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3-METHYL HEXANE
7.16D-12*0.539
OH +
M3HEX
=
M3HEXAO2
7.16D-12*0.461
OH +
M3HEX
=
M3HEXBO2
KRO2NO*0.36*0.722
M3HEXAO2
+ NO =
M3HEXAO
+ NO2
KRO2NO*0.36*0.278
M3HEXAO2
+ NO =
M3HEXANO3
8.40D+10*
exp
(-2567/TEMP)
M3HEXAO =
H2M4C65O2
KRO2NO*0.36*0.889
H2M4C65O2
+ NO =
H2M4C65O
+ NO2
KRO2NO*0.36*0.111
H2M4C65O2
+ NO =
H2M4C65NO3
4.20D+10*
exp
(-1963/TEMP)
H2M4C65O =
H2M3CO5C6
+ HO2
KRO2NO3
M3HEXAO2
+ NO3 =
M3HEXAO
+ NO2
KRO2HO2*0.91
M3HEXAO2
+ HO2 =
M3HEXAOOH
2.50D-13*0.6*RO2
M3HEXAO2
=
M3HEXAO
2.50D-13*0.2*RO2
M3HEXAO2
=
M3CO5C6
2.50D-13*0.2*RO2
M3HEXAO2
=
M3HEXAOH
KRO2NO3
H2M4C65O2
+ NO3 =
H2M4C65O
+ NO2
KRO2HO2*0.91
H2M4C65O2
+ HO2 =
H2M4C65OOH
2.50D-13*0.6*RO2
H2M4C65O2
=
H2M4C65O
2.50D-13*0.2*RO2
H2M4C65O2
=
H25M3C6
2.50D-13*0.2*RO2
H2M4C65O2
=
H2M4CO5C6
5.29D-12
OH +
M3HEXANO3
=
M3CO5C6
+ NO2
J<54>
M3HEXANO3
=
M3HEXAO
+ NO2
1.10D-11
OH +
H2M4C65NO3
=
H2M4CO5C6
+ NO2
J<54>
H2M4C65NO3
=
H2M4C65O
+ NO2
4.03D-11
OH +
M3HEXAOOH
=
M3CO5C6
+ OH
J<41>
M3HEXAOOH
=
M3HEXAO
+ OH
1.41D-11
OH +
M3HEXAOH
=
M3CO5C6
+ HO2
4.73D-11
OH +
H2M4C65OOH
=
H2M4CO5C6
+ OH
J<41>
H2M4C65OOH
=
H2M4C65O
+ OH
2.11D-11*0.5
OH +
H25M3C6
=
H2M3CO5C6
+ HO2
2.11D-11*0.5
OH +
H25M3C6
=
H2M4CO5C6
+ HO2
J<22>
M3CO5C6
=
CH3CO3
+
IPE(A)O2
1.28D-11
OH +
M3CO5C6
=
C710O2
KRO2NO*0.36
C710O2
+ NO =
C710O
+ NO2
1.30D+11*
exp
(-4127/TEMP)
C710O =
C711O2
KRO2NO*0.36
C711O2
+ NO =
C711O
+ NO2
KDEC
C711O
=
HCHO
+
H3M3C4CO3
KRO2NO*2.7
H3M3C4CO3
=
PROL11MO2
+ NO2
KRO2NO3
C710O2
+ NO3 =
C710O
+ NO2
KRO2HO2*0.91
C710O2
+ HO2 =
C710OOH
6.70D-15*RO2
C710O2
=
C710O
KRO2NO3
C711O2
+ NO3 =
C711O
+ NO2
KRO2HO2*0.91
C711O2
+ HO2 =
C711OOH
2.00D-12*RO2
C711O2
=
C711O
KRO2NO3
H3M3C4CO3
+ NO3 =
PROL11MO2
+ NO2
KAPHO2
H3M3C4CO3
+ HO2 =
H3M3C4CO3H
5.00D-12*RO2
H3M3C4CO3
=
PROL11MO2
KFPAN % KBPAN
