View Issue Details
| ID | Project | Category | View Status | Date Submitted | Last Update |
|---|---|---|---|---|---|
| 0003450 | OpenFOAM | Bug | public | 2020-02-09 19:27 | 2020-02-11 17:14 |
| Reporter | pattim | Assigned To | henry | ||
| Priority | normal | Severity | minor | Reproducibility | always |
| Status | closed | Resolution | suspended | ||
| Platform | Intel | OS | OpenSuSE | OS Version | LEAP 15.1 |
| Summary | 0003450: chemkinToFoam fails on LLNL chemkin input files | ||||
| Description | Ver: 1912 Problem: chemkinToFoam will convert GRIMech3.0, but will not convert the LLNL chemkin mechanisms. The chemkinToFoam error messages suggest this is related to text-file formatting issues, but these files are in standard chemkin format, so I don't understand. Maybe chemkinToFoam does not follow all chemkin formatting conventions. The LLNL combustion mechanisms are very powerful and can make good use of OpenFOAM's TDAC system. I've worked with chemkin for decades and they appear by eye to be chemkin format text files. https://combustion.llnl.gov/mechanisms/aromatic-and-pah-formation/c1c4-mechanism-with-pah-formation https://combustion.llnl.gov/content/assets/docs/combustion/nbutane_thermo.txt https://combustion.llnl.gov/content/assets/docs/combustion/nbutane_mech.txt Perhaps there are more stringent requirements for the chemkinToFoam parser. | ||||
| Steps To Reproduce | Download from LLNL the combustion mechanism and run chemkinToFoam https://combustion.llnl.gov/content/assets/docs/combustion/nbutane_thermo.txt https://combustion.llnl.gov/content/assets/docs/combustion/nbutane_mech.txt In tutorials directory tutorials/combustion/reactingFoam/RAS/DLR_A_LTS/chemkin/ - execute >> chemkinToFoam nbutane_mech.txt nbutane_thermo.txt transportProperties chem thermo | ||||
| Additional Information | Evidence: ========= bash@OpenFoam >>> chemkinToFoam grimech30.dat thermo30.dat transportProperties chem thermo /*---------------------------------------------------------------------------*\ | ========= | | | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | | \\ / O peration | Version: 1912 | | \\ / A nd | Website: www.openfoam.com | | \\/ M anipulation | | \*---------------------------------------------------------------------------*/ Build : _e53419c0-20200203 OPENFOAM=1912 patch=200129 Arch : "LSB;label=32;scalar=64" Exec : chemkinToFoam grimech30.dat thermo30.dat transportProperties chem thermo Date : Feb 09 2020 Time : 10:10:50 Host : linux-lhkc PID : 9556 I/O : uncollated Case : /home/patti/OpenFOAM/tutorials/combustion/reactingFoam/RAS/DLR_A_LTS/chemkin nProcs : 1 trapFpe: Floating point exception trapping enabled (FOAM_SIGFPE). fileModificationChecking : Monitoring run-time modified files using timeStampMaster (fileModificationSkew 10) allowSystemOperations : Allowing user-supplied system call operations // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // End bash@OpenFoam >>> bash@OpenFoam >>> chemkinToFoam nbutane_mech.txt nbutane_thermo.txt transportProperties chem thermo /*---------------------------------------------------------------------------*\ | ========= | | | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | | \\ / O peration | Version: 1912 | | \\ / A nd | Website: www.openfoam.com | | \\/ M anipulation | | \*---------------------------------------------------------------------------*/ Build : _e53419c0-20200203 OPENFOAM=1912 patch=200129 Arch : "LSB;label=32;scalar=64" Exec : chemkinToFoam nbutane_mech.txt nbutane_thermo.txt transportProperties chem thermo Date : Feb 09 2020 Time : 10:12:23 Host : linux-lhkc PID : 9602 I/O : uncollated Case : /home/patti/OpenFOAM/tutorials/combustion/reactingFoam/RAS/DLR_A_LTS/chemkin nProcs : 1 trapFpe: Floating point exception trapping enabled (FOAM_SIGFPE). fileModificationChecking : Monitoring run-time modified files using timeStampMaster (fileModificationSkew 10) allowSystemOperations : Allowing user-supplied system call operations // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // --> FOAM FATAL ERROR: while reading thermodynamic specie name on line 11 '(ch2o)3 70590c 3h 6o 3 g 0300.00 4000.00 1500.00 1 From function int Foam::chemkinReader::lex() in file chemistryReaders/chemkinReader/chemkinLexer.L at line 1453. FOAM exiting bash@OpenFoam >>> ___________________________________________________________________ I TRIED REMOVING SPECIES WHICH BEGIN WITH "(" ------------------------------------------------------------------- bash@OpenFoam >>> chemkinToFoam nbutane_mech.txt nbutane_thermo.txt transportProperties chem thermo /*---------------------------------------------------------------------------*\ | ========= | | | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | | \\ / O peration | Version: 1912 | | \\ / A nd | Website: www.openfoam.com | | \\/ M anipulation | | \*---------------------------------------------------------------------------*/ Build : _e53419c0-20200203 OPENFOAM=1912 patch=200129 Arch : "LSB;label=32;scalar=64" Exec : chemkinToFoam nbutane_mech.txt nbutane_thermo.txt transportProperties chem thermo Date : Feb 09 2020 Time : 10:14:51 Host : linux-lhkc PID : 9657 I/O : uncollated Case : /home/patti/OpenFOAM/tutorials/combustion/reactingFoam/RAS/DLR_A_LTS/chemkin nProcs : 1 trapFpe: Floating point exception trapping enabled (FOAM_SIGFPE). fileModificationChecking : Monitoring run-time modified files using timeStampMaster (fileModificationSkew 10) allowSystemOperations : Allowing user-supplied system call operations // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // --> FOAM FATAL ERROR: while reading thermodynamic specie name on line 11 'al 62987al 1 g 0300.00 5000.00 0600.00 1 From function int Foam::chemkinReader::lex() in file chemistryReaders/chemkinReader/chemkinLexer.L at line 1453. FOAM exiting bash@OpenFoam >>> (I tried converting to uppercase with: tr '[A-Z]' '[a-z]' < $fileName but received the same error.) | ||||
| Tags | No tags attached. | ||||
|
|
nbutane_mech.txt (51,263 bytes)
! reference:
! Marinov, N. M., Pitz, W. J., Westbrook, C. K., Vincitore, A. M.,
! Castaldi, M. J., Senkan, S. M. "Aromatic and Polycyclic Aromatic
! Hydrocarbon Formation in a Laminar Premixed n-Butane Flame"
! Combustion and Flame 114 192-213 (1998).
! UCRL-WEB-204236
! Review and release date: May 19, 2004.
!
! Date: Tue, 19 Jan 1999 11:38:35 -0800 (PST)
! From: "Nick M. Marinov" <marinov1@llnl.gov>
elements h o c ar n end
species
h2 h
ch4 ch3 ch2 ch ch2o hco co2 co o2 o oh ho2 h2o2 h2o
c2h hcco c2h2 c2h3 c2h4 c2h5 c2h6 ch2oh ch3o hccoh h2ccch
c3h2 ch2(s) ch2co c4h2 c5h2 c5h3 c6h2 c2 c2o c hcoh
ch2chcch hcchcch h2cccch c6h5 c6h6 c6h5o
ch2chchch ch2chcch2
h2c4o ch2chchch2 ch3oh ch2hco
c-c5h5 c-c5h5o c-c5h6 c6h5oh c10h8 c-c5h4oh c-c5h4o
c4h10 pc4h9 sc4h9 c4h8-1 c4h8-2 c4h7
c3h6 ac3h5 pc3h5
sc3h5 ch2chcho pc3h4 ac3h4 ch3co c6h5ch2 c6h5ch3
ch2chco ch3chco ch3hco chocho
c3h8 ic3h7 nc3h7 ch3chcch2 ch3ccch2
c6h5c2h5 c10h10 c10h9 c10h7
c6h4c2h3 c6h4c2h c6h5c2h3 c6h5c2h c10h7o
c6h5cho c6h5co hoc6h4ch3 c6h5ch2oh oc6h4o
oc6h4ch3 c10h7ch2 c10h7ch3
ch3c6h4ch3 indene indenyl acenphthln phnthrn
ch3chcch ch3ch2cch ch3c6h4ch2
phnthryl-1 phnthryl-9 flrnthn
ch3c6h4c2h3 ch3c6h4c2h5
c-2*4c6h6o c-c5h7 l-c5h8 l-c5h7
c10h7c2h5 c10h7c2h3 c10h7oh c6h5cco
c6h5chch c6h5cch2 c10h7cch2 c10h7cch c10h6cch
anthracn ch3indene ch3indenyl ch3phnthrn pyrene
fluoryl fluorene h2cccch2 chchcho hcccho hccco
hc4-p(def)pthn hc4-p(def)pthyl phnthroxy-1 phnthroxy-9
bz(a)ndene bz(a)ndnyl phnthrol-1 phnthrol-9 biphenyl bz(a)phnthrn
bz(ghi)fln fulvene ch3cy24pd ch3cy24pd1 ch3dcy24pd cyc6h7
fulvenyl ar n2 end
thermo
end
reactions
oh+h2=h+h2o 2.14E+08 1.52 3449.0 !Marinov 1995a
o+oh=o2+h 2.02E+14 -0.4 0.0 !Marinov 1995a
o+h2=oh+h 5.06E+04 2.67 6290.0 !Marinov 1995a
h+o2(+m)=ho2(+m) 4.52E+13 0.0 0.0 !Marinov 1995a
low / 1.05E+19 -1.257 0.0 / !Marinov 1995a
! h2o/0.0/ h2/0.0/ ch4/10.0/ co2/3.8/ co/1.9/
h2o/0.0/ h2/0.0/ n2/0.0/ ch4/10.0/ co2/3.8/ co/1.9/
h+o2(+n2)=ho2(+n2) 4.52E+13 0.0 0.0 !Marinov 1995a
low / 2.03E+20 -1.59 0.0 / !Marinov 1995a
h+o2(+h2)=ho2(+h2) 4.52E+13 0.0 0.0 !Marinov 1995a
low / 1.52E+19 -1.133 0.0 / !Marinov 1995a
h+o2(+h2o)=ho2(+h2o) 4.52E+13 0.0 0.0 !Marinov 1995a
low / 2.10E+23 -2.437 0.0 / !Marinov 1995a
oh+ho2=h2o+o2 2.13E+28 -4.827 3500.0 !Hippler 1995
dup
oh+ho2=h2o+o2 9.10E+14 0.0 10964.0 !Hippler 1995
dup
h+ho2=oh+oh 1.50E+14 0.0 1000.0 !Marinov 1995a
h+ho2=h2+o2 8.45E+11 0.65 1241.0 !Marinov 1995a
h+ho2=o+h2o 3.01E+13 0.0 1721.0 !Marinov 1995a
o+ho2=o2+oh 3.25E+13 0.0 0.0 !Marinov 1995a
oh+oh=o+h2o 3.57E+04 2.4 -2112.0 !Marinov 1995a
h+h+m=h2+m 1.00E+18 -1.0 0.0 !Marinov 1995a
h2o/0.0/ h2/0.0/
h+h+h2=h2+h2 9.20E+16 -0.6 0.0 !Marinov 1995a
h+h+h2o=h2+h2o 6.00E+19 -1.25 0.0 !Marinov 1995a
h+oh+m=h2o+m 2.21E+22 -2.0 0.0 !Marinov 1995a
h2o/6.4/
h+o+m=oh+m 4.71E+18 -1.0 0.0 !Marinov 1995a
h2o/6.4/
o+o+m=o2+m 1.89E+13 0.0 -1788.0 !Marinov 1995a
ho2+ho2=h2o2+o2 4.20E+14 0.0 11982.0 !Marinov 1995a
dup
ho2+ho2=h2o2+o2 1.30E+11 0.0 -1629.0 !Marinov 1995a
dup
oh+oh(+m)=h2o2(+m) 1.24E+14 -0.37 0.0 !Marinov 1995a
low / 3.04E+30 -4.63 2049.0 / !Marinov 1995a
troe / 0.470 100.0 2000.0 1.0E+15/
h2o2+h=ho2+h2 1.98E+06 2.0 2435.0 !Marinov 1995a
h2o2+h=oh+h2o 3.07E+13 0.0 4217.0 !Marinov 1995a
h2o2+o=oh+ho2 9.55E+06 2.0 3970.0 !Marinov 1995a
h2o2+oh=h2o+ho2 2.40E+00 4.042 -2162.0 !Marinov 1995a
ch3+ch3(+m)=c2h6(+m) 9.22E+16 -1.174 636.0 !Walter 1990
low / 1.14E+36 -5.246 1705.0/ !Walter 1990
troe/ 0.405 1120.0 69.6 1.0E+15/
h2o/5.0/ h2/2.0/ co2/3.0/ co/2.0/
ch3+h(+m)=ch4(+m) 2.14E+15 -0.4 0.0 !Tsang 1986
low/ 3.31E+30 -4.0 2108.0 / ! (a)
troe / 0.0 1.0E-15 1.0E-15 40.0/
h2o/5.0/ h2/2.0/ co2/3.0/ co/2.0/
ch4+h=ch3+h2 2.20E+04 3.0 8750.0 !Miller 1992
ch4+oh=ch3+h2o 4.19E+06 2.0 2547.0 !Marinov 1995
ch4+o=ch3+oh 6.92E+08 1.56 8485.0 !Marinov 1995
ch4+ho2=ch3+h2o2 1.12E+13 0.0 24640.0 !Marinov 1995
ch3+ho2=ch3o+oh 7.00E+12 0.0 0.0 !Troe 1993
ch3+ho2=ch4+o2 3.00E+12 0.0 0.0 !Marinov 1995
ch3+o=ch2o+h 8.00E+13 0.0 0.0 !Marinov 1995
ch3+o2=ch3o+o 1.45E+13 0.0 29209.0 !Klatt 1991
ch3+o2=ch2o+oh 2.51E+11 0.0 14640.0 !Marinov 1995
ch3o+h=ch3+oh 1.00E+14 0.0 0.0 !Miller 1992
ch3+oh=ch2(s)+h2o 2.65E+13 0.0 2186.0 !Humpfer 1994
ch3+oh=ch2+h2o 3.00E+06 2.0 2500.0 !Marinov 1996
ch3+oh=hcoh+h2 5.48E+13 0.0 2981.0 !Humpfer 1994
ch3+oh=ch2o+h2 2.25E+13 0.0 4300.0 ! (b)
