1e+10;
beta 0;
Ta 6038.29;
}
un-named-reaction-727
{
type reversibleArrheniusReaction;
reaction "C6H5O + H = C5H6 + CO";
A 5e+10;
beta 0;
Ta 0;
}
un-named-reaction-728
{
type reversibleArrheniusReaction;
reaction "C6H5O = CO + C5H5";
A 3.76e+54;
beta -12.06;
Ta 36632.3;
}
un-named-reaction-729
{
type reversibleArrheniusReaction;
reaction "C6H5O + O = C6H4O2 + H";
A 2.6e+07;
beta 0.47;
Ta 400.037;
}
un-named-reaction-730
{
type reversibleArrheniusReaction;
reaction "C6H5OH = C5H6 + CO";
A 1e+12;
beta 0;
Ta 30598.1;
}
un-named-reaction-731
{
type reversibleArrheniusReaction;
reaction "C6H5OH + OH = C6H5O + H2O";
A 2950;
beta 2;
Ta -660.187;
}
un-named-reaction-732
{
type reversibleArrheniusReaction;
reaction "C6H5OH + H = C6H5O + H2";
A 1.15e+11;
beta 0;
Ta 6238.56;
}
un-named-reaction-733
{
type reversibleArrheniusReaction;
reaction "C6H5OH + O = C6H5O + OH";
A 2.81e+10;
beta 0;
Ta 3699.46;
}
un-named-reaction-734
{
type reversibleArrheniusReaction;
reaction "C6H5OH + C2H3 = C6H5O + C2H4";
A 6e+09;
beta 0;
Ta 0;
}
un-named-reaction-735
{
type reversibleArrheniusReaction;
reaction "C6H5OH + nC4H5 = C6H5O + C4H6";
A 6e+09;
beta 0;
Ta 0;
}
un-named-reaction-736
{
type reversibleArrheniusReaction;
reaction "C6H5OH + C6H5 = C6H5O + C6H6";
A 4.91e+09;
beta 0;
Ta 2214.04;
}
un-named-reaction-737
{
type reversibleArrheniusReaction;
reaction "C5H6 + H = C2H2 + aC3H5";
A 7.74e+33;
beta -6.18;
Ta 16550;
}
un-named-reaction-738
{
type reversibleArrheniusReaction;
reaction "C5H6 + H = lC5H7";
A 8.27e+123;
beta -32.3;
Ta 41436.8;
}
un-named-reaction-739
{
type reversibleArrheniusReaction;
reaction "C5H6 + H = C5H5 + H2";
A 303000;
beta 1.71;
Ta 2812.84;
}
un-named-reaction-740
{
type reversibleArrheniusReaction;
reaction "C5H6 + O = C5H5 + OH";
A 47.7;
beta 2.71;
Ta 556.53;
}
un-named-reaction-741
{
type reversibleArrheniusReaction;
reaction "C5H6 + O = C5H5O-13 + H";
A 8.91e+09;
beta -0.15;
Ta 296.883;
}
un-named-reaction-742
{
type reversibleArrheniusReaction;
reaction "C5H6 + O = C5H5O-13 + H";
A 5.6e+09;
beta -0.06;
Ta 100.638;
}
un-named-reaction-743
{
type reversibleArrheniusReaction;
reaction "C5H6 + O = nC4H5 + CO + H";
A 8.7e+48;
beta -11.09;
Ta 16726.1;
}
un-named-reaction-744
{
type reversibleArrheniusReaction;
reaction "C5H6 + OH = C5H5 + H2O";
A 3080;
beta 2;
Ta 0;
}
un-named-reaction-745
{
type reversibleArrheniusReaction;
reaction "C5H6 + HO2 = C5H5 + H2O2";
A 11;
beta 2.6;
Ta 6491.17;
}
un-named-reaction-746
{
type reversibleArrheniusReaction;
reaction "C5H6 + O2 = C5H5 + HO2";
A 4e+10;
beta 0;
Ta 18693.6;
}
un-named-reaction-747
{
type reversibleArrheniusReaction;
reaction "C5H6 + HCO = C5H5 + CH2O";
A 108000;
beta 1.9;
Ta 8051.06;
}
un-named-reaction-748
{
type reversibleArrheniusReaction;
reaction "C5H6 + CH3 = C5H5 + CH4";
A 0.00018;
beta 4;
Ta 0;
}
un-named-reaction-749
{