H3M3C4CO3 + NO2 =
C6PAN21
5.98D-12
OH +
C710OOH
=
C710O2
J<41>
C710OOH
=
C710O
+ OH
J<22>
C710OOH
=
C710O
+ OH
1.42D-11
OH +
C711OOH
=
C711O2
J<41>
C711OOH
=
C711O
+ OH
J<22>
C711OOH
=
C711O
+ OH
5.91D-12
OH +
H3M3C4CO3H
=
H3M3C4CO3
J<41>
H3M3C4CO3H
=
PROL11MO2
+ OH
2.31D-12
OH +
C6PAN21
=
H3M3C4CO3
+ NO2
J<22>
H2M3CO5C6
=
CH3CO3
+
H2M3C4O2
1.98D-11*0.564
OH +
H2M3CO5C6
=
C712O2
1.98D-11*0.436
OH +
H2M3CO5C6
=
M3CO25C6
+ HO2
KRO2NO*0.36*0.958
C712O2
+ NO =
C712O
+ NO2
KRO2NO*0.36*0.042
C712O2
+ NO =
C712NO3
KDEC
C712O
=
CH3CHO
+
CO24C5
+ HO2
KRO2NO3
C712O2
+ NO3 =
C712O
+ NO2
KRO2HO2*0.91
C712O2
+ HO2 =
C712OOH
9.20D-14*0.7*RO2
C712O2
=
C712O
9.20D-14*0.3*RO2
C712O2
=
C712OH
2.43D-12
OH +
C712NO3
=
BUT2OLO
+
MGLYOX
+ NO2
J<22>
C712NO3
=
C712O
+ NO2
1.29D-11
OH +
C712OOH
=
C712O2
J<41>
C712OOH
=
C712O
+ OH
J<22>
C712OOH
=
CH3COCH2O2
+
HO2CO4C5
+ OH
9.37D-12
OH +
C712OH
=
C712O
J<22>
C712OH
=
CH3COCH2O2
+
HO2CO4C5
+ HO2
J<22>
M3CO25C6
=
CH3CO3
+
MIPKBO2
J<22>
M3CO25C6
=
CH3CO3
+
CO2C54O2
9.77D-12*0.686
OH +
M3CO25C6
=
C713O2
9.77D-12*0.314
OH +
M3CO25C6
=
C714O2
KRO2NO*0.36
C713O2
+ NO =
C713O
+ NO2
KDEC
C713O
=
CH3CO3
+
CO24C5
KRO2NO*0.36
C714O2
+ NO =
C714O
+ NO2
KDEC
C714O
=
CH3CO3
+
CO2C43CHO
KRO2NO3
C713O2
+ NO3 =
C713O
+ NO2
KRO2HO2*0.91
C713O2
+ HO2 =
C713OOH
9.20D-14*0.7*RO2
C713O2
=
C713O
9.20D-14*0.3*RO2
C713O2
=
C713OH
KRO2NO3
C714O2
+ NO3 =
C714O
+ NO2
KRO2HO2*0.91
C714O2
+ HO2 =
C714OOH
8.80D-13*0.6*RO2
C714O2
=
C714O
8.80D-13*0.2*RO2
C714O2
=
C714OH
8.80D-13*0.2*RO2
C714O2
=
M3CO245C6
7.25D-12
OH +
C713OOH
=
C713O2
J<41>
C713OOH
=
C713O
+ OH
J<22>*2
C713OOH
=
CH3CO3
+
CO24C5
+ OH
3.69D-12
OH +
C713OH
=
C713O
J<22>*2
C713OH
=
CH3CO3
+
CO24C5
+ HO2
1.06D-11
OH +
C714OOH
=
M3CO245C6
+ OH
1.90D-12*
exp
(190/TEMP)
OH +
C714OOH
=
C714O2
J<41>
C714OOH
=
C714O
+ OH
J<22>*2
C714OOH
