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BUTANE (N-BUTANE)
1.51D-17*TEMP@2*
exp
(190/TEMP)*0.147
OH +
NC4H10
=
NC4H9O2
1.51D-17*TEMP@2*
exp
(190/TEMP)*0.853
OH +
NC4H10
=
SC4H9O2
KRO2NO*0.60*0.967
NC4H9O2
+ NO =
NC4H9O
+ NO2
KRO2NO*0.60*0.033
NC4H9O2
+ NO =
NC4H9NO3
3.70D-14*
exp
(-460/TEMP)*O2
NC4H9O
=
C3H7CHO
+ HO2
1.30D+11*
exp
(-4127/TEMP)
NC4H9O =
HO1C4O2
KRO2NO*0.60*0.987
HO1C4O2
+ NO =
HO1C4O
+ NO2
KRO2NO*0.60*0.013
HO1C4O2
+ NO =
HO1C4NO3
8.4D+10*
exp
(-3523/TEMP)
HO1C4O =
HOC3H6CHO
+ HO2
KRO2NO3
NC4H9O2
+ NO3 =
NC4H9O
+ NO2
KRO2HO2*0.74
NC4H9O2
+ HO2 =
NC4H9OOH
1.30D-12*0.6*RO2
NC4H9O2
=
NC4H9O
1.30D-12*0.2*RO2
NC4H9O2
=
C3H7CHO
1.30D-12*0.2*RO2
NC4H9O2
=
NBUTOL
KRO2NO3
HO1C4O2
+ NO3 =
HO1C4O
+ NO2
KRO2HO2*0.74
HO1C4O2
+ HO2 =
HO1C4OOH
1.30D-12*0.6*RO2
HO1C4O2
=
HO1C4O
1.30D-12*0.2*RO2
HO1C4O2
=
HOC3H6CHO
1.30D-12*0.2*RO2
HO1C4O2
=
HOC4H8OH
1.78D-12
OH +
NC4H9NO3
=
C3H7CHO
+ NO2
J<53>
NC4H9NO3
=
NC4H9O
+ NO2
5.62D-12
OH +
HO1C4NO3
=
HOC3H6CHO
+ NO2
J<53>
HO1C4NO3
=
HO1C4O
+ NO2
1.90D-12*
exp
(190/TEMP)
OH +
NC4H9OOH
=
NC4H9O2
1.67D-11
OH +
NC4H9OOH
=
C3H7CHO
+ OH
J<41>
NC4H9OOH
=
NC4H9O
+ OH
1.90D-12*
exp
(190/TEMP)
OH +
HO1C4OOH
=
HO1C4O2
2.06D-11
OH +
HO1C4OOH
=
HOC3H6CHO
+ OH
J<41>
HO1C4OOH
=
HO1C4O
+ OH
1.02D-11
OH +
HOC4H8OH
=
HOC3H6CHO
+ HO2
J<15>
HOC3H6CHO
=
HO1C3O2
+ HO2 + CO
3.04D-11
OH +
HOC3H6CHO
=
HOC3H6CO3
KNO3AL
NO3 +
HOC3H6CHO
=
HOC3H6CO3
+ HNO3
KRO2NO*2.7
HOC3H6CO3
+ NO =
HO1C3O2
+ NO2
KRO2NO*0.71*0.981
HO1C3O2
+ NO =
HO1C3O
+ NO2
KRO2NO*0.71*0.019
HO1C3O2
+ NO =
HO1C3NO3
3.70D-14*
exp
(-460/TEMP)*O2
HO1C3O
=
HOC2H4CHO
+ HO2
KFPAN % KBPAN
HOC3H6CO3 + NO2 =
C4PAN1
KRO2NO3
HOC3H6CO3
+ NO3 =
HO1C3O2
+ NO2
KAPHO2*0.71
HOC3H6CO3
+ HO2 =
HOC3H6CO3H
KAPHO2*0.29
HOC3H6CO3
+ HO2 =
HOC3H6CO2H
+ O3
5.00D-12*0.7*RO2
