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2-METHYL HEXANE
6.79D-12*0.621
OH +
M2HEX
=
M2HEXAO2
6.79D-12*0.379
OH +
M2HEX
=
M2HEXBO2
KRO2NO*0.36*0.722
M2HEXAO2
+ NO =
M2HEXAO
+ NO2
KRO2NO*0.36*0.278
M2HEXAO2
+ NO =
M2HEXANO3
4.20D+10*
exp
(-2567/TEMP)
M2HEXAO =
H2M5C65O2
KRO2NO*0.36*0.967
H2M5C65O2
+ NO =
H2M5C65O
+ NO2
KRO2NO*0.36*0.033
H2M5C65O2
+ NO =
H2M5C65NO3
4.20D+10*
exp
(-1963/TEMP)
H2M5C65O =
H2M2CO5C6
+ HO2
KRO2NO3
M2HEXAO2
+ NO3 =
M2HEXAO
+ NO2
KRO2HO2*0.91
M2HEXAO2
+ HO2 =
M2HEXAOOH
2.50D-13*0.6*RO2
M2HEXAO2
=
M2HEXAO
2.50D-13*0.2*RO2
M2HEXAO2
=
M2CO5C6
2.50D-13*0.2*RO2
M2HEXAO2
=
M2HEXAOH
KRO2NO3
H2M5C65O2
+ NO3 =
H2M5C65O
+ NO2
KRO2HO2*0.91
H2M5C65O2
+ HO2 =
H2M5C65OOH
6.70D-15*0.7*RO2
H2M5C65O2
=
H2M5C65O
6.70D-15*0.3*RO2
H2M5C65O2
=
H25M2C6
4.92D-12
OH +
M2HEXANO3
=
M2CO5C6
+ NO2
J<54>
M2HEXANO3
=
M2HEXAO
+ NO2
1.00D-11
OH +
H2M5C65NO3
=
CH3COCH3
+ NO2 +
HO2C3CHO
J<55>
H2M5C65NO3
=
H2M5C65O
+ NO2
4.00D-11
OH +
M2HEXAOOH
=
M2CO5C6
+ OH
J<41>
M2HEXAOOH
=
M2HEXAO
+ OH
1.38D-11
OH +
M2HEXAOH
=
M2CO5C6
+ HO2
1.50D-11
OH +
H2M5C65OOH
=
H2M5C65O2
J<41>
H2M5C65OOH
=
H2M5C65O
+ OH
1.15D-11
OH +
H25M2C6
=
H2M2CO5C6
+ HO2
J<22>
M2CO5C6
=
CH3CO3
+
IPE(A)O2
1.24D-11
OH +
M2CO5C6
=
C75O2
KRO2NO*0.36
C75O2
+ NO =
C75O
+ NO2
1.30D+11*
exp
(-4127/TEMP)
C75O =
C76O2
KRO2NO*0.36
C76O2
+ NO =
C76O
+ NO2
KDEC
C76O
=
HCHO
+
H3M2C4CO3
KRO2NO*2.7
H3M2C4CO3
+ NO =
ME3BU2OLO2
+ NO2
KRO2NO3
C75O2
+ NO3 =
C75O
+ NO2
KRO2HO2*0.91
C75O2
+ HO2 =
C75OOH
8.80D-13*RO2
C75O2
=
C75O
KRO2NO3
C76O2
+ NO3 =
C76O
+ NO2
KRO2HO2*0.91
C76O2
+ HO2 =
C76OOH
2.00D-12*RO2
C76O2
=
C76O
KRO2NO3
H3M2C4CO3
+ NO3 =
ME3BU2OLO2
+ NO2
KAPHO2
H3M2C4CO3
+ HO2 =
H3M2C4CO3H
5.00D-12*RO2
H3M2C4CO3
=
ME3BU2OLO2
KFPAN % KBPAN
H3M2C4CO3 + NO2 =
C6PAN20
1.42D-10
OH +
C75OOH
=
C75O2
J<41>
C75OOH
=
C75O
+ OH
J<22>
C75OOH
=
C75O
+ OH
4.89D-11
OH +
C76OOH
=
C76O2
J<41>
C76OOH
=
C76O
+ OH
J<22>
C76OOH
=
C76O
+ OH
9.59D-12
OH +
H3M2C4CO3H
=
H3M2C4CO3
J<41>
H3M2C4CO3H
=
ME3BU2OLO2
+ OH
5.99D-12
OH +
C6PAN20
=
H3M2C4CO3
+ NO2
J<22>
H2M2CO5C6
=
CH3CO3
+
HO2M2C4O2
6.10D-12*0.852
OH +
H2M2CO5C6
=
C77O2
6.10D-12*0.852
OH +
H2M2CO5C6
=
C78O2
KRO2NO*0.36*0.861
C77O2
+ NO =
C77O
+ NO2
KRO2NO*0.36*0.139
C77O2
+ NO =
C77NO3
KDEC
C77O
=
CH3COCH3
+
CO2C3CHO
+ HO2
KRO2NO*0.36
C78O2
+ NO =