=
CH3CO3
+
CO2C43CHO
+ OH
7.00D-12
OH +
C714OH
=
M3CO245C6
+ HO2
J<22>*2
C714OH
=
CH3CO3
+
CO2C43CHO
+ HO2
J<35>
M3CO245C6
=
CH3CO3
+
C41CO3
J<22>
M3CO245C6
=
CH3CO3
+
CO23C54O2
1.91D-12
OH +
M3CO245C6
=
C715O2
KRO2NO*0.36
C715O2
+ NO =
C715O
+ NO2
KDEC
C715O
=
CH3CO3
+ CO +
BIACET
KRO2NO3
C715O2
+ NO3 =
C715O
+ NO2
KRO2HO2*0.91
C715O2
+ HO2 =
C715OOH
9.20D-14*RO2
C715O2
=
C715O
4.45D-12
OH +
C715OOH
=
C715O2
J<41>
C715OOH
=
C715O
+ OH
J<22>*2
C715OOH
=
CH3CO3
+ CO +
CO24C5
+ OH
KRO2NO*0.36*0.917
M3HEXBO2
+ NO =
M3HEXBO
+ NO2
KRO2NO*0.36*0.083
M3HEXBO2
+ NO =
M3HEXBNO3
1.30D+11*
exp
(-4127/TEMP)
M3HEXBO =
H3M3C6O2
KRO2NO*0.36*0.956
H3M3C6O2
+ NO =
H3M3C6O
+ NO2
KRO2NO*0.36*0.044
H3M3C6O2
+ NO =
H3M3C6NO3
3.70D-14*
exp
(-460/TEMP)*O2
H3M3C6O
=
H3M3C5CHO
+ HO2
KRO2NO3
M3HEXBO2
+ NO3 =
M3HEXBO
+ NO2
KRO2HO2*0.91
M3HEXBO2
+ HO2 =
M3HEXBOOH
6.70D-15*0.7*RO2
M3HEXBO2
=
M3HEXBO
6.70D-15*0.3*RO2
M3HEXBO2
=
M3HEXBOH
KRO2NO3
H3M3C6O2
+ NO3 =
H3M3C6O
+ NO2
KRO2HO2*0.91
H3M3C6O2
+ HO2 =
H3M3C6OOH
1.30D-12*0.6*RO2
H3M3C6O2
=
H3M3C6O
1.30D-12*0.2*RO2
H3M3C6O2
=
H14M4C6
1.30D-12*0.2*RO2
H3M3C6O2
=
H3M3C5CHO
2.07D-12
OH +
M3HEXBNO3
=
MEK
+
C2H5CHO
+ NO2
J<55>
M3HEXBNO3
=
M3HEXBO
+ NO2
3.40D-12
OH +
H3M3C6NO3
=
H3M3C5CHO
+ NO2
J<53>
H3M3C6NO3
=
H3M3C6O
+ NO2
7.72D-12
OH +
M3HEXBOOH
=
M3HEXBO2
J<41>
M3HEXBOOH
=
M3HEXBO
+ OH
1.90D-12*
exp
(190/TEMP)
OH +
H3M3C6OOH
=
H3M3C6O2
1.83D-11
OH +
H3M3C6OOH
=
H3M3C5CHO
+ OH
4.15D-12
OH +
M3HEXBOH
=
M3HEXBO
7.95D-12
OH +
H14M4C6
=
H3M3C5CHO
+ HO2
J<15>
H3M3C5CHO
=
H3M3C5O2
+ HO2 + CO
2.78D-11
OH +
H3M3C5CHO
=
H3M3C5CO3
KNO3AL
NO3 +
H3M3C5CHO
=
H3M3C5CO3
+ HNO3
KRO2NO*2.7
H3M3C5CO3
+ NO =
H3M3C5O2
+ NO2
KRO2NO*0.51*0.948
H3M3C5O2
+ NO =
H3M3C5O
+ NO2
KRO2NO*0.51*0.052
H3M3C5O2
+ NO =
H3M3C5NO3
8.40D+10*
exp
(-2567/TEMP)
H3M3C5O =
H13M3C5O2
KRO2NO*0.51*0.974