type reversibleArrheniusTroeFallOffReaction;
reaction "C5H5 + H = C5H6";
k0
{
A 4.4e+74;
beta -18.28;
Ta 6538.47;
}
kInf
{
A 1e+11;
beta 0;
Ta 0;
}
F
{
alpha 0.068;
Tsss 400.7;
Ts 4135.8;
Tss 5501.9;
}
thirdBodyEfficiencies
{
coeffs
111
(
(AR 1)
(N2 1)
(H 1)
(O 1)
(OH 1)
(HO2 1)
(H2 2)
(H2O 6)
(H2O2 1)
(O2 1)
(C 1)
(CH 1)
(CH2 1)
(CH2* 1)
(CH3 1)
(CH4 2)
(HCO 1)
(CH2O 1)
(CH3O 1)
(CH2OH 1)
(CH3OH 1)
(CO 1.5)
(CO2 2)
(C2O 1)
(C2H 1)
(C2H2 1)
(H2CC 1)
(C2H3 1)
(C2H4 1)
(C2H5 1)
(C2H6 1)
(HCCO 1)
(HCCOH 1)
(CH2CO 1)
(CH3CO 1)
(CH2CHO 1)
(CH2OCH 1)
(CH3CHO 1)
(CH2OCH2 1)
(C3H3 1)
(pC3H4 1)
(aC3H4 1)
(cC3H4 1)
(aC3H5 1)
(CH3CCH2 1)
(CH3CHCH 1)
(C3H6 1)
(nC3H7 1)
(iC3H7 1)
(C3H8 1)
(CH2CHCO 1)
(C2H3CHO 1)
(CH3CHOCH2 1)
(CH3CH2CHO 1)
(CH3COCH3 1)
(C4H2 1)
(nC4H3 1)
(iC4H3 1)
(C4H4 1)
(nC4H5 1)
(iC4H5 1)
(C4H5-2 1)
(c-C4H5 1)
(C4H6 1)
(C4H612 1)
(C4H6-2 1)
(C4H7 1)
(iC4H7 1)
(C4H81 1)
(C4H82 1)
(iC4H8 1)
(pC4H9 1)
(sC4H9 1)
(iC4H9 1)
(tC4H9 1)
(C4H10 1)
(iC4H10 1)
(H2C4O 1)
(C4H4O 1)
(CH2CHCHCHO 1)
(CH3CHCHCO 1)
(C2H3CHOCH2 1)
(C4H6O23 1)
(CH3CHCHCHO 1)
(C4H6O25 1)
(C5H4O 1)
(C5H5O-13 1)
(C5H5O-24 1)
(C5H4OH 1)
(C5H5OH 1)
(C5H5 1)
(C5H6 1)
(lC5H7 1)
(C6H2 1)
(C6H3 1)
(l-C6H4 1)
(o-C6H4 1)
(C6H5 1)
(C6H6 1)
(C6H5CH2 1)
(C6H5CH3 1)
(C6H5C2H 1)
(C6H5O 1)
(C6H5OH 1)
(C6H4O2 1)
(C6H5CO 1)
(C6H5CHO 1)
(C6H5CH2OH 1)
(OC6H4CH3 1)
(HOC6H4CH3 1)
(C6H4CH3 1)
)
;
}
}
un-named-reaction-750
{
type reversibleArrheniusReaction;
reaction "C5H5 + O2 = C5H5O-24 + O";
A 7.78e+12;
beta -0.73;
Ta 24525.5;
}
un-named-reaction-751
{
type reversibleArrheniusReaction;
reaction "C5H5 + O = C5H5O-24";
A 1.12e-15;
beta 5.87;
Ta -8710.24;
}
un-named-reaction-752
{
type reversibleArrheniusReaction;
reaction "C5H5 + O = C5H4O + H";
A 5.81e+10;
beta -0.02;
Ta 10.0638;
}
un-named-reaction-753
{
type reversibleArrheniusReaction;
reaction "C5H5 + O = nC4H5 + CO";
A 3.2e+10;
beta -0.17;
Ta 221.404;
}
un-named-reaction-754
{
type reversibleArrheniusReaction;
reaction "C5H5 + OH = C5H4OH + H";
A 3.51e+54;
beta -12.18;
Ta 24329.3;
}
un-named-reaction-755
{
type reversibleArrheniusReaction;
reaction "C5H5 + OH = C5H5O-24 + H";
A 1.36e+48;
beta -10.46;
Ta 28732.2;
}
un-named-reaction-756
{
type reversibleArrheniusReaction;
reaction "C5H5 + HO2 = C5H5O-24 + OH";
A 6.27e+26;
beta -4.69;
Ta 5862.18;
}
un-named-reaction-757
{
type reversibleArrheniusReaction;
reaction "C5H5 + OH = C5H5OH";
A 6.49e+11;
beta -0.85;
Ta -1373.71;
}
un-named-reaction-758
{
type reversibleArrheniusReaction;
reaction "C5H5 + OH = C5H5OH";
A 1.15e+40;
beta -8.76;
Ta 9424.77;
}
un-named-reaction-759
{
type reversibleArrheniusReaction;
reaction "C5H5 + OH = C5H5OH";
A 1.06e+56;
beta -13.08;
Ta 16831.7;
}
un-named-reaction-760
{
type reversibleArrheniusReaction;
reaction "C5H5 + O2 = C5H4O + OH";
A 1.8e+09;
beta 0.08;
Ta 9057.44;
}
un-named-reaction-761
{
type reversibleArrheniusReaction;