ch3+h=ch2+h2 9.00E+13 0.0 15100.0 !Miller 1992
ch3+m=ch+h2+m 6.90E+14 0.0 82469.0 !Markus 1992
ch3+m=ch2+h+m 1.90E+16 0.0 91411.0 !Markus 1992
ch3+oh(+m)=ch3oh(+m) 5.65E+13 0.1 0.0 !Fagerstrom 1993
low/ 5.75E+41 -7.4 626.0 / ! (c)
troe / 0.025 1.0E-15 8000.0 3000.0/
h2o /16.0/ h2/2.0/ co2/3.0/ co/2.0/
ch3oh(+m)=hcoh+h2(+m) 4.15E+16 -0.15 92285.0 ! (d)
low / 4.23E+44 -7.65 92911.0 /
troe / 0.025 1.0E-15 8000.0 3000.0/
h2o/16.0/ h2/2.0/ co2/3.0/ co/2.0/
ch3oh+oh=ch2oh+h2o 2.61E+05 2.182 -1344.0 !Tsang 1987
ch3oh+oh=ch3o+h2o 2.62E+06 2.056 916.0 !Tsang 1987
ch3oh+o=ch2oh+oh 3.88E+05 2.5 3080.0 !Tsang 1987
ch3oh+h=ch2oh+h2 1.70E+07 2.1 4868.0 !Tsang 1987
ch3oh+h=ch3o+h2 4.24E+06 2.1 4868.0 !Tsang 1987
ch3oh+ho2=ch2oh+h2o2 9.64E+10 0.0 12578.0 !Tsang 1987
ch3o+m=ch2o+h+m 5.45E+13 0.0 13497.0 !Choudhury1990
ch2oh+m=ch2o+h+m 1.00E+14 0.0 25000.0 !Miller 1992
ch3o+h=ch2o+h2 2.00E+13 0.0 0.0 !Miller 1992
ch2oh+h=ch2o+h2 2.00E+13 0.0 0.0 !Miller 1992
ch3o+oh=ch2o+h2o 1.00E+13 0.0 0.0 !Miller 1992
ch2oh+oh=ch2o+h2o 1.00E+13 0.0 0.0 !Miller 1992
ch3o+o=ch2o+oh 1.00E+13 0.0 0.0 !Miller 1992
ch2oh+o=ch2o+oh 1.00E+13 0.0 0.0 !Miller 1992
ch3o+o2=ch2o+ho2 6.30E+10 0.0 2600.0 !Miller 1992
ch2oh+o2=ch2o+ho2 1.57E+15 -1.0 0.0 !Baulch 1992
dup
ch2oh+o2=ch2o+ho2 7.23E+13 0.0 3577.0 !Baulch 1992
dup
hcoh+oh=hco+h2o 2.00E+13 0.0 0.0 !Marinov 1996
hcoh+h=ch2o+h 2.00E+14 0.0 0.0 !Marinov 1996
hcoh+o=co2+h+h 5.00E+13 0.0 0.0 !Marinov 1996
hcoh+o=co+oh+h 3.00E+13 0.0 0.0 !Marinov 1996
hcoh+o2=co2+h+oh 5.00E+12 0.0 0.0 ! (e)
hcoh+o2=co2+h2o 3.00E+13 0.0 0.0 ! (e)
ch2+h=ch+h2 1.00E+18 -1.56 0.0 !Miller 1992
ch2+oh=ch+h2o 1.13E+07 2.0 3000.0 !Miller 1992
ch2+oh=ch2o+h 2.50E+13 0.0 0.0 !Miller 1992
ch2+co2=ch2o+co 1.10E+11 0.0 1000.0 !Miller 1992
ch2+o=co+h+h 5.00E+13 0.0 0.0 !Miller 1992
ch2+o=co+h2 3.00E+13 0.0 0.0 !Miller 1992
ch2+o2=ch2o+o 3.29E+21 -3.3 2868.0 ! (f)
ch2+o2=co2+h+h 3.29E+21 -3.3 2868.0 ! (f)
ch2+o2=co2+h2 1.01E+21 -3.3 1508.0 ! (f)
ch2+o2=co+h2o 7.28E+19 -2.54 1809.0 ! (f)
ch2+o2=hco+oh 1.29E+20 -3.3 284.0 ! (f)
ch2+ch3=c2h4+h 4.00E+13 0.0 0.0 ! Miller 1992
ch2+ch2=c2h2+h+h 4.00E+13 0.0 0.0 ! Miller 1992
ch2+hcco=c2h3+co 3.00E+13 0.0 0.0 ! Miller 1992
ch2+c2h2=h2ccch+h 1.20E+13 0.0 6600.0 ! Miller 1992
ch2(s)+m=ch2+m 1.00E+13 0.0 0.0 ! Miller 1992
h /12.0/ c2h2 /4.0/ h2o/3.0/
ch2(s)+ch4=ch3+ch3 4.00E+13 0.0 0.0 ! Miller 1992
ch2(s)+c2h6=ch3+c2h5 1.20E+14 0.0 0.0 ! Miller 1992
ch2(s)+o2=co+oh+h 7.00E+13 0.0 0.0 ! Miller 1992
ch2(s)+h2=ch3+h 7.00E+13 0.0 0.0 ! Miller 1992
ch2(s)+c2h2=h2ccch+h 1.50E+14 0.0 0.0 ! Canosa-Mas85
ch2(s)+c2h4=ac3h5+h 1.30E+14 0.0 0.0 ! Canosa-Mas85
ch2(s)+o=co+h+h 3.00E+13 0.0 0.0 ! Miller 1992
ch2(s)+oh=ch2o+h 3.00E+13 0.0 0.0 ! Miller 1992
ch2(s)+h=ch+h2 3.00E+13 0.0 0.0 ! Miller 1992
ch2(s)+co2=ch2o+co 3.00E+12 0.0 0.0 ! Miller 1992
ch2(s)+ch3=c2h4+h 2.00E+13 0.0 0.0 ! Miller 1992
ch2(s)+ch2co=c2h4+co 1.60E+14 0.0 0.0 ! Miller 1992
ch+o2=hco+o 3.30E+13 0.0 0.0 ! Miller 1992
ch+o=co+h 5.70E+13 0.0 0.0 ! Miller 1992
ch+oh=hco+h 3.00E+13 0.0 0.0 ! Miller 1992
ch+oh=c+h2o 4.00E+07 2.0 3000.0 ! Miller 1992
ch+co2=hco+co 3.40E+12 0.0 690.0 ! Miller 1992
ch+h=c+h2 1.50E+14 0.0 0.0 ! Miller 1992
ch+h2o=ch2o+h 1.17E+15 -0.75 0.0 ! Miller 1992
ch+ch2o=ch2co+h 9.46E+13 0.0 -515.0 ! Miller 1992
ch+c2h2=c3h2+h 1.00E+14 0.0 0.0 ! Miller 1992
ch+ch2=c2h2+h 4.00E+13 0.0 0.0 ! Miller 1992
ch+ch3=c2h3+h 3.00E+13 0.0 0.0 ! Miller 1992
ch+ch4=c2h4+h 6.00E+13 0.0 0.0 ! Miller 1992
c+o2=co+o 2.00E+13 0.0 0.0 ! Miller 1992
c+oh=co+h 5.00E+13 0.0 0.0 ! Miller 1992
c+ch3=c2h2+h 5.00E+13 0.0 0.0 ! Miller 1992
c+ch2=c2h+h 5.00E+13 0.0 0.0 ! Miller 1992
ch2o+oh=hco+h2o 3.43E+09 1.18 -447.0 ! Miller 1992
ch2o+h=hco+h2 2.19E+08 1.77 3000.0 ! Miller 1992
ch2o+m=hco+h+m 3.31E+16 0.0 81000.0 ! Miller 1992
ch2o+o=hco+oh 1.80E+13 0.0 3080.0 ! Miller 1992
hco+o2=ho2+co 7.58E+12 0.0 410.0 ! Timonen 1988
hco+m=h+co+m 1.86E+17 -1.0 17000.0 ! Timonen 1987
h2o/5.0/ h2/1.87/ co2/3.0/ co/1.87/ ch4/2.81/
hco+oh=h2o+co 1.00E+14 0.0 0.0 ! Miller 1992
hco+h=co+h2 1.19E+13 0.25 0.0 ! Miller 1992
hco+o=co+oh 3.00E+13 0.0 0.0 ! Miller 1992
hco+o=co2+h 3.00E+13 0.0 0.0 ! Miller 1992
co+oh=co2+h 9.42E+03 2.25 -2351.0 ! (g)
co+o+m=co2+m 6.17E+14 0.0 3000.0 ! Miller 1992
co+o2=co2+o 2.53E+12 0.0 47688.0 ! Miller 1992
co+ho2=co2+oh 5.80E+13 0.0 22934.0 ! Miller 1992
c2h6+ch3=c2h5+ch4 5.50E-01 4.0 8300.0 ! Miller 1992
c2h6+h=c2h5+h2 5.40E+02 3.5 5210.0 ! Miller 1992
c2h6+o=c2h5+oh 3.00E+07 2.0 5115.0 ! Miller 1992
c2h6+oh=c2h5+h2o 7.23E+06 2.0 864.0 ! Baulch 1992
c2h5+h=c2h4+h2 1.25E+14 0.0 8000.0 ! Marinov 1995
c2h5+h=ch3+ch3 3.00E+13 0.0 0.0 ! Warnatz 1984
c2h5+h=c2h6 1.00E+14 0.0 0.0 ! Marinov 1996
c2h5+oh=c2h4+h2o 4.00E+13 0.0 0.0 ! Marinov 1995
c2h5+o=ch3+ch2o 1.00E+14 0.0 0.0 ! Herron 1988
c2h5+ho2=ch3+ch2o+oh 3.00E+13 0.0 0.0 ! Marinov 1995
c2h5+o2=c2h4+ho2 3.00E+20 -2.86 6760.0 ! Marinov 1995
c2h4+h=c2h3+h2 3.36E-07 6.0 1692.0 ! Dagaut 1990
c2h4+oh=c2h3+h2o 2.02E+13 0.0 5936.0 ! Miller 1992
c2h4+o=ch3+hco 1.02E+07 1.88 179.0 ! Baulch 1994
c2h4+o=ch2hco+h 3.39E+06 1.88 179.0 ! Baulch 1994
c2h4+ch3=c2h3+ch4 6.62E+00 3.7 9500.0 ! Marinov 1995
c2h4+h (+m)=c2h5(+m) 1.08E+12 0.454 1822.0 ! Feng 1993
low / 1.112E+34 -5.0 4448.0 / ! (h)
troe / 1.0 1.0E-15 95.0 200.0 /
h2o /5.0/ h2/2.0/ co2/3.0/ co/2.0/
c2h4(+m)=c2h2+h2(+m) 1.8E+13 0.0 76000. ! Towell 1961
low / 1.5E+15 0.0 55443. / ! Kiefer 1983
c2h4(+m)=c2h3+h(+m) 2.00E+16 0.0 110000. ! Dean 1985
low / 1.4E+15 0.0 81833. / ! Kiefer 1983
c2h3+h=c2h2+h2 4.00E+13 0.0 0.0 ! Miller 1992
c2h3+o=ch2co+h 3.00E+13 0.0 0.0 ! Miller 1992
c2h3+o2=ch2o+hco 1.70E+29 -5.312 6500. ! Marinov 1998
c2h3+o2=ch2hco+o 3.50E+14 -0.611 5260. ! Marinov 1998
c2h3+o2=c2h2+ho2 2.12E-06 6.0 9484.0 ! cfm/nmm 1996
c2h3+oh=c2h2+h2o 2.00E+13 0.0 0.0 ! Miller 1992
c2h3+c2h=c2h2+c2h2 3.00E+13 0.0 0.0 ! Miller 1992
c2h3+ch=ch2+c2h2 5.00E+13 0.0 0.0 ! Miller 1992
c2h3+ch3=ac3h5+h 4.73E+02 3.7 5677.0 ! (i)
c2h3+ch3=c3h6 4.46E+56 -13.0 13865.0 ! (i)
c2h3+ch3=c2h2+ch4 2.00E+13 0.0 0.0 ! Fahr 1991
c2h3+c2h2=ch2chcch+h 2.00E+12 0.0 5000.0 ! Miller 1992
c2h3+c2h4=ch2chchch2+h 5.00E+11 0.0 7304.0 ! Tsang 1986
c2h3+c2h3=ch2chcch2+h 7.00E+13 0.0 0.0 ! Fahr 1991
c2h3+c2h3=c2h4+c2h2 1.45E+13 0.0 0.0 ! Fahr 1991
c2h2+oh=c2h+h2o 3.37E+07 2.0 14000.0 ! Miller 1992
c2h2+oh=hccoh+h 5.04E+05 2.3 13500.0 ! Miller 1992
c2h2+oh=ch2co+h 2.18E-04 4.5 -1000.0 ! Miller 1992
dup
c2h2+oh=ch2co+h 2.00E+11 0.0 0.0 ! Vandooren 1977
dup
c2h2+oh=ch3+co 4.83E-04 4.0 -2000.0 ! Miller 1992
hccoh+h=ch2co+h 1.00E+13 0.0 0.0 ! Miller 1992
c2h2+o=ch2+co 6.12E+06 2.0 1900.0 ! (j)
c2h2+o=hcco+h 1.43E+07 2.0 1900.0 ! (j)
c2h2+o=c2h+oh 3.16E+15 -0.6 15000.0 ! Miller 1992
c2h2+ch3=c2h+ch4 1.81E+11 0.0 17289.0 ! Tsang 1986
c2h2+o2=hcco+oh 4.00E+07 1.5 30100. ! Marinov 1998
c2h2+m=c2h+h+m 4.20E+16 0.0 107000.0 ! Miller 1992
c2h2+h (+m)=c2h3(+m) 3.11E+11 0.58 2589.0 ! Knyazev 1995
low / 2.25E+40 -7.269 6577.0 / ! (k)
troe /1.0 1.0E-15 675.0 1.0E+15 /
h2o /5.0/ h2/2.0/ co2/3.0/ co/2.0/
ch3hco+oh=ch3co+h2o 5.37E+10 0.73 -1110.0 ! Marinov 1995
ch3hco+h=ch3co+h2 4.09E+09 1.16 2400.0 ! Marinov 1995
ch3hco+o=ch3co+oh 5.89E+12 0.0 1810.0 ! Marinov 1995
ch3hco+ho2=ch3co+h2o2 1.70E+12 0.0 10700.0 ! Marinov 1995
ch3hco+o2=ch3co+ho2 2.00E+13 0.5 42200.0 ! Marinov 1995
ch3hco+ch3=ch3co+ch4 2.00E-06 5.64 2464.0 ! Marinov 1996
ch2hco+h=ch2co+h2 4.00E+13 0.0 0.0 ! Marinov 1996
ch2hco+o=ch2o+hco 1.00E+14 0.0 0.0 ! Marinov 1996
ch2hco+oh=ch2co+h2o 3.00E+13 0.0 0.0 ! Marinov 1996
ch2hco+o2=ch2o+co+oh 3.00E+10 0.0 0.0 ! Baulch 1992
ch2hco+ch3=>c2h5+co+h 4.90E+14 -0.50 0.0 ! (l)
ch2hco=ch2co+h 3.95E+38 -7.649 45115.0 ! Marinov 1995
chocho(+m)=ch2o+co(+m) 4.27E+12 0.0 50600.0 ! Marinov 1995
low / 8.91E+16 0.0 49200.0 / ! Marinov 1995
chocho=co+co+h2 4.07E+42 -8.5 69278.0 ! (m)
chocho+oh=hco+co+h2o 1.00E+13 0.0 0.0 ! Marinov 1995
chocho+o=hco+co+oh 7.24E+12 0.0 1970.0 ! Marinov 1995
chocho+h=ch2o+hco 1.00E+12 0.0 0.0 ! Marinov 1995
chocho+ho2=hco+co+h2o2 1.70E+12 0.0 10700.0 ! Marinov 1995
chocho+ch3=hco+co+ch4 1.74E+12 0.0 8440.0 ! Marinov 1995
chocho+o2=hco+co+ho2 1.00E+14 0.0 37000.0 ! Marinov 1995
ch3co(+m)=ch3+co(+m) 3.00E+12 0.0 16722.0 ! Warnatz 1984
low / 1.20E+15 0.0 12518.0 / ! Warnatz 1984
ch2co+o=co2+ch2 1.75E+12 0.0 1350.0 ! Marinov 1995
ch2co+h=ch3+co 7.00E+12 0.0 3011.0 ! Warnatz 1984
ch2co+h=hcco+h2 2.00E+14 0.0 8000.0 ! (n)
ch2co+o=hcco+oh 1.00E+13 0.0 8000.0 ! Miller 1992
ch2co+oh=hcco+h2o 1.00E+13 0.0 2000.0 ! Miller 1992 (o)
ch2co+oh=ch2oh+co 3.73E+12 0.0 -1013.0 ! Brown 1989
ch2co(+m)=ch2+co(+m) 3.00E+14 0.0 70980.0 ! Miller 1992
low / 3.60E+15 0.0 59270.0 / ! Miller 1992
c2h+h2=c2h2+h 4.09E+05 2.39 864.3 ! Miller 1992
c2h+o=ch+co 5.00E+13 0.0 0.0 ! Miller 1992
c2h+oh=hcco+h 2.00E+13 0. 0.0 ! Miller 1992
c2h+oh=c2+h2o 4.00E+07 2.0 8000.0 ! Miller 1992
c2h+o2=co+co+h 9.04E+12 0.0 -457.0 ! Opansky 1993
c2h+c2h2=c4h2+h 9.64E+13 0.0 0.0 ! Farhat 1993
c2h+c2h4=ch2chcch+h 1.20E+13 0.0 0.0 ! Tsang 1986
hcco+c2h2=h2ccch+co 1.00E+11 0.0 3000.0 ! Miller 1992
hcco+h=ch2(s)+co 1.00E+14 0.0 0.0 ! Miller 1992
hcco+o=h+co+co 8.00E+13 0.0 0.0 ! Peeters 1995
hcco+o=ch+co2 2.95E+13 0.0 1113.0 ! Peeters 1995
hcco+o2=hco+co+o 2.50E+08 1.0 0.0 ! Marinov 1998
hcco+o2=co2+hco 2.40E+11 0.0 -854.0 ! Marinov 1998
hcco+ch=c2h2+co 5.00E+13 0.0 0.0 ! Miller 1992
hcco+hcco=c2h2+co+co 1.00E+13 0.0 0.0 ! Miller 1992
hcco+oh=c2o+h2o 3.00E+13 0.0 0.0 ! Miller 1992
c2o+h=ch+co 1.00E+13 0.0 0.0 ! Miller 1992
c2o+o=co+co 5.00E+13 0.0 0.0 ! Miller 1992
c2o+oh=co+co+h 2.00E+13 0.0 0.0 ! Miller 1992
c2o+o2=co+co+o 2.00E+13 0.0 0.0 ! Miller 1992
c2+h2=c2h+h 4.00E+05 2.4 1000.0 ! Miller 1992
c2+o2=co+co 5.00E+13 0.0 0.0 ! Miller 1992
c2+oh=c2o+h 5.00E+13 0.0 0.0 ! Miller 1992
c3h8(+m)=c2h5+ch3(+m) 7.90E+22 -1.8 88629.0 ! Tsang 1988
low / 7.237E+27 -2.88 67448.0 / ! Al-Alami 1983
troe /1.0 1.0E-15 1500.0 1.0E+15/
h2o/5.0/ co2/3.0/ co/2.0/ h2/2.0/
c3h8+o2=ic3h7+ho2 4.00E+13 0.0 48610.0 ! Tsang 1988
c3h8+o2=nc3h7+ho2 4.00E+13 0.0 51360.0 ! Tsang 1988
c3h8+ho2=nc3h7+h2o2 4.76E+04 2.55 16492.0 ! Tsang 1988
c3h8+ho2=ic3h7+h2o2 9.64E+03 2.6 13909.0 ! Tsang 1988
c3h8+oh=nc3h7+h2o 3.16E+07 1.8 934.0 ! Cohen 1991
c3h8+oh=ic3h7+h2o 7.08E+06 1.9 -159.0 ! Cohen 1991
c3h8+o=nc3h7+oh 3.73E+06 2.4 5504.0 ! Cohen 1986
c3h8+o=ic3h7+oh 5.48E+05 2.5 3139.0 ! Cohen 1986
c3h8+h=ic3h7+h2 1.30E+06 2.4 4471.0 ! Tsang 1988
