!A Multi-Component Wide Distillation Fuel (Covering Gasoline, Jet Fuel and Diesel Fuel) Mechanism for Combustion and PAH Prediction
!Shuojin Ren, Sage L. Kokjohn, Zhi Wang, Haoye Liu, Buyu Wang, Jianxin Wang
!Submitted to Fuel

TRANSPORT
dtbp 2 393.843 7.098 0.0 0.0 1.0
h 0 145.0 2.05 0.0 0.0 0.0
h2 1 38.0 2.92 0.0 0.79 280.0
o 0 80.0 2.75 0.0 0.0 0.0
o2 1 107.4 3.458 0.0 1.6 3.8
oh 1 80.0 2.75 0.0 0.0 0.0
h2o 2 572.4 2.605 1.844 0.0 4.0
n2 1 97.53 3.621 0.0 1.76 4.0
ho2 2 107.4 3.458 0.0 0.0 1.0
h2o2 2 107.4 3.458 0.0 0.0 3.8
co 1 98.1 3.65 0.0 1.95 1.8
co2 1 244.0 3.763 0.0 2.65 2.1
ch2o 2 498.0 3.59 0.0 0.0 2.0
hco 2 498.0 3.59 0.0 0.0 0.0
ch3oh 2 481.8 3.626 0.0 0.0 1.0
ch2oh 2 417.0 3.69 1.7 0.0 2.0
ch3o 2 417.0 3.69 1.7 0.0 2.0
ch3o2h 2 481.8 3.626 0.0 0.0 1.0
ch3o2 2 481.8 3.626 0.0 0.0 1.0
ch4 2 141.4 3.746 0.0 2.6 13.0
ch3 1 144.0 3.8 0.0 0.0 0.0
ch2 1 144.0 3.8 0.0 0.0 0.0
ch 1 80.0 2.75 0.0 0.0 0.0
c2h6 2 247.5 4.35 0.0 0.0 1.5
c2h5 2 247.5 4.35 0.0 0.0 1.5
c2h4 2 238.4 3.496 0.0 0.0 1.5
c2h3 2 265.3 3.721 0.0 0.0 1.0
c2h2 1 265.3 3.721 0.0 0.0 2.5
ch3co 2 436.0 3.97 0.0 0.0 2.0
ch2cho 2 436.0 3.97 0.0 0.0 2.0
ch2co 2 436.0 3.97 0.0 0.0 2.0
ch3cho 2 436.0 3.97 0.0 0.0 2.0
hcco 2 150.0 2.5 0.0 0.0 1.0
tc4h9o 2 496.0 5.2 0.0 0.0 1.0
ch3coch3 2 435.5 4.86 0.0 0.0 1.0
ch3coch2 2 435.5 4.86 0.0 0.0 1.0
ch3coch2o2 2 502.115 5.429 0.0 0.0 0.0
c3ket21 2 464.2 5.009 2.6 0.0 1.0
c2h5oh 2 470.6 4.41 0.0 0.0 1.5
c2h5o 2 470.6 4.41 0.0 0.0 1.5
pc2h4oh 2 470.6 4.41 0.0 0.0 1.5
sc2h4oh 2 470.6 4.41 0.0 0.0 1.5
c2h3oh 2 470.6 4.41 0.0 0.0 1.5
nc7h16 2 459.6 6.253 0.0 0.0 1.0
c3h3 1 324.8 4.29 0.0 0.0 1.0
c3h4 1 324.8 4.29 0.0 0.0 1.0
ic8h18 2 458.5 6.414 0.0 0.0 1.0
c3h5 2 316.0 4.22 0.0 0.0 1.0
c3h6 2 307.8 4.14 0.0 0.0 1.0
nc3h7 2 303.4 4.81 0.0 0.0 1.0
ic3h7 2 303.4 4.81 0.0 0.0 1.0
ic4h7 2 355.0 4.65 0.0 0.0 1.0
c4h8 2 355.0 4.65 0.0 0.0 1.0
ic4h8 2 355.0 4.65 0.0 0.0 1.0
pc4h9 2 352.0 5.24 0.0 0.0 1.0
ic4h9 2 352.0 5.24 0.0 0.0 1.0