reaction "C5H5OH + H = C5H5O-24 + H2";
A 1.15e+11;
beta 0;
Ta 7749.15;
}
un-named-reaction-762
{
type reversibleArrheniusReaction;
reaction "C5H5OH + H = C5H4OH + H2";
A 120;
beta 2.5;
Ta 750.761;
}
un-named-reaction-763
{
type reversibleArrheniusReaction;
reaction "C5H5OH + OH = C5H5O-24 + H2O";
A 6e+09;
beta 0;
Ta 0;
}
un-named-reaction-764
{
type reversibleArrheniusReaction;
reaction "C5H5OH + OH = C5H4OH + H2O";
A 3080;
beta 2;
Ta 0;
}
un-named-reaction-765
{
type reversibleArrheniusReaction;
reaction "C5H5O-24 + H = C5H5OH";
A 1e+11;
beta 0;
Ta 0;
}
un-named-reaction-766
{
type reversibleArrheniusReaction;
reaction "C5H5O-24 = C5H4O + H";
A 2e+13;
beta 0;
Ta 15095.7;
}
un-named-reaction-767
{
type reversibleArrheniusReaction;
reaction "C5H5O-24 + O2 = C5H4O + HO2";
A 1e+08;
beta 0;
Ta 0;
}
un-named-reaction-768
{
type reversibleArrheniusReaction;
reaction "C5H4O + H = C5H5O-13";
A 2e+10;
beta 0;
Ta 1006.38;
}
un-named-reaction-769
{
type reversibleArrheniusReaction;
reaction "C5H5O-13 = c-C4H5 + CO";
A 1e+12;
beta 0;
Ta 18114.9;
}
un-named-reaction-770
{
type reversibleArrheniusReaction;
reaction "C5H5O-13 + O2 = C5H4O + HO2";
A 1e+08;
beta 0;
Ta 0;
}
un-named-reaction-771
{
type reversibleArrheniusReaction;
reaction "C5H4OH = C5H4O + H";
A 2.1e+13;
beta 0;
Ta 24153.2;
}
un-named-reaction-772
{
type reversibleArrheniusReaction;
reaction "C5H4O = 2C2H2 + CO";
A 6.2e+41;
beta -7.87;
Ta 49665;
}
un-named-reaction-773
{
type reversibleArrheniusReaction;
reaction "C5H4O + H = CO + c-C4H5";
A 4.3e+06;
beta 1.45;
Ta 1962.45;
}
un-named-reaction-774
{
type reversibleArrheniusReaction;
reaction "C5H4O + O = CO + HCO + C3H3";
A 620000;
beta 1.45;
Ta -431.738;
}
un-named-reaction-775
{
type reversibleArrheniusReaction;
reaction "c-C4H5 + H = C4H6";
A 1e+10;
beta 0;
Ta 0;
}
un-named-reaction-776
{
type reversibleArrheniusReaction;
reaction "c-C4H5 + H = C2H4 + C2H2";
A 1e+10;
beta 0;
Ta 0;
}
un-named-reaction-777
{
type reversibleArrheniusReaction;
reaction "c-C4H5 + O = CH2CHO + C2H2";
A 1e+11;
beta 0;
Ta 0;
}
un-named-reaction-778
{
type reversibleArrheniusReaction;
reaction "c-C4H5 + O2 = CH2CHO + CH2CO";
A 4.8e+08;
beta 0;
Ta 9560.63;
}
un-named-reaction-779
{
type reversibleArrheniusReaction;
reaction "c-C4H5 = C4H4 + H";
A 3e+12;
beta 0;
Ta 26165.9;
}
un-named-reaction-780
{
type reversibleArrheniusReaction;
reaction "c-C4H5 = C2H3 + C2H2";
A 2e+12;
beta 0;
Ta 29185.1;
}
un-named-reaction-781
{
type reversibleArrheniusReaction;
reaction "aC3H5 + C2H3 = lC5H7 + H";
A 1e+10;
beta 0;
Ta 0;
}
un-named-reaction-782
{
type reversibleArrheniusReaction;
reaction "lC5H7 + O = C2H3CHO + C2H3";
A 5e+10;
beta 0;
Ta 0;
}
un-named-reaction-783
{
type reversibleArrheniusReaction;
reaction "lC5H7 + OH = C2H3CHO + C2H4";
A 2e+10;
beta 0;
Ta 0;
}
}
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