c3h8+h=nc3h7+h2 1.33E+06 2.54 6756.0 ! Tsang 1988
c3h8+ch3=nc3h7+ch4 9.04E-01 3.65 7153.0 ! Tsang 1988
c3h8+ch3=ic3h7+ch4 1.51E+00 3.46 5480.0 ! Tsang 1988
c3h8+c2h3=ic3h7+c2h4 1.00E+03 3.1 8830.0 ! Tsang 1988
c3h8+c2h3=nc3h7+c2h4 6.00E+02 3.3 10500.0 ! Tsang 1988
c3h8+c2h5=ic3h7+c2h6 1.51E+00 3.46 7470.0 ! Tsang 1988
c3h8+c2h5=nc3h7+c2h6 9.03E-01 3.65 9140.0 ! Tsang 1988
c3h8+ac3h5=c3h6+nc3h7 2.35E+02 3.3 19842.0 ! Tsang 1988
c3h8+ac3h5=c3h6+ic3h7 7.83E+01 3.3 18169.0 ! Tsang 1988
nc3h7(+m)=c2h4+ch3(+m) 1.23E+13 -0.1 30202.0 ! Bencsura 1992
low / 5.485E+49 -10.0 35766.0 / ! Bencsura 1992
troe / 2.17 1.0E-15 251.0 1185.0 /
h2o /5.0/ h2/2.0/ co2/3.0/ co/2.0/
nc3h7+o2=c3h6+ho2 3.58E+09 0.0 -3532.0 ! Dagaut 1992
ic3h7+o2=c3h6+ho2 6.10E+20 -2.86 7910.0 ! (p)
c3h6+h(+m)=ic3h7(+m) 5.70E+09 1.16 874.0 ! Seakins 1993
low / 1.64E+54 -11.1 9364.0 / ! Marinov 1996
troe / 1.0 1.0E-15 260.0 3000.0 /
h2o /5.0/ h2/2.0/ co2/3.0/ co/2.0/
ic3h7+h=c2h5+ch3 5.00E+13 0.0 0.0 ! Tsang 1988
nc3h7+h=c2h5+ch3 1.00E+14 0.0 0.0 ! Tsang 1988
c3h6=pc3h5+h 7.58E+14 0.0 101300.0 ! Dagaut 1992
c3h6=sc3h5+h 1.45E+15 0.0 98060.0 ! Dagaut 1992
c3h6=c2h2+ch4 2.50E+12 0.0 70000.0 ! Hidaka 1992
c3h6=ac3h4+h2 3.00E+13 0.0 80000.0 ! Hidaka 1992
c3h6+ho2=ac3h5+h2o2 9.64E+03 2.6 13910.0 ! Tsang 1991
c3h6+oh+o2=ch3hco+ch2o+oh 3.00E+10 0.0 -8280.0 ! Dagaut 1992
c3h6+oh=ac3h5+h2o 3.12E+06 2.0 -298.0 ! Tsang 1991
c3h6+oh=sc3h5+h2o 1.11E+06 2.0 1451.0 ! Tsang 1991
c3h6+oh=pc3h5+h2o 2.11E+06 2.0 2778.0 ! Tsang 1991
c3h6+o=ch3chco+h+h 5.01E+07 1.76 76.0 ! Tsang 1991
c3h6+o=c2h5+hco 1.58E+07 1.76 -1216.0 ! Tsang 1991
c3h6+o=ac3h5+oh 5.24E+11 0.7 5884.0 ! Tsang 1991
c3h6+o=pc3h5+oh 1.20E+11 0.7 8959.0 ! Tsang 1991
c3h6+o=sc3h5+oh 6.03E+10 0.7 7632.0 ! Tsang 1991
c3h6+h=c2h4+ch3 7.23E+12 0.0 1302.0 ! Tsang 1991
c3h6+h=ac3h5+h2 1.73E+05 2.5 2492.0 ! Tsang 1991
c3h6+h=sc3h5+h2 4.09E+05 2.5 9794.0 ! Tsang 1991
c3h6+h=pc3h5+h2 8.04E+05 2.5 12284.0 ! Tsang 1991
c3h6+o2=pc3h5+ho2 2.00E+13 0.0 47600.0 ! Dagaut 1992
c3h6+o2=sc3h5+ho2 2.00E+13 0.0 44000.0 ! Dagaut 1992
c3h6+o2=ac3h5+ho2 2.29E+12 0.0 39200.0 ! Dagaut 1992
c3h6+ch3=ac3h5+ch4 2.22E+00 3.5 5675.0 ! Tsang 1991
c3h6+ch3=sc3h5+ch4 8.43E-01 3.5 11656.0 ! Tsang 1991
c3h6+ch3=pc3h5+ch4 1.35E+00 3.5 12848.0 ! Tsang 1991
c3h6+hco=ac3h5+ch2o 1.08E+07 1.9 17010.0 ! Tsang 1991
ch3chco+oh=ch2chco+h2o 4.00E+06 2.0 0.0 ! (q)
ch3chco+o=ch2chco+oh 7.60E+08 1.5 8500.0 ! (q)
ch3chco+h=ch2chco+h2 2.00E+05 2.5 2500.0 ! (q)
ch3chco+h=c2h5+co 2.00E+13 0.0 2000.0 ! (r)
ch3chco+o=ch3+hco+co 3.00E+07 2.0 0.0 ! (s)
ch2chcho+oh=ch2chco+h2o 1.00E+13 0.0 0.0 ! (t)
ch2chcho+o=ch2chco+oh 7.24E+12 0.0 1970.0 ! (t)
ch2chcho+o=ch2co+hco+h 5.01E+07 1.76 76.0 ! (s)
ch2chcho+h=ch2chco+h2 3.98E+13 0.0 4200.0 ! (t)
ch2chcho+h=c2h4+hco 2.00E+13 0.0 3500.0 ! (r)
ch2chcho+o2=ch2chco+ho2 3.00E+13 0.0 36000.0 ! (u)
ch2chco=c2h3+co 1.00E+14 0.0 34000.0 ! (v)
ch2chco+o=c2h3+co2 1.00E+14 0.0 0.0 ! (w)
ac3h5+o2=ch2chcho+oh 1.82E+13 -0.41 22859.0 ! Bozzelli 1993
ac3h5+o2=ac3h4+ho2 4.99E+15 -1.4 22428.0 ! Bozzelli 1993
ac3h5+o2=ch2hco+ch2o 1.06E+10 0.34 12838.0 ! Bozzelli 1993
ac3h5+o2=c2h2+ch2o+oh 2.78E+25 -4.8 15468.0 ! Bozzelli 1993
ac3h5+ho2=ch2chcho+h+oh 1.00E+13 0.0 0.0 ! Tsang 1991
ac3h5+oh=ac3h4+h2o 1.00E+13 0.0 0.0 ! Tsang 1991
ac3h5+h=ac3h4+h2 5.00E+13 0.0 0.0 ! Tsang 1991 (x)
ac3h5+h=c3h6 1.88E+26 -3.6 5468.0 ! (y)
ac3h5+o=ch2chcho+h 1.81E+14 0.0 0.0 ! Slagle 1992
ac3h5+ch3=ac3h4+ch4 3.02E+12 -0.32 -131.0 ! Tsang 1991
ac3h5+c2h2=c-c5h6+h 2.95E+32 -5.83 25733.0 ! (y)
ac3h5+ch3=c4h8-1 1.76E+50 -11.0 18600.0 ! (y)
ac3h5+c2h3=c-c5h6+h+h 1.59E+65 -14.0 61265.0 ! (y)
pc3h5+o2=ch3hco+hco 1.09E+23 -3.29 3892.0 ! (z)
pc3h5+o2=ch3chco+h+o 1.60E+15 -0.78 3135.0 ! (z)
pc3h5+o=ch3chco+h 1.00E+14 0.0 0.0 ! (aa)
pc3h5+h=pc3h4+h2 2.00E+13 0.0 0.0 ! (aa)
pc3h5+oh=pc3h4+h2o 1.00E+13 0.0 0.0 ! (aa)
pc3h5+h=ac3h5+h 1.00E+14 0.0 0.0 ! Marinov 1996
sc3h5+h=ac3h5+h 1.00E+14 0.0 0.0 ! Marinov 1996
sc3h5+o2=ch3co+ch2o 1.09E+22 -3.29 3892.0 ! (z)
sc3h5+o=ch2co+ch3 1.00E+14 0.0 0.0 ! (aa)
sc3h5+h=pc3h4+h2 4.00E+13 0.0 0.0 ! (aa)
sc3h5+oh=pc3h4+h2o 2.00E+13 0.0 0.0 ! (aa)
ac3h4+h=h2ccch+h2 2.00E+07 2.0 5000.0 ! Marinov 1998
ac3h4+o=c2h4+co 1.34E+07 1.88 179.0 ! (bb)
ac3h4+oh=h2ccch+h2o 1.00E+07 2.0 1000.0 ! Marinov 1998
ac3h4+ch3=h2ccch+ch4 1.50E+00 3.5 5600.0 ! Marinov 1998
ac3h4=pc3h4 1.48E+13 0.0 60401. ! Lifshitz 1975
pc3h4+h=h2ccch+h2 2.00E+07 2.0 5000.0 ! Marinov 1998
pc3h4+o=c2h4+co 1.50E+13 0.0 2102.0 ! Warnatz84 (cc)
pc3h4+oh=h2ccch+h2o 1.00E+07 2.0 1000.0 ! Marinov 1998
pc3h4+ch3=h2ccch+ch4 1.50E+00 3.5 5600.0 ! Marinov 1998
pc3h4+h=ch3+c2h2 5.12E+10 1.0 2060.0 ! Marinov 1998
pc3h4+h(+m)=sc3h5(+m) 6.50E+12 0.0 2000.0 ! Wagner 1972
low / 8.45E+39 -7.27 6577.0 / ! (dd)
ac3h4+h(+m)=ac3h5(+m) 1.20E+11 0.69 3007.0 ! Tsang 1992
low / 5.56E+33 -5.0 4448.0 / ! (ee)
ac3h4+h(+m)=sc3h5(+m) 8.49E+12 0.0 2000.0 ! Wagner 1972
low / 1.11E+34 -5.0 4448.0 / ! (ee)
h2ccch+o2=ch2co+hco 3.00E+10 0.0 2868.0 ! Miller 1992
h2ccch+o=ch2o+c2h 2.00E+13 0.0 0.0 ! Miller 1992
h2ccch+h=c3h2+h2 5.00E+13 0.0 3000.0 ! Miller 1992
h2ccch+oh=c3h2+h2o 2.00E+13 0.0 0.0 ! Miller 1992
h2ccch+c2h3=c-c5h5+h 9.63E+40 -7.8 28820.0 ! Marinov 1996
h2ccch+ch3=ch3chcch2 5.00E+12 0.0 0.0 ! Wu 1987
h2ccch+ch3=ch3ch2cch 5.00E+12 0.0 0.0 ! Wu 1987
h2ccch+ch=hcchcch+h 7.00E+13 0.0 0.0 ! Miller 1992
h2ccch+ch=h2cccch+h 7.00E+13 0.0 0.0 ! Miller 1992
h2ccch+h(+m)=ac3h4(+m) 1.66E+15 -0.37 0.0 ! (ff)
low / 3.36E+45 -8.52 6293.0 / ! Kiefer 1995 (gg)
h2o/5.0/ h2/2.0/ co2/3.0/ co/2.0/ o2/2.0/ c2h2/2.0/
h2ccch+h(+m)=pc3h4(+m) 1.66E+15 -0.37 0.0 ! (ff)
low / 8.78E+45 -8.9 7974.0 / ! Kiefer 1995 (gg)
h2o /5.0/ h2/2.0/ co2/3.0/ co/2.0/ o2/2.0/ c2h2/2.0/
h2ccch+h2ccch=c6h6 5.562e20 -2.535 1692.0 ! Marinov 1998
h2ccch+ac3h5=fulvene+h+h 5.562e20 -2.535 1692.0 ! Marinov 1998
h2ccch+h2ccch=c6h5+h 2.00e12 0.0 0.0 ! Marinov 1998
c3h2+o2=hcco+co+h 5.00E+13 0.0 0.0 ! Miller 1992
c3h2+oh=c2h2+hco 5.00E+13 0.0 0.0 ! Miller 1992
chchcho+o2=hco+chocho 3.00E+12 0.0 0.0 ! (hh)
chchcho=c2h2+hco 1.00E+14 0.0 33000.0 ! (ii)
chchcho+h=ch2chco+h 1.00E+14 0.0 0.0 ! Marinov 1996
chchcho+oh=hcccho+h2o 1.00E+13 0.0 0.0 ! (aa)
chchcho+h=hcccho+h2 2.00E+13 0.0 0.0 ! (aa)
hcccho+h=c2h2+hco 1.00E+14 0.0 3000.0 ! (jj)
hcccho+oh=hccco+h2o 1.00E+13 0.0 0.0 ! (t)
hcccho+h=hccco+h2 4.00E+13 0.0 4200.0 ! (t)
hccco+o2=hco+co+co 1.40E+09 1.0 0.0 ! (kk)
hccco+h=c2h2+co 1.00E+14 0.0 0.0 ! (kk)
c4h10=c2h5+c2h5 2.00E+16 0.0 81300.0 ! Pitz 1991
c4h10=nc3h7+ch3 1.74E+17 0.0 85700.0 ! Pitz 1991
c4h10=pc4h9+h 1.00E+14 0.0 100000.0 ! Pitz 1991
c4h10=sc4h9+h 1.00E+14 0.0 100000.0 ! Pitz 1991
c4h10+o2=pc4h9+ho2 2.50E+13 0.0 49000.0 ! Pitz 1991
c4h10+o2=sc4h9+ho2 4.00E+13 0.0 47600.0 ! Pitz 1991
c4h10+ac3h5=pc4h9+c3h6 7.94E+11 0.0 20500.0 ! Pitz 1991
c4h10+ac3h5=sc4h9+c3h6 3.16E+11 0.0 16400.0 ! Pitz 1991
c4h10+ch3=pc4h9+ch4 5.00E+11 0.0 13600.0 ! Marinov 1998
c4h10+ch3=sc4h9+ch4 4.30E+11 0.0 10500.0 ! Marinov 1998
c4h10+h=pc4h9+h2 2.84E+05 2.54 6050.0 ! Marinov 1998
c4h10+h=sc4h9+h2 5.68E+05 2.40 3765.0 ! Marinov 1998
c4h10+oh=pc4h9+h2o 4.13E+07 1.73 753.0 ! Pitz 1991
c4h10+oh=sc4h9+h2o 7.23E+07 1.64 -247.0 ! Pitz 1991
c4h10+o=pc4h9+oh 1.13E+14 0.0 7850.0 ! Pitz 1991
c4h10+o=sc4h9+oh 5.62E+13 0.0 5200.0 ! Pitz 1991
c4h10+ho2=pc4h9+h2o2 1.70E+13 0.0 20460.0 ! Pitz 1991
c4h10+ho2=sc4h9+h2o2 1.12E+13 0.0 17700.0 ! Pitz 1991
sc4h9(+m)=c3h6+ch3(+m) 2.14E+12 0.65 30856.0 ! Knyazev 1996
low /6.323e58 -12.85 35567./
h2o/5./ h2/2./ co2/3./ co/2./
sc4h9=c4h8-1+h 2.00E+13 0.0 40400.0 ! Pitz 1991
sc4h9=c4h8-2+h 5.01E+12 0.0 37900.0 ! Pitz 1991
pc4h9(+m)=c2h5+c2h4(+m) 1.06e13 0.0 27828.0 ! Knyazev 1996
low / 1.897e55 -11.91 32263./
h2o/5./ h2/2.0/ co2/3.0/ co/2.0/
pc4h9=c4h8-1+h 1.26E+13 0.0 38600.0 ! Pitz 1991
c4h8-1=c2h3+c2h5 1.00E+19 -1.0 96770.0 ! Pitz 1991
c4h8-1=h+c4h7 4.11E+18 -1.0 97350.0 ! Pitz 1991
c4h8-1+ch3=c4h7+ch4 1.00E+11 0.0 7300.0 ! Pitz 1991
c4h8-1+h=c4h7+h2 5.00E+13 0.0 3900.0 ! Pitz 1991
c4h8-1+o=nc3h7+hco 1.80E+05 2.5 -1029.0 ! Pitz 1991
c4h8-1+o=ch2chcho+ch3+h 9.67E+04 2.5 -1029.0 ! Pitz 1991
c4h8-1+oh=c4h7+h2o 2.25E+13 0.0 2217.0 ! Pitz 1991
c4h8-1+ac3h5=c4h7+c3h6 7.90E+10 0.0 12400.0 ! Pitz 1991
c4h8-1+o2=c4h7+ho2 4.00E+12 0.0 33200.0 ! Pitz 1991
c4h8-2=h+c4h7 4.11E+18 -1.0 97350.0 ! Pitz 1991
c4h8-2+ch3=c4h7+ch4 1.00E+11 0.0 8200.0 ! Pitz 1991
c4h8-2+h=c4h7+h2 5.00E+13 0.0 3800.0 ! Pitz 1991
c4h8-2+o=ic3h7+hco 2.79E+06 2.12 -1775.0 ! Pitz 1991
c4h8-2+oh=c4h7+h2o 3.90E+13 0.0 2217.0 ! Pitz 1991
c4h8-2+o=ch3co+c2h5 1.53E+07 1.87 -1476.0 ! Adusei 1994
c4h8-2+o=ch3+ch3chco+h 8.22E+06 1.87 -1476.0 ! Adusei 1994
c4h8-2+o2=c4h7+ho2 8.00E+13 0.0 37400.0 ! Pitz 1991
c4h7=ch2chchch2+h 1.00E+14 0.0 55000.0 ! Pitz 1991
c4h7+oh=ch2chchch2+h2o 1.00E+13 0.0 0.0 ! Pitz 1991
c4h7+ch3=ch2chchch2+ch4 8.00E+12 0.0 0.0 ! Pitz 1991
c4h7+ac3h5=c3h6+ch2chchch2 6.31E+12 0.0 0.0 ! Pitz 1991
c4h7+o2=ch2chchch2+ho2 1.00E+09 0.0 0.0 ! Pitz 1991
c4h7+h=ch2chchch2+h2 3.16E+13 0.0 0.0 ! Pitz 1991
ch2chchch2+oh=ch2chchch+h2o 2.00E+07 2.0 5000.0 ! Miller 1992
ch2chchch2+oh=ch2chcch2+h2o 2.00E+07 2.0 2000.0 ! Miller 1992
ch2chchch2+o=hco+ac3h5 6.02E+08 1.45 -858.0 ! Adusei 1993
ch2chchch2+o=ch2hco+c2h3 1.00E+12 0.0 0.0 ! Pitz 1991
ch2chchch2+h=ch2chchch+h2 3.00E+07 2.0 13000.0 ! Miller 1992
ch2chchch2+h=ch2chcch2+h2 3.00E+07 2.0 6000.0 ! Miller 1992
ch3ch2cch+oh=ch3chcch+h2o 1.00E+07 2.0 2000.0 ! (q)
ch3ch2cch+h=c2h5+c2h2 1.00E+14 0.0 3000.0 ! (jj)
ch3chcch2+oh=ch2chcch2+h2o 2.00E+07 2.0 1000.0 ! (q)
ch3chcch2+oh=ch3ccch2+h2o 1.00E+07 2.0 2000.0 ! (ll)
ch3chcch2+oh=ch3chcch+h2o 2.00E+07 2.0 2500.0 ! (ll)
ch3chcch2+h=ch2chcch2+h2 5.00E+07 2.0 5000.0 ! (q)
ch3chcch2+h=ch3ccch2+h2 1.50E+07 2.0 6000.0 ! (ll)
ch3chcch2+h=ch3chcch+h2 3.00E+07 2.0 6500.0 ! (ll)
ch3chcch2+h=ch3+ac3h4 2.00E+13 0.0 2000.0 ! (r)
ch3chcch+h=ch3+h2ccch 1.00E+14 0.0 0.0 ! Marinov 1996
ch3chcch+o2=ch3chco+hco 4.16E+10 0.0 2510.0 ! Slagle 1992
ch3chcch+oh=ch2chcch+h2o 3.00E+13 0.0 0.0 ! (mm)
ch2chcch2+h=ch3+h2ccch 1.00E+14 0.0 0.0 ! (nn)
ch2chcch2+h=ch3ccch2+h 3.00E+13 0.0 0.0 ! (nn)
ch2chcch2+c2h2=c6h6+h 3.00E+11 0.0 14900.0 ! Marinov 1996
ch3ccch2+h=ch3+h2ccch 1.00E+14 0.0 0.0 ! Marinov 1996
ch3ccch2+o2=ch3co+ch2co 4.16E+10 0.0 2510.0 ! Marinov 1996
ch3ccch2+h=h2cccch2+h2 1.00E+14 0.0 8000.0 ! (mm)
ch3ccch2+oh=h2cccch2+h2o 1.00E+13 0.0 0.0 ! (mm)
ch2chchch+h=ch2chcch2+h 1.00E+14 0.0 0.0 ! Miller 1992
ch2chchch+oh=ch2chcch+h2o 2.00E+07 2.0 1000.0 ! Miller 1992