HOC3H6CO3
=
HO1C3O2
5.00D-12*0.3*RO2
HOC3H6CO3
=
HOC3H6CO2H
KRO2NO3
HO1C3O2
+ NO3 =
HO1C3O
+ NO2
KRO2HO2*0.64
HO1C3O2
+ HO2 =
HO1C3OOH
6.00D-13*0.6*RO2
HO1C3O2
=
HO1C3O
6.00D-13*0.2*RO2
HO1C3O2
=
HOC2H4CHO
6.00D-13*0.2*RO2
HO1C3O2
=
HOC3H6OH
9.60D-12
OH +
C4PAN1
=
HOC3H6CO3
+ NO2
4.23D-12
OH +
HO1C3NO3
=
HOC2H4CHO
+ NO2
J<53>
HO1C3NO3
=
HO1C3O
+ NO2
1.32D-11
OH +
HOC3H6CO3H
=
HOC3H6CO3
J<41>
HOC3H6CO3H
=
HO1C3O2
+ OH
1.04D-11
OH +
HOC3H6CO2H
=
HO1C3O2
1.90D-12*
exp
(190/TEMP)
OH +
HO1C3OOH
=
HO1C3O2
1.92D-11
OH +
HO1C3OOH
=
HOC2H4CHO
+ OH
J<41>
HO1C3OOH
=
HO1C3O
+ OH
9.10D-12
OH +
HOC3H6OH
=
HOC2H4CHO
+ HO2
J<15>
HOC2H4CHO
=
HOCH2CH2O2
+ HO2 + CO
3.50D-11
OH +
HOC2H4CHO
=
HOC2H4CO3
KNO3AL
NO3 +
HOC2H4CHO
=
HOC2H4CO3
+ HNO3
KRO2NO*2.7
HOC2H4CO3
+ NO =
HOCH2CH2O2
+ NO2
KFPAN % KBPAN
HOC2H4CO3 + NO2 =
C3PAN1
KRO2NO3
HOC2H4CO3
+ NO3 =
HOCH2CH2O2
+ NO2
KAPHO2*0.71
HOC2H4CO3
+ HO2 =
HOC2H4CO3H
KAPHO2*0.29
HOC2H4CO3
+ HO2 =
HOC2H4CO2H
+ O3
5.00D-12*0.7*RO2
HOC2H4CO3
=
HOCH2CH2O2
5.00D-12*0.3*RO2
HOC2H4CO3
=
HOC2H4CO2H
1.42D-11
OH +
C3PAN1
=
HOC2H4CO3
+ NO2
1.78D-11
OH +
HOC2H4CO3H
=
HOC2H4CO3
J<41>
HOC2H4CO3H
=
HOCH2CH2O2
+ OH
1.50D-11
OH +
HOC2H4CO2H
=
HOCH2CH2O2
KRO2NO*0.60*0.91
SC4H9O2
+ NO =
SC4H9O
+ NO2
KRO2NO*0.60*0.09
SC4H9O2
+ NO =
SC4H9NO3
1.80D-14*
exp
(-260/TEMP)*O2
SC4H9O
=
MEK
+ HO2
2.70D+14*
exp
(-7398/TEMP)
SC4H9O =
CH3CHO
+
C2H5O2
KRO2NO3
SC4H9O2
+ NO3 =
SC4H9O
+ NO2
KRO2HO2*0.74
SC4H9O2
+ HO2 =
SC4H9OOH
2.50D-13*0.6*RO2
SC4H9O2
=
SC4H9O
2.50D-13*0.2*RO2
SC4H9O2
=
MEK
2.50D-13*0.2*RO2
SC4H9O2
=
BUT2OL
9.20D-13
OH +
SC4H9NO3
=
MEK
+ NO2
J<54>
SC3H9NO3
=
SC4H9O
+ NO2
1.90D-12*
exp
(190/TEMP)
OH +
SC4H9OOH
=
SC4H9O2
3.21D-11
OH +
SC4H9OOH
=
MEK
+ OH
J<41>
SC4H9OOH
=
SC4H9O
+ OH
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