C78O
+ NO2
KDEC
C78O
=
TBUTOLO2
+
MGLYOX
KRO2NO3
C77O2
+ NO3 =
C77O
+ NO2
KRO2HO2*0.91
C77O2
+ HO2 =
C77OOH
8.80D-13*0.6*RO2
C77O2
=
C77O
8.80D-13*0.2*RO2
C77O2
=
C77OH
8.80D-13*0.2*RO2
C77O2
=
C77CO
KRO2NO3
C78O2
+ NO3 =
C78O
+ NO2
KRO2HO2*0.91
C78O2
+ HO2 =
C78OOH
8.80D-13*0.6*RO2
C78O2
=
C78O
8.80D-13*0.2*RO2
C78O2
=
C78OH
8.80D-13*0.2*RO2
C78O2
=
C78CO
2.58D-12
OH +
C77NO3
=
C77CO
+ NO2
J<54>
C77NO3
=
C77O
+ NO2
J<22>
C77NO3
=
C77O
+ NO2
1.40D-10
OH +
C77OOH
=
C77CO
+ OH
J<41>
C77OOH
=
C77O
+ OH
J<22>
C77OOH
=
C77O
+ OH
3.67D-11
OH +
C77OH
=
C77CO
+ HO2
J<22>
C77OH
=
C77O
+ HO2
J<22>*2
C77CO
=
IPRHOCO3
+
CH3COCH2O2
1.90D-12
OH +
C77CO
=
C79O2
KRO2NO*0.36
C79O2
+ NO =
C79O
+ NO2
KDEC
C79O
=
CO235C6
+
HCHO
+ HO2
2.34D-11
OH +
C78OOH
=
C78CO
+ OH
1.90D-12*
exp
(190/TEMP)
OH +
C78OOH
=
C78O2
J<41>
C78OOH
=
C78O
+ OH
J<22>
C78OOH
=
H2M2C3CHO
+
CH3CO3
+ OH
1.00D-11
OH +
C78OH
=
C78CO
+ HO2
J<22>
C78OH
=
H2M2C3CHO
+
CH3CO3
+ HO2
J<35>
C78CO
=
H2M2C3CO3
+
CH3CO3
1.34D-12
OH +
C78CO
=
C79O2
KRO2NO3
C79O2
+ NO3 =
C79O
+ NO2
KRO2HO2*0.91
C79O2
+ HO2 =
C79OOH
2.00D-12*RO2
C79O2
=
C79O
1.88D-11
OH +
C79OOH
=
C79O2
J<41>
C79OOH
=
C79O
+ OH
J<22>*2
C79OOH
=
HCHO
+
CO235C6
+ OH
KRO2NO*0.36*0.917
M2HEXBO2
+ NO =
M2HEXBO
+ NO2
KRO2NO*0.36*0.083
M2HEXBO2
+ NO =
M2HEXBNO3
8.40D+10*
exp
(-2567/TEMP)
M2HEXBO =
H2M2C65O2
KRO2NO*0.36*0.889
H2M2C65O2
+ NO =
H2M2C65O
+ NO2
KRO2NO*0.36*0.111
H2M2C65O2
+ NO =
H2M2C65NO3
2.70D+14*
exp
(-7398/TEMP)
H2M2C65O =
IPE(A)O2
+
CH3CHO
1.80D-14*
exp
(-260/TEMP)*O2
H2M2C65O
=
H2M2CO5C6
+ HO2
KRO2NO3
M2HEXBO2
+ NO3 =
M2HEXBO
+ NO2
KRO2HO2*0.91
M2HEXBO2
+ HO2 =
M2HEXBOOH
6.70D-15*0.7*RO2
M2HEXBO2
=
M2HEXBO
6.70D-15*0.3*RO2
M2HEXBO2
=
M2HEXBOH
KRO2NO3
H2M2C65O2
+ NO3 =
H2M2C65O
+ NO2
KRO2HO2*0.91
H2M2C65O2
+ HO2 =
H2M2C65OOH
2.50D-13*0.6*RO2
H2M2C65O2
=
H2M2C65O
2.50D-13*0.2*RO2
H2M2C65O2
=
H25M2C6
2.50D-13*0.2*RO2
H2M2C65O2
=
H2M2CO5C6
3.07D-12
OH +
M2HEXBNO3
=
CH3COCH3
+ NO2 +
C3H7CHO
J<55>
M2HEXBNO3
=
M2HEXBO
+ NO2
2.59D-12
OH +
H2M2C65NO3
=
H2M2CO5C6
+ NO2
J<54>
H2M2C65NO3
=
H2M2C65O
+ NO2
8.03D-12
OH +
M2HEXBOOH
=
M2HEXBO2
J<41>
M2HEXBOOH
=
M2HEXBO
+ OH
4.47D-12
OH +
M2HEXBOH
=
M2HEXBO
3.76D-11
OH +
H2M2C65OOH
=
H2M2CO5C6
+ OH
J<41>
H2M2C65OOH
=
H2M2C65O
+ OH
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