ch2chchch+h=ch2chcch+h2 3.00E+07 2.0 1000.0 ! Miller 1992
ch2chchch+c2h2=c6h6+h 1.60E+16 -1.33 5400.0 ! Wang 1994
ch3chcch(+m)=ch2chcch+h(+m) 1.00E+13 0.0 49000.0 ! (pp)
low / 2.00E+14 0.0 41000.0 / ! (pp)
ch3ccch2(+m)=h2cccch2+h(+m) 1.00E+13 0.0 56000.0! Marinov 1996
low / 2.00E14 0.0 48000.0/ ! Marinov 1996
ch2chcch2(+m)=ch2chcch+h(+m) 1.00E+14 0.0 50000.0 ! Miller 1992
low / 2.00E+15 0.0 42000.0 / ! Miller 1992
ch2chchch(+m)=ch2chcch+h(+m) 1.00E+14 0.0 37000.0 ! Miller 1992
low / 1.00E+14 0.0 30000.0 / ! Miller 1992
ch2chchch+o2=chchcho+ch2o 1.00E+12 0.0 0.0 ! (qq)
ch2chchch+o2=ch2chcch+ho2 1.00E+07 2.0 10000.0 ! (rr)
ch3ccch2+h2ccch=c6h5ch2+h 3.00E+12 0.0 0.0 ! Marinov 1996
ch3chcch+h2ccch=c6h5ch2+h 3.00E+12 0.0 0.0 ! Marinov 1996
ch3ccch2+ch3ccch2=ch3c6h4ch2+h 3.00E+12 0.0 0.0 ! Marinov 1996
ch3chcch+ch3chcch=ch3c6h4ch2+h 3.00E+12 0.0 0.0 ! Marinov 1996
h2cccch2+oh=h2cccch+h2o 2.00E+07 2.0 2000.0 ! (ss)
h2cccch2+h=h2cccch+h2 3.00E+07 2.0 6000.0 ! (ss)
ch2chcch+oh=hcchcch+h2o 7.50E+06 2.0 5000.0 ! Miller 1992
ch2chcch+h=hcchcch+h2 2.00E+07 2.0 15000.0 ! Miller 1992
ch2chcch+oh=h2cccch+h2o 1.00E+07 2.0 2000.0 ! Miller 1992
ch2chcch+h=h2cccch+h2 3.00E+07 2.0 5000.0 ! Miller 1992
hcchcch+h=h2cccch+h 1.00E+14 0.0 0.0 ! Miller 1992
hcchcch+c2h2=c6h5 9.60E+70 -17.77 31300.! Wang 1994
hcchcch+o2=hcccho+hco 3.00E+12 0.0 0.0 ! (tt)
h2cccch+o2=ch2co+hcco 1.00E+12 0.0 0.0 ! Miller 1992
h2cccch+oh=c4h2+h2o 3.00E+13 0.0 0.0 ! Miller 1992
h2cccch+o=ch2co+c2h 2.00E+13 0.0 0.0 ! Miller 1992
h2cccch+o=h2c4o+h 2.00E+13 0.0 0.0 ! Miller 1992
h2cccch+h=c4h2+h2 5.00E+13 0.0 0.0 ! Miller 1992
h2cccch+ch2=ac3h4+c2h 2.00E+13 0.0 0.0 ! Miller 1992
h2cccch+c2h2=c6h5 3.00E+11 0.0 14900.0 ! (uu)
h2cccch(+m)=c4h2+h(+m) 1.00E+14 0.0 47000.0 ! Marinov 1998
low / 2.0E+15 0.0 40000.0/ ! Marinov 1998
hcchcch(+m)=c4h2+h(+m) 1.00E+14 0.0 36000.0 ! Miller 1992
low / 1.00E+14 0.0 30000.0 / ! Miller 1992
c4h2+ch2=c5h3+h 1.30E+13 0.0 4326.0 ! Miller 1992
c4h2+ch=c5h2+h 1.00E+14 0.0 0.0 ! Miller 1992
c4h2+ch2(s)=c5h3+h 3.00E+13 0.0 0.0 ! Miller 1992
c4h2+c2h=c6h2+h 9.60E+13 0.0 0.0 ! Marinov 1996
c4h2+oh=h2c4o+h 6.66E+12 0.0 -410.0 ! Miller 1992
c4h2+o=c3h2+co 1.20E+12 0.0 0.0 ! Miller 1992
h2c4o+h=c2h2+hcco 5.00E+13 0.0 3000.0 ! Miller 1992
h2c4o+oh=ch2co+hcco 1.00E+07 2.0 2000.0 ! Miller 1992
l-c5h8+oh=l-c5h7+h2o 7.00E+06 2.0 0.0 ! (q)
l-c5h8+h=l-c5h7+h2 7.00E+06 2.0 5000.0 ! (q)
l-c5h8+h=ac3h5+c2h4 3.35E+08 1.5 2000.0 ! (r)
c-c5h7=c-c5h6+h 3.16E+15 0.0 36000.0 ! Arends 1993
c-c5h7=l-c5h7 3.16E+15 0.0 39500.0 ! Arends 1993
l-c5h7+o=ch2chcho+c2h3 2.00E+14 0.0 0.0 ! Marinov 1996
l-c5h7+h=l-c5h8 1.00E+14 0.0 0.0 ! Marinov 1996
c-c5h6+o2=c-c5h5+ho2 5.00E+13 0.0 35400.0 ! (vv)
c-c5h6+ho2=c-c5h5+h2o2 1.99E+12 0.0 11660.0 ! Emdee 1992
c-c5h6+oh=c-c5h5+h2o 3.43E+09 1.18 -447.0 ! Emdee 1992
c-c5h6+o=c-c5h5+oh 1.81E+13 0.0 3080.0 ! Emdee 1992
c-c5h6+h=c-c5h5+h2 2.19E+08 1.77 3000.0 ! Emdee 1992
c-c5h6+ch3=c-c5h5+ch4 3.11E+11 0.0 5500.0 ! (ww)
c-c5h6+c2h3=c-c5h5+c2h4 6.00E+12 0.0 0.0 ! Emdee 1992
c-c5h6+ch2chchch=c-c5h5+ch2chchch2 6.00E+12 0.0 0.0 ! Emdee 1992
c-c5h6+c6h5o=c-c5h5+c6h5oh 3.16E+11 0.0 8000.0 ! Emdee 1992
c-c5h5+h=c-c5h6 2.00E+14 0.0 0.0 ! Marinov 1996
c-c5h5+o=c-c5h4o+h 1.00E+14 0.0 0.0 ! Marinov 1996
c-c5h5+ho2=c-c5h5o+oh 3.00E+13 0.0 0.0 ! Emdee 1992
c-c5h5+oh=c-c5h4oh+h 3.00E+13 0.0 0.0 ! Emdee 1992
c-c5h5+c-c5h5=c10h8+h+h 2.00E+13 0.0 8000.0 ! Marinov 1998
c-c5h5o=ch2chchch+co 2.51E+11 0.0 43900.0 ! Emdee 1992
c-c5h4oh=c-c5h4o+h 2.10E+13 0.0 48000.0 ! Emdee 1992
c-c5h4o=co+c2h2+c2h2 1.00E+15 0.0 78000.0 ! Emdee 1992
c6h6+o2=c6h5+ho2 6.30E+13 0.0 60000.0 ! Emdee 1992
c6h6+oh=c6h5+h2o 1.63E+08 1.42 1454.0 ! Baulch 1992
c6h6+oh=c6h5oh+h 6.70E+12 0.0 10592.0 ! He 1988 (xx)
c6h6+o=c6h5o+h 2.40E+13 0.0 4670.0 ! Leidreiter 1989
c6h6+h=c6h5+h2 3.03E+02 3.3 5690.0 ! (yy)
c6h5+h=c6h6 8.00E+13 0.0 0.0 ! Baulch 1992
c6h5+c2h4=c6h5c2h3+h 7.23E+01 3.5 8345.0 ! Yu 1994
c6h5+c2h2=c6h5c2h+h 3.98E+13 0.0 10099.0 ! Stein 1989
c6h5+oh=c6h5o+h 5.00E+13 0.0 0.0 ! Miller 1992
c6h5+o=c-c5h5+co 1.00E+14 0.0 0.0 ! Frank 1994
c6h5+o2=c6h5o+o 2.60E+13 0.0 6120.0 ! Frank 1994
c6h5+o2=oc6h4o+h 3.00E+13 0.0 8981.0 ! Frank 1994
c6h5+c6h5=biphenyl 5.00E+12 0.0 0.0 ! Fahr 1989
c6h5+c6h6=biphenyl+h 4.00E+11 0.0 4000.0 ! Fahr 1989
oc6h4o=c-c5h4o+co 1.00E+15 0.0 78000.0 ! Marinov 1996
c6h5o=co+c-c5h5 7.40E+11 0.0 43850.0 ! Frank 1994
c6h5o+h=c6h5oh 1.00E+14 0.0 0.0 ! Arends 1993
c6h5o+h=c-2*4c6h6o 1.00E+14 0.0 0.0 ! Arends 1993
c6h5oh+oh=c6h5o+h2o 2.95E+06 2.0 -1310.0 ! Knispel 1990
c6h5oh+ch3=c6h5o+ch4 1.81E+11 0.0 7716.0 ! Mulcahy 1965
c6h5oh+h=c6h5o+h2 1.58E+13 0.0 6100.0 ! Arends 1993
c6h5oh+o=c6h5o+oh 2.81E+13 0.0 7352.0 ! Emdee 1992
c6h5oh+c2h3=c2h4+c6h5o 6.00E+12 0.0 0.0 ! Emdee 1992
c6h5oh+c6h5=c6h6+c6h5o 4.91E+12 0.0 4400.0 ! Emdee 1992
c-2*4c6h6o+h=c-c5h7+co 2.51E+13 0.0 4700.0 ! Arends 1993
c6h5ch3=c6h5+ch3 1.40E+16 0.0 99800.0 ! Emdee 1992
c6h5ch3+o2=c6h5ch2+ho2 2.00E+12 0.0 39080.0 ! Ingram 1994
c6h5ch3+oh=c6h5ch2+h2o 1.26E+13 0.0 2583.0 ! Emdee 1992
c6h5ch3+o=c6h5ch2+oh 5.00E+08 1.5 8000.0 ! Emdee 1992
c6h5ch3+h=c6h5ch2+h2 3.98E+02 3.44 3120.0 ! Emdee 1992
c6h5ch3+h=c6h6+ch3 1.20E+13 0.0 5148.0 ! Emdee 1992
c6h5ch3+o=oc6h4ch3+h 1.63E+13 0.0 3418.0 ! Emdee 1992
c6h5ch3+ch3=ch4+c6h5ch2 3.16E+11 0.0 9500.0 ! Emdee 1992
c6h5ch3+c6h5=c6h6+c6h5ch2 2.10E+12 0.0 4400.0 ! Emdee 1992
c6h5ch2+h=c6h5ch3 1.80E+14 0.0 0.0 ! Emdee 1992
c6h5ch2+c6h5oh=c6h5o+c6h5ch3 1.05E+11 0.0 9500.0 ! Emdee 1992
c6h5ch2+hoc6h4ch3=oc6h4ch3+c6h5ch3 1.05E+11 0.0 9500.0 ! Emdee 1992
c6h5ch2+o=c6h5cho+h 2.50E+14 0.0 0.0 ! Emdee 1992
c6h5ch2+o=c6h5+ch2o 8.00E+13 0.0 0.0 ! Emdee 1992
c6h5ch2+ho2=c6h5cho+h+oh 2.50E+14 0.0 0.0 ! Emdee 1992
c6h5ch2+ho2=c6h5+ch2o+oh 8.00E+13 0.0 0.0 ! Emdee 1992
c6h5ch2+ch3=c6h5c2h5 1.19E+13 0.0 221.0 ! Brand 1990
c6h5ch2+h2ccch=c10h10 1.00E+10 0.0 0.0 ! (zz)
c6h5ch2+c2h2=indene+h 3.20E+11 0.0 7000.0 ! (aaa)
c6h5ch2+c6h5cho=c6h5ch3+c6h5co 2.77E+03 2.81 5773.0 ! Emdee 1992
c6h5ch2+oh=c6h5ch2oh 6.00E+13 0.0 0.0 ! Emdee 1992
c6h5ch2oh+oh=c6h5cho+h2o+h 8.43E+12 0.0 2583.0 ! Emdee 1992
c6h5ch2oh+h=c6h5cho+h2+h 8.00E+13 0.0 8235.0 ! Emdee 1992
c6h5ch2oh+h=c6h6+ch2oh 1.20E+13 0.0 5148.0 ! Emdee 1992
c6h5ch2oh+c6h5ch2=c6h5cho+c6h5ch3+h 2.11E+11 0.0 9500. ! Emdee92
c6h5ch2oh+c6h5=c6h5cho+c6h6+h 1.40E+12 0.0 4400.0 ! Emdee 1992
c6h5cho+o2=c6h5co+ho2 1.02E+13 0.0 38950.0 ! Emdee 1992
c6h5cho+oh=c6h5co+h2o 1.71E+09 1.18 -447.0 ! Emdee 1992
c6h5cho+h=c6h5co+h2 5.00E+13 0.0 4928.0 ! Emdee 1992
c6h5cho+h=c6h5+ch2o 2.00E+13 0.0 2000.0 ! (r)
c6h5cho+h=c6h6+hco 1.20E+13 0.0 5148.0 ! Emdee 1992
c6h5cho+o=c6h5co+oh 9.04E+12 0.0 3080.0 ! Emdee 1992
c6h5cho+ch3=ch4+c6h5co 2.77E+03 2.81 5773.0 ! Emdee 1992
c6h5cho+c6h5=c6h6+c6h5co 7.01E+11 0.0 4400.0 ! Emdee 1992
c6h5co=c6h5+co 3.98E+14 0.0 29400.0 ! Emdee 1992
oc6h4ch3+h=hoc6h4ch3 2.50E+14 0.0 0.0 ! Emdee 1992
oc6h4ch3=c6h6+h+co 2.51E+11 0.0 43900.0 ! Emdee 1992
hoc6h4ch3+oh=oc6h4ch3+h2o 6.00E+12 0.0 0.0 ! Emdee 1992
hoc6h4ch3+h=oc6h4ch3+h2 1.15E+14 0.0 12400.0 ! Emdee 1992
hoc6h4ch3+h=c6h5ch3+oh 2.21E+13 0.0 7910.0 ! Emdee 1992
hoc6h4ch3+h=c6h5oh+ch3 1.20E+13 0.0 5148.0 ! Emdee 1992
c6h5c2h5+oh=c6h5c2h3+h2o+h 8.43E+12 0.0 2583. ! Emdee 1992
c6h5c2h5+h=c6h5c2h3+h2+h 8.00E+13 0.0 8235.0 ! Emdee 1992
c6h5c2h3+oh=c6h4c2h3+h2o 1.63E+08 1.42 1454.0 ! Marinov 1996
c6h5c2h3+h=c6h4c2h3+h2 3.03E+02 3.3 5690.0 ! Marinov 1996
c6h5c2h3+oh=c6h5cch2+h2o 1.00E+07 2.0 2000.0 ! Marinov 1996
c6h5c2h3+h=c6h5cch2+h2 2.00E+07 2.0 6000.0 ! Marinov 1996
c6h5chch+h=c6h5cch2+h 1.00E+14 0.0 0.0 ! Marinov 1996
c6h5cch2+oh=c6h5c2h+h2o 2.00E+13 0.0 0.0 ! Marinov 1996
c6h5cch2+h=c6h5c2h+h2 5.00E+13 0.0 0.0 ! Marinov 1996
c6h5c2h+o=c6h5cco+h 4.80E+09 1.0 0.0 ! (bbb)
c6h5cco+o2=c6h5co+co2 1.00E+12 0.0 0.0 ! (ccc)
c6h5c2h+oh=c6h4c2h+h2o 1.63E+08 1.42 1454.0 ! Marinov 1996
c6h5c2h+h=c6h4c2h+h2 3.03E+02 3.3 5690.0 ! Marinov 1996
c6h5c2h+ch3=c6h4c2h+ch4 1.67E+12 0.0 15057.0 ! Marinov 1996
c6h4c2h+c2h2=c10h7 1.068E+04 2.324 -657.3 !Total Wang 94
c6h4c2h3+ch3=indene+h+h 2.00E+13 0.0 0.0 ! (eee)
ch3c6h4ch3+oh=ch3c6h4ch2+h2o 2.95E+13 0.0 2623.0 ! Marinov 1996
ch3c6h4ch3+o=ch3c6h4ch2+oh 5.00E+08 1.5 8000.0 ! Marinov 1996
ch3c6h4ch3+h=ch3c6h4ch2+h2 3.98E+02 3.44 3120.0 ! Marinov 1996
ch3c6h4ch2+c2h2=c10h10+h 3.20E+11 0.0 7000.0 ! Marinov 1996
ch3c6h4ch2+c2h2=ch3indene+h 3.20E+11 0.0 7000.0 ! Marinov 1996
ch3c6h4ch2+h=ch3c6h4ch3 7.46E+13 0.0 78.0 ! Brand 1990
ch3c6h4ch2+ch3=ch3c6h4c2h5 6.00E+12 0.0 221.0 ! Marinov 1996
indene+oh=indenyl+h2o 3.43E+09 1.18 -447.0 ! Marinov 1996
indene+o=indenyl+oh 1.81E+13 0.0 3080.0 ! Marinov 1996
indene+h=indenyl+h2 2.19E+08 1.77 3000.0 ! Marinov 1996
indenyl+h=indene 2.00E+14 0.0 0.0 ! Marinov 1996
indenyl+o=c6h5chch+co 1.00E+14 0.0 0.0 ! Marinov 1996
indenyl+ho2=c6h5chch+co+oh 1.00E+13 0.0 0.0 ! Marinov 1996
indenyl+c-c5h5=phnthrn+h+h 1.00E+13 0.0 8000.0 ! Marinov 1998
ch3c6h4c2h5+oh=ch3c6h4c2h3+h2o+h 8.43E+12 0.0 2583.0 ! Marinov 1996
ch3c6h4c2h5+h=ch3c6h4c2h3+h2+h 8.00E+13 0.0 8235.0 ! Marinov 1996
ch3c6h4c2h3+oh=indene+h+h2o 1.26E+13 0.0 2583.0 ! Marinov 1996
ch3c6h4c2h3+h=indene+h+h2 3.98E+02 3.44 3120.0 ! Marinov 1996
ch3indene+oh=ch3indenyl+h2o 3.43E+09 1.18 -447.0 ! Marinov 1996
ch3indene+o=ch3indenyl+oh 1.81E+13 0.0 3080.0 ! Marinov 1996
ch3indene+h=ch3indenyl+h2 2.19E+08 1.77 3000.0 ! Marinov 1996
ch3indene+h=indene+ch3 1.20E+13 0.0 5200.0 ! Marinov 1996
ch3indenyl+h=ch3indene 2.00E+14 0.0 0.0 ! Marinov 1996
ch3indenyl+c-c5h5=ch3phnthrn+h+h 1.00E+13 0.0 8000.0 ! Marinov 1998
c10h10+oh=c10h9+h2o 5.00E+06 2.0 0.0 ! Marinov 1996
c10h10+o=c10h9+oh 7.00E+11 0.7 6000.0 ! Marinov 1996
c10h10+h=c10h9+h2 2.00E+05 2.5 2500.0 ! Marinov 1996
c10h9+h=c10h10 1.00E+14 0.0 0.0 ! Marinov 1996
c10h8+h=c10h9 5.00E+14 0.0 5000.0 ! Sauer 1970
c10h8+oh=c10h7+h2o 2.44E+08 1.42 1454.0 ! Marinov 1996
c10h8+oh=c10h7oh+h 9.00E+12 0.0 10592.0 ! Marinov 1996
c10h8+o=c10h7o+h 1.40E+13 0.0 1792.0 ! Frerichs 1990
c10h8+h=c10h7+h2 4.55E+02 3.3 5690.0 ! Marinov 1996
c10h7+h=c10h8 1.00E+14 0.0 0.0 ! Marinov 1996
c10h7+o2=c10h7o+o 1.00E+13 0.0 0.0 ! (fff)
c10h7+oh=c10h7o+h 5.00E+13 0.0 0.0 ! Marinov 1996
c10h7+ch3=c10h7ch2+h 2.00E+13 0.0 0.0 ! (eee)
c10h7+c2h2=acenphthln+h 1.00E+20 -2.08 12000.0 ! Wang 1994
c10h7+c2h2=c10h7cch+h 1.17E-7 5.248 -9482.0 ! Total Wang 1994
c10h7+c6h5=flrnthn+h+h 5.00E+12 0.0 0.0 ! (ggg)
c10h7+c6h6=flrnthn+h+h2 4.00E+11 0.0 4000.0 ! (hhh)