tc4h9 2 352.0 5.24 0.0 0.0 1.0
c5h10 2 386.2 5.489 0.4 0.0 1.0
ic3h5cho 2 436.4 5.352 0.0 0.0 1.0
nc3h7cho 2 464.2 5.009 2.6 0.0 1.0
nc3h7co 2 464.2 5.009 2.6 0.0 1.0
ic3h7cho 2 436.4 5.352 0.0 0.0 1.0
tc3h6cho 2 436.4 5.352 0.0 0.0 1.0
tc3h6o2cho 2 436.4 5.352 0.0 0.0 1.0
tc3h6o2hco 2 436.4 5.352 0.0 0.0 1.0
ic3h5co 2 436.4 5.352 0.0 0.0 1.0
ic3h7co 2 436.4 5.352 0.0 0.0 1.0
ch2cch2oh 2 481.5 4.997 1.7 0.0 1.0
ic4h7o 2 496.0 5.2 0.0 0.0 1.0
ic4h6oh 2 502.2 5.356 1.8 0.0 1.0
c7h15-2 2 459.6 6.253 0.0 0.0 1.0
c7h15o2-2 2 561.0 6.317 1.7 0.0 1.0
c7h14ooh2-4 2 561.0 6.317 1.7 0.0 1.0
c7h14ooh2-4o2 2 600.6 7.229 1.8 0.0 1.0
nc7ket24 2 581.3 6.506 2.0 0.0 1.0
ac8h17 2 458.5 6.414 0.0 0.0 1.0
ac8h17o2 2 581.3 6.506 2.0 0.0 1.0
ac8h16ooh-b 2 581.3 6.506 2.0 0.0 1.0
ic8eterab 2 581.3 6.506 2.0 0.0 1.0
ac8h16ooh-bo2 2 581.3 6.506 2.0 0.0 1.0
ic8ketab 2 581.3 6.506 2.0 0.0 1.0
ic4h9oh 2 641.92 2.4 1.67 8.88 1.0
ic4h8oh-1 2 641.92 2.4 1.67 8.88 1.0
ch3chco 2 443.2 4.12 0.0 0.0 1.0
ic4h8oh-1o2 2 641.92 2.4 1.67 8.88 1.0
ic4h7oh-1ooh-3 2 641.92 2.4 1.67 8.88 1.0
ic4h7oh-1ooh-3o2 2 641.92 2.4 1.67 8.88 1.0
ic4ohket1-3 2 641.92 2.4 1.67 8.88 1.0
ic4h8oh-3 2 641.92 2.4 1.67 8.88 1.0
ic4h8oh-3o2 2 641.92 2.4 1.67 8.88 1.0
ic4h7oh-3ooh-1 2 641.92 2.4 1.67 8.88 1.0
ic4ketii 2 436.4 5.352 0.0 0.0 1.0
c2h5co 2 424.6 4.82 0.0 0.0 1.0
nc4h9oh 2 503.07 5.34 1.67 8.88 1.0
nc4h8oh 2 476.0 5.778 2.6 0.0 1.0
nc4h8oho2 2 503.07 5.34 1.67 8.88 1.0
nc4h7ohooh 2 503.07 5.34 1.67 8.88 1.0
nc4h7ohooho2 2 503.07 5.34 1.67 8.88 1.0
nc4ohket 2 503.07 5.34 1.67 8.88 1.0
nc4ket 2 476.0 5.778 2.6 0.0 1.0
hocho 2 436.0 3.97 0.0 0.0 2.0
n 0 71.4 3.298 0.0 0.0 0.0
n2o 1 232.4 3.828 0.0 0.0 1.0
no 1 97.53 3.621 0.0 1.76 4.0
no2 2 200.0 3.5 0.0 0.0 1.0
c4h8oh-1 2 503.07 5.34 1.67 8.88 1.0
c4h8oh-3 2 503.07 5.34 1.67 8.88 1.0
c4h8oh-3o2 2 503.07 5.34 1.67 8.88 1.0
c4h7oh-1ooh-3 2 503.07 5.34 1.67 8.88 1.0
c4h7oh-3ooh-1 2 503.07 5.34 1.67 8.88 1.0
c4h7oh-1ooh-3o2 2 503.07 5.34 1.67 8.88 1.0