H13M3C5O2
+ NO =
H13M3C5O
+ NO2
KRO2NO*0.51*0.026
H13M3C5O2
+ NO =
H13M3C5NO3
KDEC
H13M3C5O
=
CH3CHO
+
MEKAOH
+ HO2
KRO2NO3
H3M3C5CO3
+ NO3 =
H3M3C5O2
+ NO2
KAPHO2*0.71
H3M3C5CO3
+ HO2 =
H3M3C5CO3H
KAPHO2*0.29
H3M3C5CO3
+ HO2 =
H3M3C5CO2H
+ O3
5.00D-12*0.7*RO2
H3M3C5CO3
=
H3M3C5O2
5.00D-12*0.3*RO2
H3M3C5CO3
=
H3M3C5CO2H
KFPAN % KBPAN
H3M3C5CO3 + NO2 =
C7PAN1
KRO2NO3
H3M3C5O2
+ NO3 =
H3M3C5O
+ NO2
KRO2HO2*0.82
H3M3C5O2
+ HO2 =
H3M3C5OOH
1.30D-12*0.6*RO2
H3M3C5O2
=
H3M3C5O
1.30D-12*0.2*RO2
H3M3C5O2
=
H13M3C5
1.30D-12*0.2*RO2
H3M3C5O2
=
H3M3C4CHO
KRO2NO3
H13M3C5O2
+ NO3 =
H13M3C5O
+ NO2
KRO2HO2*0.82
H13M3C5O2
+ HO2 =
H13M3C5OOH
8.80D-13*0.6*RO2
H13M3C5O2
=
H13M3C5O
8.80D-13*0.2*RO2
H13M3C5O2
=
H134M3C5
8.80D-13*0.2*RO2
H13M3C5O2
=
H13M3CO4C5
2.01D-12
OH +
H3M3C5NO3
=
H3M3C4CHO
+ NO2
J<53>
H3M3C5NO3
=
H3M3C5O
+ NO2
5.75D-12
OH +
H13M3C5NO3
=
H13M3CO4C5
+ NO2
1.07D-11
OH +
H3M3C5CO3H
=
H3M3C5CO3
J<41>
H3M3C5CO3H
=
H3M3C5O2
+ OH
7.10D-12
OH +
H3M3C5CO2H
=
H3M3C5O2
7.07D-12
OH +
C7PAN1
=
H3M3C5CO3
+ NO2
1.69D-11
OH +
H3M3C5OOH
=
H3M3C4CHO
+ OH
1.90D-12*
exp
(190/TEMP)
OH +
H3M3C5OOH
=
H3M3C5O2
J<41>
H3M3C5OOH
=
H3M3C5O
+ OH
6.60D-12
OH +
H13M3C5
=
H3M3C4CHO
+ HO2
3.98D-11
OH +
H13M3C5OOH
=
H13M3CO4C5
+ OH
J<41>
H13M3C5OOH
=
H13M3C5O
+ OH
1.36D-11
OH +
H134M3C5
=
H13M3CO4C5
+ HO2
J<15>
H3M3C4CHO
=
PROL11MO2
+ HO2 + CO
2.31D-11
OH +
H3M3C4CHO
=
H3M3C4CO3
KNO3AL
NO3 +
H3M3C4CHO
=
H3M3C4CO3
+ HNO3
J<22>
H13M3CO4C5
=
CO2C3CHO
+
CH3CO3
+ HO2
9.25D-12
OH +
H13M3CO4C5
=
C613O2
KRO2NO*0.36
C613O2
+ NO =
C613O
+ NO2
KDEC
C613O
=
HOCH2CHO
+
BIACET
+ HO2
KRO2NO3
C613O2
+ NO3 =
C613O
+ NO2
KRO2HO2*0.91
C613O2
+ HO2 =
C613OOH
8.80D-13*RO2
C613O2
=
C613O
1.43D-10
OH +
C613OOH
=
C613O2
J<41>
C613OOH
=
C613O
+ OH
J<22>
C613OOH
=
BIACET
+
HOCH2CHO
+ OH + HO2
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