c10h7o+h=c10h7oh 1.00E+14 0.0 0.0 ! Marinov 1996
c10h7oh+oh=c10h7o+h2o 2.95E+06 2.0 -1312.0 ! Marinov 1996
c10h7oh+h=c10h7o+h2 1.58E+13 0.0 6100.0 ! Marinov 1996
c10h7o=indenyl+co 7.40E+11 0.0 43850.0 ! Marinov 1996
c10h7ch3+oh=c10h7ch2+h2o 1.27E+13 0.0 2583.0 ! Marinov 1996
c10h7ch3+o=c10h7ch2+oh 5.00E+08 1.5 8000.0 ! Marinov 1996
c10h7ch3+h=c10h7ch2+h2 3.98E+02 3.44 3120.0 ! Marinov 1996
c10h7ch3+h=c10h8+ch3 1.20E+13 0.0 5148.0 ! Marinov 1996
c10h7ch2+h=c10h7ch3 1.00E+14 0.0 0.0 ! Marinov 1996
c10h7ch2+o=c10h7+ch2o 1.00E+14 0.0 0.0 ! Marinov 1996
c10h7ch2+ho2=>c10h7+ch2o+oh 1.00E+13 0.0 0.0 ! Marinov 1996
c10h7ch2+c2h2=bz(a)ndene+h 3.20E+11 0.0 7000.0 ! Marinov 1996
c10h7ch2+ch3=c10h7c2h5 1.19E+13 0.0 221.0 ! Marinov 1996
c10h7c2h5+oh=c10h7c2h3+h2o+h 8.44E+12 0.0 2583.0 ! Marinov 1996
c10h7c2h5+h=c10h7c2h3+h2+h 8.00E+13 0.0 8235.0 ! Marinov 1996
c10h7c2h3+oh=c10h7cch2+h2o 1.00E+07 2.0 2000.0 ! Marinov 1996
c10h7c2h3+h=c10h7cch2+h2 2.00E+07 2.0 6000.0 ! Marinov 1996
c10h7cch2+oh=c10h7cch+h2o 2.00E+13 0.0 0.0 ! Marinov 1996
c10h7cch2+h=c10h7cch+h2 5.00E+13 0.0 0.0 ! Marinov 1996
c10h7cch+oh=c10h6cch+h2o 1.63E+08 1.42 1454.0 ! Marinov 1996
c10h7cch+h=c10h6cch+h2 3.03E+02 3.3 5690.0 ! Marinov 1996
c10h7cch+h=acenphthln+h 8.459E+21 -2.614 7062.6 !Total Wang 1994
c10h6cch+c2h2=phnthryl-1 1.068E+04 2.324 -657.3 ! Total Wang 1994
fluorene+oh=fluoryl+h2o 3.43E+09 1.18 -447.0 ! Marinov 1996
fluorene+o=fluoryl+oh 1.81E+13 0.0 3080.0 ! Marinov 1996
fluorene+h=fluoryl+h2 2.19E+08 1.77 3000.0 ! Marinov 1996
fluoryl+h=fluorene 2.00E+14 0.0 0.0 ! Marinov 1996
bz(a)ndnyl+h=bz(a)ndene 2.00E+14 0.0 0.0 ! Marinov 1996
bz(a)ndene+oh=bz(a)ndnyl+h2o 3.43E+09 1.18 -447.0 ! Marinov 1996
bz(a)ndene+o=bz(a)ndnyl+oh 1.81E+13 0.0 3080.0 ! Marinov 1996
bz(a)ndene+h=bz(a)ndnyl+h2 2.19E+08 1.77 3000.0 ! Marinov 1996
bz(a)ndnyl+c-c5h5=bz(a)phnthrn+h+h 1.00E+13 0.0 8000.0 ! nmm 1996
phnthrn+oh=phnthryl-1+h2o 2.17E+08 1.42 1454.0 ! Marinov 1996
phnthrn+oh=phnthryl-9+h2o 5.43E+07 1.42 1454.0 ! Marinov 1996
phnthrn+oh=phnthrol-1+h 9.00E+12 0.0 10592.0 ! Marinov 1996
phnthrn+oh=phnthrol-9+h 9.00E+12 0.0 10592.0 ! Marinov 1996
phnthrn+h=phnthryl-1+h2 4.04E+02 3.3 5690.0 ! Marinov 1996
phnthrn+h=phnthryl-9+h2 1.01E+02 3.3 5690.0 ! Marinov 1996
anthracn=phnthrn 8.00E+12 0.0 65000.0 ! Colket 1994
phnthryl-1+h=phnthrn 8.00E+13 0.0 0.0 ! Marinov 1996
phnthryl-9+h=phnthrn 8.00E+13 0.0 0.0 ! Marinov 1996
phnthryl-1+o2= phnthroxy-1+o 1.00E+13 0.0 0.0 ! (fff)
phnthryl-9+o2= phnthroxy-9+o 1.00E+13 0.0 0.0 ! (fff)
phnthrol-1+oh=phnthroxy-1+h2o 2.95E+06 2.0 -1310.0 ! Marinov 1996
phnthrol-1+h=phnthroxy-1+h2 1.59E+13 0.0 6100.0 ! Marinov 1996
phnthroxy-1+h=phnthrol-1 1.00E+14 0.0 0.0 ! Marinov 1996
phnthrol-9+oh=phnthroxy-9+h2o 2.95E+06 2.0 -1310.0 ! Marinov 1996
phnthrol-9+h=phnthroxy-9+h2 1.59E+13 0.0 6100.0 ! Marinov 1996
phnthroxy-9+h=phnthrol-9 1.00E+14 0.0 0.0 ! Marinov 1996
phnthroxy-1=bz(a)ndnyl+co 7.40E+11 0.0 43850.0 ! Marinov 1996
phnthroxy-9=fluoryl+co 7.40E+11 0.0 43850.0 ! Marinov 1996
phnthryl-1+c2h2=pyrene+h 3.492E+10 0.557 5658.0 ! Total Wang 1996
phnthryl-1+ch3=hc4-p(def)pthn+h+h 2.00E+13 0.0 0.0 ! (eee)
ch3phnthrn+oh=hc4-p(def)pthn+h2o+h 1.27E+13 0.0 2583.0 ! nmm 1996
ch3phnthrn+h=hc4-p(def)pthn+h2+h 3.98E+02 3.44 3120.0 ! nmm 1996
ch3phnthrn+h=phnthrn+ch3 1.20E+13 0.0 5148.0 !Marinov1996
hc4-p(def)pthn+oh=hc4-p(def)pthyl+h2o 3.43E+09 1.18 -447.0 !nmm96
hc4-p(def)pthn+o=hc4-p(def)pthyl+oh 1.81E+13 0.0 3080.0 !nmm96
hc4-p(def)pthn+h=hc4-p(def)pthyl+h2 2.19E+08 1.77 3000.0 !nmm96
hc4-p(def)pthyl+h=hc4-p(def)pthn 2.00E+14 0.0 0.0 !Marinov 1996
bz(a)phnthrn+h=bz(ghi)fln+h2+h 3.03E+02 3.3 5690.0 !Marinov 1996
bz(a)phnthrn+oh=bz(ghi)fln+h2o+h 1.63E+08 1.42 1454.0 !Marinov 1996
h2ccch+ch2=ch2chcch+h 4.00E+13 0.0 0.0 !Miller 1992
c-c5h5+ch3=ch3cy24pd 1.76E+50 -11.0 18600. !Ritter 1990
ch3cy24pd+h=c-c5h6+ch3 1.00E+13 0.0 1300.0 !Ritter 1990
c6h6+h=ch3cy24pd1 2.39E+27 -3.92 29200. !Ritter 1990
cyc6h7=ch3cy24pd1 5.00E+12 0.0 38100. !Ritter 1990
ch3cy24pd1+h=ch3cy24pd 1.00E+14 0.0 0.0 !Marinov 1998
ch3cy24pd1+h=c-c5h5+ch3 1.00E+14 0.0 0.0 !Marinov 1998
cyc6h7=ch3dcy24pd 5.50E+10 0.0 23500. !Ritter 1990
c6h6+h=cyc6h7 4.87E+56 -12.73 26800. !Ritter 1990
ch3dcy24pd+h2=ch3cy24pd+h 4.00E+12 0.0 15000. !Ritter 1990
fulvene=c6h6 9.84E+37 -7.4 76979. !Shandross1996
fulvene+h=c6h6+h 3.00E+12 0.5 2000.0 !Marinov 1998
fulvene+h=fulvenyl+h2 3.03E+2 3.3 5690. !Marinov 1998
fulvene+oh=fulvenyl+h2o 1.63E+8 1.42 1454. !Marinov 1998
fulvenyl+h=c6h5+h 1.00E+14 0.0 0.0 !Marinov 1998
fulvenyl+o2=c-c5h4o+hco 1.00E+12 0.0 0.0 !Marinov 1998
end
nbutane_transport.txt (26,462 bytes)
ar 0 136.500 3.330 0.000 0.000 0.000 as 0 1045.500 4.580 0.000 0.000 0.000 ! mec ash 1 199.300 4.215 0.000 0.000 1.000 ! mec ash2 2 229.600 4.180 0.000 0.000 1.000 ! mec c 0 71.400 3.298 0.000 0.000 0.000 ! * c2 1 97.530 3.621 0.000 1.760 4.000 c2o 1 232.400 3.828 0.000 0.000 1.000 ! * cn2 1 232.400 3.828 0.000 0.000 1.000 ! ois c2h 1 265.300 3.721 0.000 0.000 2.500 ! nmm c2h2 1 265.300 3.721 0.000 0.000 2.500 ! nmm c2h2oh 2 224.700 4.162 0.000 0.000 1.000 ! * c2h3 2 265.300 3.721 0.000 0.000 1.000 ! nmm c2h4 2 238.400 3.496 0.000 0.000 1.500 ! nmm c2h5 2 247.500 4.350 0.000 0.000 1.500 ! nmm c2h5oh 2 362.600 4.530 0.000 0.000 1.500 ! nmm c2h5o 2 362.600 4.530 0.000 0.000 1.500 ! nmm c2h6 2 247.500 4.350 0.000 0.000 1.500 ! nmm c2n 1 232.400 3.828 0.000 0.000 1.000 ! ois c2n2 1 349.000 4.361 0.000 0.000 1.000 ! ois c3 1 232.400 3.828 0.000 0.000 1.000 ! c3h 1 232.400 3.828 0.000 0.000 1.000 ! c3h2 2 209.000 4.100 0.000 0.000 1.000 ! * c3h2(s) 2 209.000 4.100 0.000 0.000 1.000 ! * ch2chcho 2 443.200 4.120 0.000 0.000 1.000 ! nmm chchcho 2 443.200 4.120 0.000 0.000 1.000 ! nmm hcccho 2 443.200 4.120 0.000 0.000 1.000 ! nmm hccco 2 443.200 4.120 0.000 0.000 1.000 ! nmm h2cchco 2 443.200 4.120 0.000 0.000 1.000 ! nmm ch3chco 2 443.200 4.120 0.000 0.000 1.000 ! nmm ch2chco 2 443.200 4.120 0.000 0.000 1.000 ! nmm c2h3co 2 443.200 4.120 0.000 0.000 1.000 ! nmm c2h5cho 2 424.600 4.820 0.000 0.000 1.000 ! nmm ch2ch2cho 2 424.600 4.820 0.000 0.000 1.000 ! nmm c2h5co 2 424.600 4.820 0.000 0.000 1.000 ! nmm ch3coch3 2 435.500 4.860 0.000 0.000 1.000 ! nmm ch3coch2 2 435.500 4.860 0.000 0.000 1.000 ! nmm ac3h4 1 324.800 4.290 0.000 0.000 1.000 ! nmm pc3h4 1 324.800 4.290 0.000 0.000 1.000 ! nmm c3h4c 2 324.800 4.290 0.000 0.000 1.000 ! nmm c3h6 2 307.800 4.140 0.000 0.000 1.000 ! nmm c3h6oh 2 487.900 4.820 0.000 0.000 1.000 ! nmm hoc3h6o2 2 487.900 4.820 0.000 0.000 1.000 ! nmm cyc4h6 2 357.000 4.720 0.000 0.000 1.000 cyc3h3ch3 2 357.000 4.720 0.000 0.000 1.000 ic3h7 2 303.400 4.810 0.000 0.000 1.000 ! nmm nc3h7 2 303.400 4.810 0.000 0.000 1.000 ! nmm ic3h7o 2 468.300 4.760 0.000 0.000 1.000 ! nmm nc3h7o 2 487.900 4.820 0.000 0.000 1.000 ! nmm c3h8 2 303.400 4.810 0.000 0.000 1.000 ! nmm c4h 1 357.000 4.720 0.000 0.000 1.000 ! nmm c4h2 1 357.000 4.720 0.000 0.000 1.000 ! nmm c4h2oh 2 224.700 4.162 0.000 0.000 1.000 ! * ch3chcch 2 355.000 4.650 0.000 0.000 1.000 ! nmm ic4h7 2 355.000 4.650 0.000 0.000 1.000 ! nmm c4h7 2 355.000 4.650 0.000 0.000 1.000 ! nmm c4h8 2 355.000 4.650 0.000 0.000 1.000 ! nmm c4h8-1 2 355.000 4.650 0.000 0.000 1.000 ! nmm c4h8-2 2 355.000 4.650 0.000 0.000 1.000 ! nmm ic4h8 2 355.000 4.650 0.000 0.000 1.000 ! nmm pc4h9 2 352.000 5.240 0.000 0.000 1.000 ! nmm sc4h9 2 352.000 5.240 0.000 0.000 1.000 ! nmm tc4h9 2 352.000 5.240 0.000 0.000 1.000 ! nmm ic4h9 2 352.000 5.240 0.000 0.000 1.000 ! nmm ch2chch2cho 2 496.000 5.200 0.0000 0.000 1.000 ! nmm pc4h9o 2 496.000 5.200 0.000 0.000 1.000 ! nmm tc4h9o 2 496.000 5.200 0.000 0.000 1.000 ! nmm c4h8oh-1 2 496.000 5.200 0.000 0.000 1.000 ! nmm sc4h9o 2 496.000 5.200 0.000 0.000 1.000 ! nmm ic4h9o 2 496.000 5.200 0.000 0.000 1.000 ! nmm c4h8oh-2 2 496.000 5.200 0.000 0.000 1.000 ! nmm ic4h8oh 2 496.000 5.200 0.000 0.000 1.000 ! nmm ic4h7oh 2 496.000 5.200 0.000 0.000 1.000 ! nmm o2c4h8oh-1 2 496.000 5.200 0.000 0.000 1.000 ! * o2c4h8oh-2 2 496.000 5.200 0.000 0.000 1.000 ! * io2c4h8oh 2 496.000 5.200 0.000 0.000 1.000 ! * c4h7o 2 496.000 5.200 0.000 0.000 1.000 ! nmm ic4h7o 2 496.000 5.200 0.000 0.000 1.000 ! nmm c4h10 2 352.000 5.240 0.000 0.000 1.000 ! nmm ic4h10 2 352.000 5.240 0.000 0.000 1.000 ! nmm c5h2 1 408.000 5.200 0.000 0.000 1.000 ! nmm c5h3 1 408.000 5.200 0.000 0.000 1.000 ! nmm h2ccchcch 2 408.000 5.200 0.000 0.000 1.000 hccch2cch 2 408.00 5.200 0.000 0.000 1.000 hccchcch 2 408.00 5.200 0.000 0.000 1.000 c-c5h5 2 408.000 5.200 0.000 0.000 1.000 ! nmm dhfuran 2 408.000 5.200 0.000 0.000 1.000 furan 2 408.000 5.200 0.000 0.000 1.000 c-c5h6 2 408.000 5.200 0.000 0.000 1.000 ! nmm l-c5h5 2 408.000 5.200 0.000 0.000 1.000 l-c5h6 2 408.000 5.200 0.000 0.000 1.000 l-c5h7 2 408.000 5.200 0.000 0.000 1.000 ! nmm c-c5h7 2 408.000 5.200 0.000 0.000 1.000 ! l-c5h8 2 408.000 5.200 0.000 0.000 1.000 ! nmm c6h2 1 408.000 5.200 0.000 0.000 1.000 ! nmm c6h4 2 412.300 5.349 0.000 0.000 1.000 ! jam c6h5 2 412.300 5.349 0.000 0.000 1.000 ! jam fulvenyl 2 412.300 5.349 0.000 0.000 1.000 c6h5(l) 2 412.300 5.349 0.000 0.000 1.000 ! jam c6h5oh 2 450.000 5.500 0.000 0.000 1.000 ! nmm c6h5o 2 450.000 5.500 0.000 0.000 1.000 ! jam c-2*4c6h6o 2 450.000 5.500 0.000 0.000 1.000 ! oc6h4o 2 450.000 5.500 0.000 0.000 1.000 c6h4o 2 450.000 5.500 0.000 0.000 1.000 c-c5h4o 2 450.000 5.500 0.000 0.000 1.000 ! nmm c-c5h4oh 2 450.000 5.500 0.000 0.000 1.000 ! nmm c-c5h5o 2 450.000 5.500 0.000 0.000 1.000 ! nmm ch3cy24pd1 2 450.000 5.500 0.000 0.000 1.000 ! ch3cy24pd 2 450.000 5.500 0.000 0.000 1.000 ch3dcy24pd 2 450.000 5.500 0.000 0.000 1.000 c5h5oh 2 450.000 5.500 0.000 0.000 1.000 ! nmm c6h5c2h 2 468.500 5.230 0.000 0.000 1.000 ! nmm l-c6h8 2 426.300 5.510 0.000 0.000 1.000 c6h6 2 468.500 5.230 0.000 10.30 1.000 ! nmm cyc6h7 2 468.500 5.230 0.000 0.000 1.000 ! nmm cyc6h8 2 468.500 5.230 0.000 0.000 1.000 ! nmm fulvene 2 468.500 5.230 0.000 0.000 1.000 c6h5ch2 2 495.300 5.680 0.000 0.000 1.000 ! nmm c6h5ch3 2 495.300 5.680 0.430 12.30 1.000 ! nmm c6h5co 2 622.400 5.530 0.000 0.000 1.000 ! nmm c6h5cho 2 622.400 5.530 0.000 0.000 1.000 ! nmm c6h5ch2oh 2 622.400 5.530 0.000 0.000 1.000 ! nmm oc6h4ch3 2 621.100 5.640 0.000 0.000 1.000 ! nmm hoc6h4ch3 2 621.100 5.640 0.000 0.000 1.000 ! nmm c6h5c2h5 2 523.600 5.960 0.000 0.000 1.000 ! nmm ch3c6h4ch3 2 523.600 