c4ohket1-3 2 503.07 5.34 1.67 8.88 1.0
c4h8oh-1o2 2 503.07 5.34 1.67 8.88 1.0
nc4ket13 2 476.0 5.778 2.6 0.0 1.0
ch2ocho 2 395.0 4.037 1.3 0.0 1.0
sc4h9oh 2 641.92 2.4 1.67 8.88 1.0
sc4h8oh-1 2 641.92 2.4 1.67 8.88 1.0
sc4h8oh-2 2 641.92 2.4 1.67 8.88 1.0
sc4h8oh-3 2 641.92 2.4 1.67 8.88 1.0
sc4h8oh-2o2 2 641.92 2.4 1.67 8.88 1.0
sc4h8oh-3o2 2 641.92 2.4 1.67 8.88 1.0
sc4h7oh-2ooh-1 2 641.92 2.4 1.67 8.88 1.0
sc4h7oh-3ooh-1 2 641.92 2.4 1.67 8.88 1.0
nc4ket23 2 476.0 5.778 2.6 0.0 1.0
nc4ket24 2 476.0 5.778 2.6 0.0 1.0
ch3chchoh 2 496.0 5.2 0.0 0.0 1.0
c2h5coch3 2 454.0 5.413 3.3 0.0 1.0
ch2ch2coch3 2 454.0 5.413 3.3 0.0 1.0
ic3h5oh 2 459.5 5.036 1.7 0.0 1.0
tc4h9oh 2 620.84 2.37 1.67 8.88 1.0
tc4h8oh 2 620.84 2.37 1.67 8.88 1.0
tc4h8oh-o2 2 620.84 2.37 1.67 8.88 1.0
tc4h7oh-ooh 2 620.84 2.37 1.67 8.88 1.0
tc4h7oh-ooh-o2 2 620.84 2.37 1.67 8.88 1.0
tc3h6oh 2 459.5 5.036 1.7 0.0 1.0
c3ket12 2 464.2 5.009 2.6 0.0 1.0
ic4h9o 2 496.0 5.2 0.0 0.0 1.0
c3h6oh-2 2 487.9 4.82 0.0 0.0 1.0
ar 0 136.5 3.33 0.0 0.0 0.0
c7h8 2 495.3 5.68 0.43 12.3 1.0
c6h5ch2 2 495.3 5.68 0.43 12.3 1.0
oc6h4ch3 2 621.1 5.64 0.0 0.0 1.0
hoc6h4ch3 2 621.1 5.64 0.0 0.0 1.0
oc6h4o 2 464.8 5.29 0.0 10.32 1.0
hoc6h4ch2 2 546.2 6.0 0.13 15.0 1.0
hoc6h4ch2oo 2 546.2 6.0 0.13 15.0 1.0
rodc6jdo 2 546.2 6.0 0.13 15.0 1.0
oxccxccjxo 2 426.3 5.51 0.0 0.0 1.0
cy13pd 2 546.2 6.0 0.13 15.0 1.0
c6h5oh 2 450.0 5.5 0.0 0.0 1.0
styr 2 546.2 6.0 0.13 15.0 1.0
cypdone 2 484.0 5.1 0.0 0.0 0.0
hcocjxo 2 386.2 5.489 0.4 0.0 1.0
cpdjone 2 484.0 5.1 0.0 0.0 0.0
cxccxcxo 2 561.0 6.317 1.7 0.0 1.0
cjxccxcxo 2 561.0 6.317 1.7 0.0 1.0
oxccxccxo 2 561.0 6.317 1.7 0.0 1.0
oxccxccjcxo 2 561.0 6.317 1.7 0.0 1.0
c6h5ch2oo 2 546.2 6.0 0.13 15.0 1.0
c6h5ch2ooh 2 546.2 6.0 0.13 15.0 1.0
c6h5ch2o 2 546.2 6.0 0.13 15.0 1.0
c6h5ch2oh 2 622.4 5.53 0.0 0.0 1.0
c6h5cho 2 622.4 5.53 0.0 0.0 1.0
hoc6h4cho 2 546.2 6.0 0.13 15.0 1.0
c6h4oh 2 495.3 5.68 0.43 12.3 1.0
c6h5o2 2 495.3 5.68 0.43 12.3 1.0
cy13pd5j 2 464.8 5.29 0.0 10.32 1.0
cxccxccj 2 386.2 5.489 0.4 0.0 1.0
ch3cy24pd 2 484.0 5.1 0.0 0.0 0.0
cyc5h7u1 2 484.0 5.1 0.0 0.0 0.0
cjxccxo 2 386.2 5.489 0.4 0.0 1.0
hcohco 2 386.2 5.489 0.4 0.0 1.0
oxccxccxcj 2 561.0 6.317 1.7 0.0 1.0
cxocccjcxo 2 561.0 6.317 1.7 0.0 1.0
cxocccjxo 2 561.0 6.317 1.7 0.0 1.0
c14h14 2 676.5 6.31 0.0 20.0 1.0
c14h13 2 676.5 6.31 0.0 20.0 1.0
stylben 2 676.5 6.31 0.0 20.0 1.0
c6h4ch3 2 495.3 5.68 0.0 0.0 1.0
c6h5co 2 495.3 5.68 0.43 12.3 1.0
yoc6jdo 2 495.3 5.68 0.43 12.3 1.0
c6h5c2h5 2 523.6 5.96 0.0 0.0 1.0
c12h10 2 676.5 6.31 0.0 20.0 1.0
phcchph 2 676.5 6.31 0.0 20.0 1.0
o2c6h4ch3 2 546.2 6.0 0.13 15.0 1.0
rodc6j(c)do 2 546.2 6.0 0.13 15.0 1.0
occxccxcjc 2 437.3 6.168 0.0 0.0 1.0
c6h4 2 412.3 5.349 0.0 0.0 1.0
!cjcxcc#c 2 676.5 6.31 0.0 20.0 1.0
oc6h4ch2 2 676.5 6.31 0.0 20.0 1.0
phena 2 772.0 6.96 0.0 38.8 1.0
c2h3co 2 443.2 4.12 0.0 0.0 1.0
c6h4o2 2 450.000 5.500 0.000 0.000 1.000
c2h 1 209.000 4.100 0.000 0.000 2.500
c3h2 2 209.000 4.100 0.000 0.000 1.000
c4h2 1 357.000 5.180 0.000 0.000 1.000
c4h3 2 357.000 5.180 0.000 0.000 1.000
c4h4 2 357.000 5.180 0.000 0.000 1.000
ic4h5 2 357.000 5.180 0.000 0.000 1.000
c5h5 1 357.000 5.180 0.000 0.000 1.000
c6h5o 2 450.000 5.500 0.000 0.000 1.000
A1- 2 412.300 5.349 0.000 0.000 1.000
A2- 2 630.4 6.18 0.00 16.50 1.000
A1c2h- 2 535.6 5.72 0.77 12.00 1.000
A1c2h 2 535.6 5.72 0.77 12.00 1.000
A1c2h3 2 546.2 6.00 0.13 15.00 1.000
A2r5 2 693.1 6.47 0.00 18.00 1.000
A3- 2 837.500 7.275 0.000 0.000 0.000
A1 2 464.8 5.29 0.00 10.32 1.000
A2 2 630.4 6.18 0.00 16.50 1.000
A3 2 772.0 6.96 0.00 38.80 1.000
A4 2 834.9 7.24 0.00 45.00 1.000
c10h22 2 540.000 7.085 0.000 0.000 1.000
c10h21 2 704.920 6.690 0.000 19.10 1.000
c10h20 2 698.20 6.59 0 18.82 1.000
c10h20ooh 2 704.92 6.69 0 19.1 1.000
ooc10h20ooh 2 704.92 6.69 0 19.1 1.000
c10ket 2 704.92 6.69 0 19.1 1.000
c10h21oo 2 704.92 6.69 0 19.1 1
c12h26 2.00 789.16 7.06 0.00 22.75 1
c12h25 2.00 789.16 7.06 0.00 22.75 1
ooc12h24ooh 2.00 789.16 7.06 0.00 22.75 1