5.960 0.000 0.000 1.000 ! ch3c6h4ch2 2 523.600 5.960 0.000 0.000 1.000 ch3c6h4c2h5 2 523.600 5.960 0.000 0.000 1.000 ch3c6h4c2h3 2 523.600 5.960 0.000 0.000 1.000 oc6h4c2h 2 523.600 5.960 0.000 0.000 1.000 hoc6h4c2h 2 523.600 5.960 0.000 0.000 1.000 c6h9 2 426.300 5.510 0.000 0.000 1.000 ! nmm c6h10 2 426.300 5.510 0.000 0.000 1.000 ! nmm c8h14 2 494.000 6.170 0.000 0.000 1.000 ! nmm ic8h14 2 494.000 6.170 0.000 0.000 1.000 ! nmm c6h5chch3 2 523.600 5.960 0.000 0.000 1.000 c6h5c2h3 2 546.200 6.000 0.130 15.00 1.000 ! nmm c6h5chch 2 546.200 6.000 0.000 0.000 1.000 ! nmm c6h5cch2 2 546.200 6.000 0.000 0.000 1.000 c6h5c2h 2 534.300 5.710 0.770 0.000 1.000 ! nmm c6h5c2 2 534.300 5.710 0.000 0.000 1.000 ! nmm c6h4c2h3 2 546.200 6.000 0.000 0.000 1.000 ! nmm c6h4c2h 2 534.300 5.710 0.000 0.000 1.000 ! nmm c10h7c2h5 2 695.000 6.530 0.000 0.000 1.000 c10h7c2h3 2 689.800 6.500 0.000 0.000 1.000 c10h7cch2 2 689.800 6.500 0.000 0.000 1.000 c10h7cch 2 689.800 6.500 0.000 0.000 1.000 c10h6cch 2 689.800 6.500 0.000 0.000 1.000 c10h6c2h3 2 687.200 6.490 0.000 0.000 1.000 c6h5cco 2 588.200 5.940 0.000 0.000 1.000 c2hc6h4c2h 2 630.400 6.180 0.000 0.000 1.000 c10h7 2 630.400 6.180 0.000 0.000 1.000 ! nmm c10h7o 2 630.400 6.180 0.000 0.000 1.000 ! nmm c10h8 2 630.400 6.180 0.000 16.50 1.000 ! nmm c10h9 2 630.400 6.180 0.000 0.000 1.000 ! nmm c10h10 2 630.400 6.180 0.000 0.000 1.000 ! nmm bnzofulv 2 630.40 6.18 0.000 0.000 1.000 c10h7ch2 2 660.00 6.350 0.000 0.000 1.000 ! nmm c10h7oh 2 663.45 6.362 0.000 0.000 1.000 c10h7ch3 2 660.0 6.350 0.000 0.000 1.000 ! nmm flrnthn 2 812.3 7.170 0.000 0.000 1.000 ! nmm anthracn 2 772.0 6.960 0.000 25.40 1.000 ch3indene 2 625.0 6.150 0.000 0.000 1.000 ch3indenyl 2 625.0 6.150 0.000 0.000 1.000 indench3 2 625.0 6.150 0.000 0.000 1.000 indench2 2 625.0 6.150 0.000 0.000 1.000 ch3phnthrn 2 783.9 6.995 0.000 0.000 1.000 phnthrol-1 2 783.9 6.995 0.000 0.000 1.000 phnthrol-9 2 783.9 6.995 0.000 0.000 1.000 phnthroxy-1 2 783.9 6.995 0.000 0.000 1.000 phnthroxy-9 2 783.9 6.995 0.000 0.000 1.000 phnthrn 2 772.0 6.960 0.000 38.80 1.000 bz(a)ndene 2 772.0 6.960 0.000 0.000 1.000 bz(a)ndnyl 2 772.0 6.960 0.000 0.000 1.000 phnthryl-1 2 772.0 6.960 0.000 38.80 1.000 ! nmm phnthryl-9 2 772.0 6.960 0.000 38.80 1.000 pyrene 2 834.9 7.240 0.000 0.000 1.000 ! nmm chrysene 2 834.9 7.240 0.000 0.000 1.000 cyp(cd)pyrene 2 862.0 7.382 0.000 0.000 1.000 hc4-p(def)pthn 2 834.9 7.240 0.000 0.000 1.000 hc4-p(def)pthyl 2 834.9 7.240 0.000 0.000 1.000 pyrenyl 2 834.9 7.240 0.000 0.000 1.000 ! nmm dhpyrene 2 834.9 7.240 0.000 0.000 1.000 benzoap 2 832.5 7.550 1.400 0.000 1.000 ! nmm bz(a)phnthrn 2 832.5 7.550 0.000 0.000 1.000 bz(ghi)fln 2 832.5 7.550 0.000 0.000 1.000 biphenyl 2 676.5 6.310 0.000 0.000 1.000 cpentacd 2 832.5 7.550 0.000 0.000 1.000 acenphthln 2 695.4 6.760 0.000 0.000 1.000 ! nmm acenphthyl 2 695.4 6.760 0.000 0.000 1.000 indene 2 588.6 5.960 0.650 0.000 1.000 ! nmm indenyl 2 588.6 5.960 0.000 0.000 1.000 ! nmm ch3ndene 2 588.6 5.960 0.000 0.000 1.000 ! nmm ch3ndnyl 2 588.6 5.960 0.000 0.000 1.000 ! nmm ch3flrne 2 712.6 6.890 0.000 0.000 1.000 ch3flrnl 2 712.6 6.890 0.000 0.000 1.000 fluorene 2 712.6 6.890 0.000 0.000 1.000 fluoryl 2 712.6 6.890 0.000 0.000 1.000 bibenzyl 2 783.800 6.640 0.000 0.000 1.000 ! nmm stilbene 2 772.0 6.960 0.000 0.000 1.000 ! nmm anthracn 2 772.0 6.960 0.000 0.000 1.000 ! nmm dhanthrn 2 772.0 6.960 0.000 0.000 1.000 ch 1 80.000 2.750 0.000 0.000 0.000 ch2 1 144.000 3.800 0.000 0.000 0.000 sch2 1 144.000 3.800 0.000 0.000 0.000 ch2(s) 1 144.000 3.800 0.000 0.000 0.000 ch2chcch 2 373.700 4.790 0.000 0.000 1.000 ! nmm ch2chcch2 2 373.700 4.790 0.000 0.000 1.000 ! nmm ch3ccch2 2 357.100 4.720 0.000 0.000 1.000 ch3chcch2 2 357.100 4.720 0.000 0.000 1.000 ch2ch2cch 2 373.700 4.790 0.000 0.000 1.000 ! nmm ch2chch2 2 316.000 4.220 0.000 0.000 1.000 ! nmm ac3h5 2 316.000 4.220 0.000 0.000 1.000 ch2chchch 2 357.100 4.720 0.000 0.000 1.000 ! nmm chchchch 2 357.100 4.720 0.000 0.000 1.000 ! nmm ch2chchch2 2 357.100 4.720 0.000 0.000 1.000 ! nmm ch2co 2 436.000 3.970 0.000 0.000 2.000 ch2o 2 498.000 3.590 0.000 0.000 2.000 hcoh 2 498.000 3.590 0.000 0.000 1.000 ch2oh 2 417.000 3.690 1.700 0.000 2.000 ch2hco 2 436.000 3.970 0.000 0.000 2.000 chocho 2 440.200 4.010 0.000 0.000 2.000 ! nmm choco 2 440.200 4.010 0.000 0.000 2.000 ! nmm ch3 1 144.000 3.800 0.000 0.000 0.000 ch3cc 2 252.000 4.760 0.000 0.000 1.000 ! jam ch3chcch 2 373.700 4.790 0.000 0.000 1.000 ! nmm ch3ccch2 2 357.100 4.720 0.000 0.000 1.000 ! nmm ch3ccch3 2 357.100 4.720 0.000 0.000 1.000 ! nmm ch3cch2 2 316.000 4.220 0.000 0.000 1.000 ! nmm sc3h5 2 316.000 4.220 0.000 0.000 1.000 ch3chch 2 316.000 4.220 0.000 0.000 1.000 ! nmm pc3h5 2 316.000 4.220 0.000 0.000 1.000 ch3ch2cch 2 357.100 4.720 0.000 0.000 1.000 ! nmm ch3hco 2 436.000 3.970 0.000 0.000 2.000 ch3co 2 436.000 3.970 0.000 0.000 2.000 ch3o 2 417.000 3.690 1.700 0.000 2.000 ch3oh 2 481.800 3.626 0.000 0.000 1.000 ! sve ch4 2 141.400 3.746 0.000 2.600 13.000 ch4o 2 417.000 3.690 1.700 0.000 2.000 cn 1 75.000 3.856 0.000 0.000 1.000 ! ois cnc 1 232.400 3.828 0.000 0.000 1.000 ! ois cnn 1 232.400 3.828 0.000 0.000 1.000 ! ois co 1 98.100 3.650 0.000 1.950 1.800 co2 1 244.000 3.763 0.000 2.650 2.100 f 0 80.000 2.750 0.000 0.000 0.000 f2 1 125.700 3.301 0.000 1.600 3.800 h 0 145.000 2.050 0.000 0.000 0.000 gah 1 335.500 4.240 0.000 0.000 1.000 ! mec h2c4o 2 357.000 5.180 0.000 0.000 1.000 ! jam h2 1 38.000 2.920 0.000 0.790 280.000 h2ccc 2 265.300 3.721 0.000 0.000 1.000 ! * h2ccc(s) 2 265.300 3.721 0.000 0.000 1.000 ! * h2ccch 2 252.000 4.760 0.000 0.000 1.000 ! jam h2cccch 2 357.100 4.720 0.000 0.000 1.000 ! nmm h2cccch2 2 357.100 4.720 0.000 0.000 1.000 ! nmm h2ccccch 1 408.000 5.200 0.000 0.000 1.000 ! nmm h2cn 1 569.000 3.630 0.000 0.000 1.000 ! os/jm h2no 2 116.700 3.492 0.000 0.000 1.000 ! jam h2o 2 572.400 2.605 1.844 0.000 4.000 h2o2 2 107.400 3.458 0.000 0.000 3.800 h2s 2 301.000 3.600 0.000 0.000 1.000 ! ois hc2n2 1 349.000 4.361 0.000 0.000 1.000 ! ois hcchcch 2 357.100 4.720 0.000 0.000 1.000 ! nmm hcco 2 150.000 2.500 0.000 0.000 1.000 ! * hccoh 2 436.000 3.970 0.000 0.000 2.000 hccchcch 2 408.000 5.200 0.000 0.000 1.000 ! nmm hcn 1 569.000 3.630 0.000 0.000 1.000 ! ois hco 2 498.000 3.590 0.000 0.000 0.000 hco+ 1 498.000 3.590 0.000 0.000 0.000 he 0 10.200 2.576 0.000 0.000 0.000 ! * hf 1 330.000 3.148 1.920 2.460 1.000 ! sv/mec hf0 1 352.000 2.490 1.730 0.000 5.000 hf1 1 352.000 2.490 1.730 0.000 5.000 hf2 1 352.000 2.490 1.730 0.000 5.000 hf3 1 352.000 2.490 1.730 0.000 5.000 hf4 1 352.000 2.490 1.730 0.000 5.000 hf5 1 352.000 2.490 1.730 0.000 5.000 hf6 1 352.000 2.490 1.730 0.000 5.000 hf7 1 352.000 2.490 1.730 0.000 5.000 hf8 1 352.000 2.490 1.730 0.000 5.000 hcno 2 232.400 3.828 0.000 0.000 1.000 ! jam hocn 2 232.400 3.828 0.000 0.000 1.000 ! jam hnco 2 232.400 3.828 0.000 0.000 1.000 ! ois hnno 2 232.400 3.828 0.000 0.000 1.000 ! * hno 2 116.700 3.492 0.000 0.000 1.000 ! * hnoh 2 116.700 3.492 0.000 0.000 1.000 ! jam ho2 2 107.400 3.458 0.000 0.000 1.000 ! * hso2 2 252.000 4.290 0.000 0.000 1.000 ! ois n 0 71.400 3.298 0.000 0.000 0.000 ! * n2 1 97.530 3.621 0.000 1.760 4.000 n2h2 2 71.400 3.798 0.000 0.000 1.000 ! * n2h3 2 200.000 3.900 0.000 0.000 1.000 ! * n2h4 2 205.000 4.230 0.000 4.260 1.500 n2o 1 232.400 3.828 0.000 0.000 1.000 ! * ncn 1 232.400 3.828 0.000 0.000 1.000 ! ois nco 1 232.400 3.828 0.000 0.000 1.000 ! ois nh 1 80.000 2.650 0.000 0.000 4.000 nh2 2 80.000 2.650 0.000 2.260 4.000 nh3 2 481.000 2.920 1.470 0.000 10.000 nnh 2 71.400 3.798 0.000 0.000 1.000 ! * no 1 97.530 3.621 0.000 1.760 4.000 ncno 2 232.400 3.828 0.000 0.000 1.000 ! ois no2 2 200.000 3.500 0.000 0.000 1.000 ! * o 0 80.000 2.750 0.000 0.000 0.000 o2 1 107.400 3.458 0.000 1.600 3.800 o3 2 180.000 4.100 0.000 0.000 2.000 oh 1 80.000 2.750 0.000 0.000 0.000 s 0 847.000 3.839 0.000 0.000 0.000 ! ois s2 1 847.000 3.900 0.000 0.000 1.000 ! ois sh 1 847.000 3.900 0.000 0.000 1.000 ! ois so 1 301.000 3.993 0.000 0.000 1.000 ! ois so2 2 252.000 4.290 0.000 0.000 1.000 ! ois so3 2 378.400 4.175 0.000 0.000 1.000 ! ois sih4 2 207.6 4.084 0.000 0.000 1.000 ! mec sih3 2 170.3 3.943 0.000 0.000 1.000 ! mec sih2 2 133.1 3.803 0.000 0.000 1.000 ! mec sih 1 95.8 3.662 0.000 0.000 1.000 ! mec si 0 3036. 2.910 0.000 0.000 0.000 ! mec si2h6 2 301.3 4.828 0.000 0.000 1.000 ! mec si2h5 2 306.9 4.717 0.000 0.000 1.000 ! mec si2h4 2 312.6 4.601 0.000 0.000 1.000 ! mec si2h3 2 318.2 4.494 0.000 0.000 1.000 ! mec si2h2 2 323.8 4.383 0.000 0.000 1.000 ! mec si2 1 3036. 3.280 0.000 0.000 1.000 ! mec si3 2 3036. 3.550 0.000 0.000 1.000 ! mec sif3 2 309.6 4.359 0.000 0.000 1.000 ! mec sif3nh2 2 231.0 4.975 0.000 0.000 1.000 ! mec sif4 2 171.9 4.880 0.000 0.000 1.000 ! sve sihf3 2 180.8 4.681 0.000 0.000 1.000 ! mec h2sisih2 2 312.6 4.601 0.000 0.000 1.000 ! mec h3sisih 2 312.6 4.601 0.000 0.000 1.000 ! mec si3h8 2 331.2 5.562 0.000 0.000 1.000 ! mec ash3 2 259.8 4.145 0.000 0.000 1.000 ! mec as2 1 1045.5 5.510 0.000 0.000 1.000 ! mec game3 2 378.2 5.52 0.000 0.000 1.000 ! mec game2 2 675.8 5.22 0.000 0.000 1.000 ! mec game 2 972.7 4.92 0.000 0.000 1.000 ! mec ga 0 2961.8 4.62 0.000 0.000 0.000 ! mec k 0 850. 4.25 0.000 0.000 1.000 ! singh koh 2 1213. 4.52 0.000 0.000 1.000 ! singh ko2 2 1213. 4.69 0.000 0.000 1.000 ! singh kh 1 93.3 3.542 0.000 0.000 1.000 ! singh k+ 0 850. 4.25 0.000 0.000 1.000 ! singh e 0 850. 425. 0.000 0.000 1.000 ! singh kcl 1 1989. 4.186 0.000 0.000 1.000 ! singh cl 0 130.8 3.613 0.000 0.000 1.000 ! singh cl- 0 130.8 3.613 0.000 0.000 1.000 ! singh hcl 1 344.7 3.339 1.084 0.000 1.000 ! singh ko 1 383.0 3.812 0.000 0.000 1.000 ! singh |
|
|
Thermo/mech files converted to uppercase with following script... #!/bin/bash # get filename echo -n "Enter File Name : " read fileName # make sure file exits for reading if [ ! -f $fileName ]; then echo "Filename $fileName does not exists." exit 1 fi # convert uppercase to lowercase using tr command tr '[a-z]' '[A-Z]' < $fileName > output.txt nbutane_mech_uppercase.txt (50,457 bytes)
! REFERENCE:
! MARINOV, N. M., PITZ, W. J., WESTBROOK, C. K., VINCITORE, A. M.,
! CASTALDI, M. J., SENKAN, S. M. "AROMATIC AND POLYCYCLIC AROMATIC
! HYDROCARBON FORMATION IN A LAMINAR PREMIXED N-BUTANE FLAME"
! COMBUSTION AND FLAME 114 192-213 (1998).