c12h25oo 2.00 789.16 7.06 0.00 22.75 1
c12h24ooh 2.00 789.16 7.06 0.00 22.75 1
c12ket 2.00 789.16 7.06 0.00 22.75 1
c12h24 2 787.05 6.93 0 22.52 1
c16h34 2.00 938.92 7.73 0.00 30.26 1
c16h33 2.00 938.92 7.73 0.00 30.26 1
c16h32 2 943.77 7.70 0 29.92 1
c16h33oo 2.00 938.92 7.73 0.00 30.26 1
c16h32ooh 2 938.92 7.73 0 30.26 1
ooc16h32ooh 2 938.92 7.73 0 30.26 1
c16ket 2 938.92 7.73 0 30.26 1
c5h11co 2 498.6 6.009 2.0 0.0 1.0
jc8h16 2 485.6 6.440 0.3 0.0 1.0
chx 2 504.629 5.628 0.000 0.000 1.000
chxrad 2 504.629 5.628 0.000 0.000 1.000
chxro2 2 464.8 5.29 0.00 0.000 1.000
chxro 2 464.8 5.29 0.00 0.000 1.000
ochxrro 2 561.0 6.317 1.7 0.0 1.0
oc5h8cho 2 561.0 6.317 1.7 0.0 1.0
choco 1 440.200 4.010 0.000 0.000 2.000
chxdooh 2 464.8 5.29 0.00 0.000 1.000
chxdo 2 464.8 5.29 0.00 0.000 1.000
hooc5h8cho 2 561.0 6.317 1.7 0.0 1.0
cyc6h9 2 468.500 5.230 0.000 0.000 1.000
cyc6h8 2 468.500 5.230 0.000 0.000 1.000
c6h11 2 504.629 5.628 0.000 0.000 1.000
c4h6ooh 2 502.2 5.356 1.8 0.0 1.0
c2h3cho 2 428.8 4.958 2.9 0.0 1.0
c3h6cho 2 464.2 5.009 2.6 0.0 1.0
cychexene 2 464.8 5.29 0.00 0.000 1.000
c4h6 2 357.000 4.720 0.000 0.000 1.000
tc4h7 2 355.000 4.650 0.000 0.000 1.000
c4h7o 2 496.000 5.200 0.000 0.000 1.000
mch 2 557.947 5.876 0.000 0.000 1.000
mchrad 2 557.947 5.876 0.000 0.000 1.000
mch2o 2 495.3 5.68 0.43 12.30 1.000
mch2oo 2 495.3 5.68 0.43 12.30 1.000
mch2ooh 2 495.3 5.68 0.43 12.30 1.000
mch2qj 2 495.3 5.68 0.43 12.30 1.000
mchyo 2 495.3 5.68 0.43 12.30 1.000
chxch2 2 495.3 5.68 0.43 12.30 1.000
chxch2oo 2 495.3 5.68 0.43 12.30 1.000
chxjch2q 2 495.3 5.68 0.43 12.30 1.000
chxdch2 2 495.3 5.68 0.43 12.30 1.000
c6h12cho 2 561.0 6.317 1.7 0.0 1.0
c6h11cho 2 561.0 6.317 1.7 0.0 1.0
c6h11co 2 561.0 6.317 1.7 0.0 1.0
c3h6co 2 436.400 5.352 0.000 0.000 1.000
c3h6coch3 2 489.084 5.348 0.000 0.000 0.000
mche 2 586.0 6.09 0.00 16.00 1.000
mchje 2 586.0 6.09 0.00 16.00 1.000
mchde 2 586.0 6.09 0.00 16.00 1.000
mchjde 2 586.0 6.09 0.00 16.00 1.000
END