! UCRL-WEB-204236
! REVIEW AND RELEASE DATE: MAY 19, 2004.
!
! DATE: TUE, 19 JAN 1999 11:38:35 -0800 (PST)
! FROM: "NICK M. MARINOV" <MARINOV1@LLNL.GOV>
ELEM
H O C AR N
END
SPECIES
H2 H
CH4 CH3 CH2 CH CH2O HCO CO2 CO O2 O OH HO2 H2O2 H2O
C2H HCCO C2H2 C2H3 C2H4 C2H5 C2H6 CH2OH CH3O HCCOH H2CCCH
C3H2 CH2(S) CH2CO C4H2 C5H2 C5H3 C6H2 C2 C2O C HCOH
CH2CHCCH HCCHCCH H2CCCCH C6H5 C6H6 C6H5O
CH2CHCHCH CH2CHCCH2
H2C4O CH2CHCHCH2 CH3OH CH2HCO
C-C5H5 C-C5H5O C-C5H6 C6H5OH C10H8 C-C5H4OH C-C5H4O
C4H10 PC4H9 SC4H9 C4H8-1 C4H8-2 C4H7
C3H6 AC3H5 PC3H5
SC3H5 CH2CHCHO PC3H4 AC3H4 CH3CO C6H5CH2 C6H5CH3
CH2CHCO CH3CHCO CH3HCO CHOCHO
C3H8 IC3H7 NC3H7 CH3CHCCH2 CH3CCCH2
C6H5C2H5 C10H10 C10H9 C10H7
C6H4C2H3 C6H4C2H C6H5C2H3 C6H5C2H C10H7O
C6H5CHO C6H5CO HOC6H4CH3 C6H5CH2OH OC6H4O
OC6H4CH3 C10H7CH2 C10H7CH3
CH3C6H4CH3 INDENE INDENYL ACENPHTHLN PHNTHRN
CH3CHCCH CH3CH2CCH CH3C6H4CH2
PHNTHRYL-1 PHNTHRYL-9 FLRNTHN
CH3C6H4C2H3 CH3C6H4C2H5
C-2*4C6H6O C-C5H7 L-C5H8 L-C5H7
C10H7C2H5 C10H7C2H3 C10H7OH C6H5CCO
C6H5CHCH C6H5CCH2 C10H7CCH2 C10H7CCH C10H6CCH
ANTHRACN CH3INDENE CH3INDENYL CH3PHNTHRN PYRENE
FLUORYL FLUORENE H2CCCCH2 CHCHCHO HCCCHO HCCCO
HC4-P(DEF)PTHN HC4-P(DEF)PTHYL PHNTHROXY-1 PHNTHROXY-9
BZ(A)NDENE BZ(A)NDNYL PHNTHROL-1 PHNTHROL-9 BIPHENYL BZ(A)PHNTHRN
BZ(GHI)FLN FULVENE CH3CY24PD CH3CY24PD1 CH3DCY24PD CYC6H7
FULVENYL AR N2
END
THERMO
END
REACTIONS
OH+H2=H+H2O 2.14E+08 1.52 3449.0 !MARINOV 1995A
O+OH=O2+H 2.02E+14 -0.4 0.0 !MARINOV 1995A
O+H2=OH+H 5.06E+04 2.67 6290.0 !MARINOV 1995A
H+O2(+M)=HO2(+M) 4.52E+13 0.0 0.0 !MARINOV 1995A
LOW / 1.05E+19 -1.257 0.0 / !MARINOV 1995A
! H2O/0.0/ H2/0.0/ CH4/10.0/ CO2/3.8/ CO/1.9/
H2O/0.0/ H2/0.0/ N2/0.0/ CH4/10.0/ CO2/3.8/ CO/1.9/
H+O2(+N2)=HO2(+N2) 4.52E+13 0.0 0.0 !MARINOV 1995A
LOW / 2.03E+20 -1.59 0.0 / !MARINOV 1995A
H+O2(+H2)=HO2(+H2) 4.52E+13 0.0 0.0 !MARINOV 1995A
LOW / 1.52E+19 -1.133 0.0 / !MARINOV 1995A
H+O2(+H2O)=HO2(+H2O) 4.52E+13 0.0 0.0 !MARINOV 1995A
LOW / 2.10E+23 -2.437 0.0 / !MARINOV 1995A
OH+HO2=H2O+O2 2.13E+28 -4.827 3500.0 !HIPPLER 1995
DUP
OH+HO2=H2O+O2 9.10E+14 0.0 10964.0 !HIPPLER 1995
DUP
H+HO2=OH+OH 1.50E+14 0.0 1000.0 !MARINOV 1995A
H+HO2=H2+O2 8.45E+11 0.65 1241.0 !MARINOV 1995A
H+HO2=O+H2O 3.01E+13 0.0 1721.0 !MARINOV 1995A
O+HO2=O2+OH 3.25E+13 0.0 0.0 !MARINOV 1995A
OH+OH=O+H2O 3.57E+04 2.4 -2112.0 !MARINOV 1995A
H+H+M=H2+M 1.00E+18 -1.0 0.0 !MARINOV 1995A
H2O/0.0/ H2/0.0/
H+H+H2=H2+H2 9.20E+16 -0.6 0.0 !MARINOV 1995A
H+H+H2O=H2+H2O 6.00E+19 -1.25 0.0 !MARINOV 1995A
H+OH+M=H2O+M 2.21E+22 -2.0 0.0 !MARINOV 1995A
H2O/6.4/
H+O+M=OH+M 4.71E+18 -1.0 0.0 !MARINOV 1995A
H2O/6.4/
O+O+M=O2+M 1.89E+13 0.0 -1788.0 !MARINOV 1995A
HO2+HO2=H2O2+O2 4.20E+14 0.0 11982.0 !MARINOV 1995A
DUP
HO2+HO2=H2O2+O2 1.30E+11 0.0 -1629.0 !MARINOV 1995A
DUP
OH+OH(+M)=H2O2(+M) 1.24E+14 -0.37 0.0 !MARINOV 1995A
LOW / 3.04E+30 -4.63 2049.0 / !MARINOV 1995A
TROE / 0.470 100.0 2000.0 1.0E+15/
H2O2+H=HO2+H2 1.98E+06 2.0 2435.0 !MARINOV 1995A
H2O2+H=OH+H2O 3.07E+13 0.0 4217.0 !MARINOV 1995A
H2O2+O=OH+HO2 9.55E+06 2.0 3970.0 !MARINOV 1995A
H2O2+OH=H2O+HO2 2.40E+00 4.042 -2162.0 !MARINOV 1995A
CH3+CH3(+M)=C2H6(+M) 9.22E+16 -1.174 636.0 !WALTER 1990
LOW / 1.14E+36 -5.246 1705.0/ !WALTER 1990
TROE/ 0.405 1120.0 69.6 1.0E+15/
H2O/5.0/ H2/2.0/ CO2/3.0/ CO/2.0/
CH3+H(+M)=CH4(+M) 2.14E+15 -0.4 0.0 !TSANG 1986
LOW/ 3.31E+30 -4.0 2108.0 / ! (A)
TROE / 0.0 1.0E-15 1.0E-15 40.0/
H2O/5.0/ H2/2.0/ CO2/3.0/ CO/2.0/
CH4+H=CH3+H2 2.20E+04 3.0 8750.0 !MILLER 1992
CH4+OH=CH3+H2O 4.19E+06 2.0 2547.0 !MARINOV 1995
CH4+O=CH3+OH 6.92E+08 1.56 8485.0 !MARINOV 1995
CH4+HO2=CH3+H2O2 1.12E+13 0.0 24640.0 !MARINOV 1995
CH3+HO2=CH3O+OH 7.00E+12 0.0 0.0 !TROE 1993
CH3+HO2=CH4+O2 3.00E+12 0.0 0.0 !MARINOV 1995
CH3+O=CH2O+H 8.00E+13 0.0 0.0 !MARINOV 1995
CH3+O2=CH3O+O 1.45E+13 0.0 29209.0 !KLATT 1991
CH3+O2=CH2O+OH 2.51E+11 0.0 14640.0 !MARINOV 1995
CH3O+H=CH3+OH 1.00E+14 0.0 0.0 !MILLER 1992
CH3+OH=CH2(S)+H2O 2.65E+13 0.0 2186.0 !HUMPFER 1994
CH3+OH=CH2+H2O 3.00E+06 2.0 2500.0 !MARINOV 1996
CH3+OH=HCOH+H2 5.48E+13 0.0 2981.0 !HUMPFER 1994
CH3+OH=CH2O+H2 2.25E+13 0.0 4300.0 ! (B)
CH3+H=CH2+H2 9.00E+13 0.0 15100.0 !MILLER 1992
CH3+M=CH+H2+M 6.90E+14 0.0 82469.0 !MARKUS 1992
CH3+M=CH2+H+M 1.90E+16 0.0 91411.0 !MARKUS 1992
CH3+OH(+M)=CH3OH(+M) 5.65E+13 0.1 0.0 !FAGERSTROM 1993
LOW/ 5.75E+41 -7.4 626.0 / ! (C)
TROE / 0.025 1.0E-15 8000.0 3000.0/
H2O /16.0/ H2/2.0/ CO2/3.0/ CO/2.0/
CH3OH(+M)=HCOH+H2(+M) 4.15E+16 -0.15 92285.0 ! (D)
LOW / 4.23E+44 -7.65 92911.0 /
TROE / 0.025 1.0E-15 8000.0 3000.0/
H2O/16.0/ H2/2.0/ CO2/3.0/ CO/2.0/
CH3OH+OH=CH2OH+H2O 2.61E+05 2.182 -1344.0 !TSANG 1987
CH3OH+OH=CH3O+H2O 2.62E+06 2.056 916.0 !TSANG 1987
CH3OH+O=CH2OH+OH 3.88E+05 2.5 3080.0 !TSANG 1987
CH3OH+H=CH2OH+H2 1.70E+07 2.1 4868.0 !TSANG 1987
CH3OH+H=CH3O+H2 4.24E+06 2.1 4868.0 !TSANG 1987
CH3OH+HO2=CH2OH+H2O2 9.64E+10 0.0 12578.0 !TSANG 1987
CH3O+M=CH2O+H+M 5.45E+13 0.0 13497.0 !CHOUDHURY1990
CH2OH+M=CH2O+H+M 1.00E+14 0.0 25000.0 !MILLER 1992
CH3O+H=CH2O+H2 2.00E+13 0.0 0.0 !MILLER 1992
CH2OH+H=CH2O+H2 2.00E+13 0.0 0.0 !MILLER 1992
CH3O+OH=CH2O+H2O 1.00E+13 0.0 0.0 !MILLER 1992
CH2OH+OH=CH2O+H2O 1.00E+13 0.0 0.0 !MILLER 1992
CH3O+O=CH2O+OH 1.00E+13 0.0 0.0 !MILLER 1992
CH2OH+O=CH2O+OH 1.00E+13 0.0 0.0 !MILLER 1992
CH3O+O2=CH2O+HO2 6.30E+10 0.0 2600.0 !MILLER 1992
CH2OH+O2=CH2O+HO2 1.57E+15 -1.0 0.0 !BAULCH 1992
DUP
CH2OH+O2=CH2O+HO2 7.23E+13 0.0 3577.0 !BAULCH 1992
DUP
HCOH+OH=HCO+H2O 2.00E+13 0.0 0.0 !MARINOV 1996
HCOH+H=CH2O+H 2.00E+14 0.0 0.0 !MARINOV 1996
HCOH+O=CO2+H+H 5.00E+13 0.0 0.0 !MARINOV 1996
HCOH+O=CO+OH+H 3.00E+13 0.0 0.0 !MARINOV 1996
HCOH+O2=CO2+H+OH 5.00E+12 0.0 0.0 ! (E)
HCOH+O2=CO2+H2O 3.00E+13 0.0 0.0 ! (E)
CH2+H=CH+H2 1.00E+18 -1.56 0.0 !MILLER 1992
CH2+OH=CH+H2O 1.13E+07 2.0 3000.0 !MILLER 1992
CH2+OH=CH2O+H 2.50E+13 0.0 0.0 !MILLER 1992
CH2+CO2=CH2O+CO 1.10E+11 0.0 1000.0 !MILLER 1992
CH2+O=CO+H+H 5.00E+13 0.0 0.0 !MILLER 1992
CH2+O=CO+H2 3.00E+13 0.0 0.0 !MILLER 1992
CH2+O2=CH2O+O 3.29E+21 -3.3 2868.0 ! (F)
CH2+O2=CO2+H+H 3.29E+21 -3.3 2868.0 ! (F)
CH2+O2=CO2+H2 1.01E+21 -3.3 1508.0 ! (F)
CH2+O2=CO+H2O 7.28E+19 -2.54 1809.0 ! (F)
CH2+O2=HCO+OH 1.29E+20 -3.3 284.0 ! (F)
CH2+CH3=C2H4+H 4.00E+13 0.0 0.0 ! MILLER 1992
CH2+CH2=C2H2+H+H 4.00E+13 0.0 0.0 ! MILLER 1992
CH2+HCCO=C2H3+CO 3.00E+13 0.0 0.0 ! MILLER 1992
CH2+C2H2=H2CCCH+H 1.20E+13 0.0 6600.0 ! MILLER 1992
CH2(S)+M=CH2+M 1.00E+13 0.0 0.0 ! MILLER 1992
H /12.0/ C2H2 /4.0/ H2O/3.0/
CH2(S)+CH4=CH3+CH3 4.00E+13 0.0 0.0 ! MILLER 1992
CH2(S)+C2H6=CH3+C2H5 1.20E+14 0.0 0.0 ! MILLER 1992
CH2(S)+O2=CO+OH+H 7.00E+13 0.0 0.0 ! MILLER 1992
CH2(S)+H2=CH3+H 7.00E+13 0.0 0.0 ! MILLER 1992
CH2(S)+C2H2=H2CCCH+H 1.50E+14 0.0 0.0 ! CANOSA-MAS85
CH2(S)+C2H4=AC3H5+H 1.30E+14 0.0 0.0 ! CANOSA-MAS85
CH2(S)+O=CO+H+H 3.00E+13 0.0 0.0 ! MILLER 1992
CH2(S)+OH=CH2O+H 3.00E+13 0.0 0.0 ! MILLER 1992
CH2(S)+H=CH+H2 3.00E+13 0.0 0.0 ! MILLER 1992
CH2(S)+CO2=CH2O+CO 3.00E+12 0.0 0.0 ! MILLER 1992
CH2(S)+CH3=C2H4+H 2.00E+13 0.0 0.0 ! MILLER 1992
CH2(S)+CH2CO=C2H4+CO 1.60E+14 0.0 0.0 ! MILLER 1992
CH+O2=HCO+O 3.30E+13 0.0 0.0 ! MILLER 1992
CH+O=CO+H 5.70E+13 0.0 0.0 ! MILLER 1992
CH+OH=HCO+H 3.00E+13 0.0 0.0 ! MILLER 1992
CH+OH=C+H2O 4.00E+07 2.0 3000.0 ! MILLER 1992
CH+CO2=HCO+CO 3.40E+12 0.0 690.0 ! MILLER 1992
CH+H=C+H2 1.50E+14 0.0 0.0 ! MILLER 1992
CH+H2O=CH2O+H 1.17E+15 -0.75 0.0 ! MILLER 1992
CH+CH2O=CH2CO+H 9.46E+13 0.0 -515.0 ! MILLER 1992
CH+C2H2=C3H2+H 1.00E+14 0.0 0.0 ! MILLER 1992
CH+CH2=C2H2+H 4.00E+13 0.0 0.0 ! MILLER 1992
CH+CH3=C2H3+H 3.00E+13 0.0 0.0 ! MILLER 1992
CH+CH4=C2H4+H 6.00E+13 0.0 0.0 ! MILLER 1992
C+O2=CO+O 2.00E+13 0.0 0.0 ! MILLER 1992
C+OH=CO+H 5.00E+13 0.0 0.0 ! MILLER 1992
C+CH3=C2H2+H 5.00E+13 0.0 0.0 ! MILLER 1992
C+CH2=C2H+H 5.00E+13 0.0 0.0 ! MILLER 1992
CH2O+OH=HCO+H2O 3.43E+09 1.18 -447.0 ! MILLER 1992
CH2O+H=HCO+H2 2.19E+08 1.77 3000.0 ! MILLER 1992
CH2O+M=HCO+H+M 3.31E+16 0.0 81000.0 ! MILLER 1992
CH2O+O=HCO+OH 1.80E+13 0.0 3080.0 ! MILLER 1992
HCO+O2=HO2+CO 7.58E+12 0.0 410.0 ! TIMONEN 1988
HCO+M=H+CO+M 1.86E+17 -1.0 17000.0 ! TIMONEN 1987
H2O/5.0/ H2/1.87/ CO2/3.0/ CO/1.87/ CH4/2.81/
HCO+OH=H2O+CO 1.00E+14 0.0 0.0 ! MILLER 1992
HCO+H=CO+H2 1.19E+13 0.25 0.0 ! MILLER 1992
HCO+O=CO+OH 3.00E+13 0.0 0.0 ! MILLER 1992
HCO+O=CO2+H 3.00E+13 0.0 0.0 ! MILLER 1992
CO+OH=CO2+H 9.42E+03 2.25 -2351.0 ! (G)
CO+O+M=CO2+M 6.17E+14 0.0 3000.0 ! MILLER 1992
CO+O2=CO2+O 2.53E+12 0.0 47688.0 ! MILLER 1992
CO+HO2=CO2+OH 5.80E+13 0.0 22934.0 ! MILLER 1992
C2H6+CH3=C2H5+CH4 5.50E-01 4.0 8300.0 ! MILLER 1992
C2H6+H=C2H5+H2 5.40E+02 3.5 5210.0 ! MILLER 1992
C2H6+O=C2H5+OH 3.00E+07 2.0 5115.0 ! MILLER 1992
C2H6+OH=C2H5+H2O 7.23E+06 2.0 864.0 ! BAULCH 1992
C2H5+H=C2H4+H2 1.25E+14 0.0 8000.0 ! MARINOV 1995
C2H5+H=CH3+CH3 3.00E+13 0.0 0.0 ! WARNATZ 1984
C2H5+H=C2H6 1.00E+14 0.0 0.0 ! MARINOV 1996
C2H5+OH=C2H4+H2O 4.00E+13 0.0 0.0 ! MARINOV 1995
C2H5+O=CH3+CH2O 1.00E+14 0.0 0.0 ! HERRON 1988
C2H5+HO2=CH3+CH2O+OH 3.00E+13 0.0 0.0 ! MARINOV 1995
C2H5+O2=C2H4+HO2 3.00E+20 -2.86 6760.0 ! MARINOV 1995
C2H4+H=C2H3+H2 3.36E-07 6.0 1692.0 ! DAGAUT 1990
C2H4+OH=C2H3+H2O 2.02E+13 0.0 5936.0 ! MILLER 1992
C2H4+O=CH3+HCO 1.02E+07 1.88 179.0 ! BAULCH 1994
C2H4+O=CH2HCO+H 3.39E+06 1.88 179.0 ! BAULCH 1994
C2H4+CH3=C2H3+CH4 6.62E+00 3.7 9500.0 ! MARINOV 1995
C2H4+H (+M)=C2H5(+M) 1.08E+12 0.454 1822.0 ! FENG 1993
LOW / 1.112E+34 -5.0 4448.0 / ! (H)
TROE / 1.0 1.0E-15 95.0 200.0 /
H2O /5.0/ H2/2.0/ CO2/3.0/ CO/2.0/
C2H4(+M)=C2H2+H2(+M) 1.8E+13 0.0 76000. ! TOWELL 1961
LOW / 1.5E+15 0.0 55443. / ! KIEFER 1983
C2H4(+M)=C2H3+H(+M) 2.00E+16 0.0 110000. ! DEAN 1985
LOW / 1.4E+15 0.0 81833. / ! KIEFER 1983
C2H3+H=C2H2+H2 4.00E+13 0.0 0.0 ! MILLER 1992
C2H3+O=CH2CO+H 3.00E+13 0.0 0.0 ! MILLER 1992
C2H3+O2=CH2O+HCO 1.70E+29 -5.312 6500. ! MARINOV 1998
C2H3+O2=CH2HCO+O 3.50E+14 -0.611 5260. ! MARINOV 1998
C2H3+O2=C2H2+HO2 2.12E-06 6.0 9484.0 ! CFM/NMM 1996
C2H3+OH=C2H2+H2O 2.00E+13 0.0 0.0 ! MILLER 1992
C2H3+C2H=C2H2+C2H2 3.00E+13 0.0 0.0 ! MILLER 1992
C2H3+CH=CH2+C2H2 5.00E+13 0.0 0.0 ! MILLER 1992
C2H3+CH3=AC3H5+H 4.73E+02 3.7 5677.0 ! (I)
C2H3+CH3=C3H6 4.46E+56 -13.0 13865.0 ! (I)
C2H3+CH3=C2H2+CH4 2.00E+13 0.0 0.0 ! FAHR 1991
C2H3+C2H2=CH2CHCCH+H 2.00E+12 0.0 5000.0 ! MILLER 1992
C2H3+C2H4=CH2CHCHCH2+H 5.00E+11 0.0 7304.0 ! TSANG 1986
C2H3+C2H3=CH2CHCCH2+H 7.00E+13 0.0 0.0 ! FAHR 1991
C2H3+C2H3=C2H4+C2H2 1.45E+13 0.0 0.0 ! FAHR 1991
C2H2+OH=C2H+H2O 3.37E+07 2.0 14000.0 ! MILLER 1992
C2H2+OH=HCCOH+H 5.04E+05 2.3 13500.0 ! MILLER 1992
C2H2+OH=CH2CO+H 2.18E-04 4.5 -1000.0 ! MILLER 1992
DUP
C2H2+OH=CH2CO+H 2.00E+11 0.0 0.0 ! VANDOOREN 1977
DUP
C2H2+OH=CH3+CO 4.83E-04 4.0 -2000.0 ! MILLER 1992
HCCOH+H=CH2CO+H 1.00E+13 0.0 0.0 ! MILLER 1992
C2H2+O=CH2+CO 6.12E+06 2.0 1900.0 ! (J)
C2H2+O=HCCO+H 1.43E+07 2.0 1900.0 ! (J)
C2H2+O=C2H+OH 3.16E+15 -0.6 15000.0 ! MILLER 1992
C2H2+CH3=C2H+CH4 1.81E+11 0.0 17289.0 ! TSANG 1986
C2H2+O2=HCCO+OH 4.00E+07 1.5 30100. ! MARINOV 1998
C2H2+M=C2H+H+M 4.20E+16 0.0 107000.0 ! MILLER 1992
C2H2+H (+M)=C2H3(+M) 3.11E+11 0.58 2589.0 ! KNYAZEV 1995
LOW / 2.25E+40 -7.269 6577.0 / ! (K)
TROE /1.0 1.0E-15 675.0 1.0E+15 /
H2O /5.0/ H2/2.0/ CO2/3.0/ CO/2.0/
CH3HCO+OH=CH3CO+H2O 5.37E+10 0.73 -1110.0 ! MARINOV 1995
CH3HCO+H=CH3CO+H2 4.09E+09 1.16 2400.0 ! MARINOV 1995
CH3HCO+O=CH3CO+OH 5.89E+12 0.0 1810.0 ! MARINOV 1995
CH3HCO+HO2=CH3CO+H2O2 1.70E+12 0.0 10700.0 ! MARINOV 1995
CH3HCO+O2=CH3CO+HO2 2.00E+13 0.5 42200.0 ! MARINOV 1995
CH3HCO+CH3=CH3CO+CH4 2.00E-06 5.64 2464.0 ! MARINOV 1996
CH2HCO+H=CH2CO+H2 4.00E+13 0.0 0.0 ! MARINOV 1996
CH2HCO+O=CH2O+HCO 1.00E+14 0.0 0.0 ! MARINOV 1996
CH2HCO+OH=CH2CO+H2O 3.00E+13 0.0 0.0 ! MARINOV 1996
CH2HCO+O2=CH2O+CO+OH 3.00E+10 0.0 0.0 ! BAULCH 1992
CH2HCO+CH3=>C2H5+CO+H 4.90E+14 -0.50 0.0 ! (L)
CH2HCO=CH2CO+H 3.95E+38 -7.649 45115.0 ! MARINOV 1995
CHOCHO(+M)=CH2O+CO(+M) 4.27E+12 0.0 50600.0 ! MARINOV 1995
LOW / 8.91E+16 0.0 49200.0 / ! MARINOV 1995
CHOCHO=CO+CO+H2 4.07E+42 -8.5 69278.0 ! (M)
CHOCHO+OH=HCO+CO+H2O 1.00E+13 0.0 0.0 ! MARINOV 1995
CHOCHO+O=HCO+CO+OH 7.24E+12 0.0 1970.0 ! MARINOV 1995
CHOCHO+H=CH2O+HCO 1.00E+12 0.0 0.0 ! MARINOV 1995
CHOCHO+HO2=HCO+CO+H2O2 1.70E+12 0.0 10700.0 ! MARINOV 1995
CHOCHO+CH3=HCO+CO+CH4 1.74E+12 0.0 8440.0 ! MARINOV 1995
CHOCHO+O2=HCO+CO+HO2 1.00E+14 0.0 37000.0 ! MARINOV 1995
CH3CO(+M)=CH3+CO(+M) 3.00E+12 0.0 16722.0 ! WARNATZ 1984
LOW / 1.20E+15 0.0 12518.0 / ! WARNATZ 1984
CH2CO+O=CO2+CH2 1.75E+12 0.0 1350.0 ! MARINOV 1995
CH2CO+H=CH3+CO 7.00E+12 0.0 3011.0 ! WARNATZ 1984
CH2CO+H=HCCO+H2 2.00E+14 0.0 8000.0 ! (N)
CH2CO+O=HCCO+OH 1.00E+13 0.0 8000.0 ! MILLER 1992
CH2CO+OH=HCCO+H2O 1.00E+13 0.0 2000.0 ! MILLER 1992 (O)
CH2CO+OH=CH2OH+CO 3.73E+12 0.0 -1013.0 ! BROWN 1989
CH2CO(+M)=CH2+CO(+M) 3.00E+14 0.0 70980.0 ! MILLER 1992
LOW / 3.60E+15 0.0 59270.0 / ! MILLER 1992
C2H+H2=C2H2+H 4.09E+05 2.39 864.3 ! MILLER 1992
C2H+O=CH+CO 5.00E+13 0.0 0.0 ! MILLER 1992
C2H+OH=HCCO+H 2.00E+13 0. 0.0 ! MILLER 1992
C2H+OH=C2+H2O 4.00E+07 2.0 8000.0 ! MILLER 1992
C2H+O2=CO+CO+H 9.04E+12 0.0 -457.0 ! OPANSKY 1993
C2H+C2H2=C4H2+H 9.64E+13 0.0 0.0 ! FARHAT 1993
C2H+C2H4=CH2CHCCH+H 1.20E+13 0.0 0.0 ! TSANG 1986
HCCO+C2H2=H2CCCH+CO 1.00E+11 0.0 3000.0 ! MILLER 1992
HCCO+H=CH2(S)+CO 1.00E+14 0.0 0.0 ! MILLER 1992
HCCO+O=H+CO+CO 8.00E+13 0.0 0.0 ! PEETERS 1995
HCCO+O=CH+CO2 2.95E+13 0.0 1113.0 ! PEETERS 1995
HCCO+O2=HCO+CO+O 2.50E+08 1.0 0.0 ! MARINOV 1998
HCCO+O2=CO2+HCO 2.40E+11 0.0 -854.0 ! MARINOV 1998
HCCO+CH=C2H2+CO 5.00E+13 0.0 0.0 ! MILLER 1992
HCCO+HCCO=C2H2+CO+CO 1.00E+13 0.0 0.0 ! MILLER 1992
HCCO+OH=C2O+H2O 3.00E+13 0.0 0.0 ! MILLER 1992
C2O+H=CH+CO 1.00E+13 0.0 0.0 ! MILLER 1992
C2O+O=CO+CO 5.00E+13 0.0 0.0 ! MILLER 1992
C2O+OH=CO+CO+H 2.00E+13 0.0 0.0 ! MILLER 1992
C2O+O2=CO+CO+O 2.00E+13 0.0 0.0 ! MILLER 1992
C2+H2=C2H+H 4.00E+05 2.4 1000.0 ! MILLER 1992
C2+O2=CO+CO 5.00E+13 0.0 0.0 ! MILLER 1992
C2+OH=C2O+H 5.00E+13 0.0 0.0 ! MILLER 1992
C3H8(+M)=C2H5+CH3(+M) 7.90E+22 -1.8 88629.0 ! TSANG 1988
LOW / 7.237E+27 -2.88 67448.0 / ! AL-ALAMI 1983
TROE /1.0 1.0E-15 1500.0 1.0E+15/
H2O/5.0/ CO2/3.0/ CO/2.0/ H2/2.0/
C3H8+O2=IC3H7+HO2 4.00E+13 0.0 48610.0 ! TSANG 1988
C3H8+O2=NC3H7+HO2 4.00E+13 0.0 51360.0 ! TSANG 1988
C3H8+HO2=NC3H7+H2O2 4.76E+04 2.55 16492.0 ! TSANG 1988
C3H8+HO2=IC3H7+H2O2 9.64E+03 2.6 13909.0 ! TSANG 1988
C3H8+OH=NC3H7+H2O 3.16E+07 1.8 934.0 ! COHEN 1991
C3H8+OH=IC3H7+H2O 7.08E+06 1.9 -159.0 ! COHEN 1991
C3H8+O=NC3H7+OH 3.73E+06 2.4 5504.0 ! COHEN 1986
C3H8+O=IC3H7+OH 5.48E+05 2.5 3139.0 ! COHEN 1986
C3H8+H=IC3H7+H2 1.30E+06 2.4 4471.0 ! TSANG 1988
C3H8+H=NC3H7+H2 1.33E+06 2.54 6756.0 ! TSANG 1988
C3H8+CH3=NC3H7+CH4 9.04E-01 3.65 7153.0 ! TSANG 1988
C3H8+CH3=IC3H7+CH4 1.51E+00 3.46 5480.0 ! TSANG 1988
C3H8+C2H3=IC3H7+C2H4 1.00E+03 3.1 8830.0 ! TSANG 1988
C3H8+C2H3=NC3H7+C2H4 6.00E+02 3.3 10500.0 ! TSANG 1988
C3H8+C2H5=IC3H7+C2H6 1.51E+00 3.46 7470.0 ! TSANG 1988
C3H8+C2H5=NC3H7+C2H6 9.03E-01 3.65 9140.0 ! TSANG 1988
C3H8+AC3H5=C3H6+NC3H7 2.35E+02 3.3 19842.0 ! TSANG 1988
C3H8+AC3H5=C3H6+IC3H7 7.83E+01 3.3 18169.0 ! TSANG 1988
NC3H7(+M)=C2H4+CH3(+M) 1.23E+13 -0.1 30202.0 ! BENCSURA 1992
LOW / 5.485E+49 -10.0 35766.0 / ! BENCSURA 1992
TROE / 2.17 1.0E-15 251.0 1185.0 /
H2O /5.0/ H2/2.0/ CO2/3.0/ CO/2.0/
NC3H7+O2=C3H6+HO2 3.58E+09 0.0 -3532.0 ! DAGAUT 1992
IC3H7+O2=C3H6+HO2 6.10E+20 -2.86 7910.0 ! (P)
C3H6+H(+M)=IC3H7(+M) 5.70E+09 1.16 874.0 ! SEAKINS 1993
LOW / 1.64E+54 -11.1 9364.0 / ! MARINOV 1996
TROE / 1.0 1.0E-15 260.0 3000.0 /
H2O /5.0/ H2/2.0/ CO2/3.0/ CO/2.0/
IC3H7+H=C2H5+CH3 5.00E+13 0.0 0.0 ! TSANG 1988
NC3H7+H=C2H5+CH3 1.00E+14 0.0 0.0 ! TSANG 1988
C3H6=PC3H5+H 7.58E+14 0.0 101300.0 ! DAGAUT 1992
C3H6=SC3H5+H 1.45E+15 0.0 98060.0 ! DAGAUT 1992
C3H6=C2H2+CH4 2.50E+12 0.0 70000.0 ! HIDAKA 1992
C3H6=AC3H4+H2 3.00E+13 0.0 80000.0 ! HIDAKA 1992
C3H6+HO2=AC3H5+H2O2 9.64E+03 2.6 13910.0 ! TSANG 1991
C3H6+OH+O2=CH3HCO+CH2O+OH 3.00E+10 0.0 -8280.0 ! DAGAUT 1992
C3H6+OH=AC3H5+H2O 3.12E+06 2.0 -298.0 ! TSANG 1991
C3H6+OH=SC3H5+H2O 1.11E+06 2.0 1451.0 ! TSANG 1991
C3H6+OH=PC3H5+H2O 2.11E+06 2.0 2778.0 ! TSANG 1991
C3H6+O=CH3CHCO+H+H 5.01E+07 1.76 76.0 ! TSANG 1991
C3H6+O=C2H5+HCO 1.58E+07 1.76 -1216.0 ! TSANG 1991
C3H6+O=AC3H5+OH 5.24E+11 0.7 5884.0 ! TSANG 1991
C3H6+O=PC3H5+OH 1.20E+11 0.7 8959.0 ! TSANG 1991
C3H6+O=SC3H5+OH 6.03E+10 0.7 7632.0 ! TSANG 1991
C3H6+H=C2H4+CH3 7.23E+12 0.0 1302.0 ! TSANG 1991
C3H6+H=AC3H5+H2 1.73E+05 2.5 2492.0 ! TSANG 1991
C3H6+H=SC3H5+H2 4.09E+05 2.5 9794.0 ! TSANG 1991
C3H6+H=PC3H5+H2 8.04E+05 2.5 12284.0 ! TSANG 1991
C3H6+O2=PC3H5+HO2 2.00E+13 0.0 47600.0 ! DAGAUT 1992
C3H6+O2=SC3H5+HO2 2.00E+13 0.0 44000.0 ! DAGAUT 1992
C3H6+O2=AC3H5+HO2 2.29E+12 0.0 39200.0 ! DAGAUT 1992
C3H6+CH3=AC3H5+CH4 2.22E+00 3.5 5675.0 ! TSANG 1991
C3H6+CH3=SC3H5+CH4 8.43E-01 3.5 11656.0 ! TSANG 1991
C3H6+CH3=PC3H5+CH4 1.35E+00 3.5 12848.0 ! TSANG 1991
C3H6+HCO=AC3H5+CH2O 1.08E+07 1.9 17010.0 ! TSANG 1991
CH3CHCO+OH=CH2CHCO+H2O 4.00E+06 2.0 0.0 ! (Q)
CH3CHCO+O=CH2CHCO+OH 7.60E+08 1.5 8500.0 ! (Q)
CH3CHCO+H=CH2CHCO+H2 2.00E+05 2.5 2500.0 ! (Q)
CH3CHCO+H=C2H5+CO 2.00E+13 0.0 2000.0 ! (R)
CH3CHCO+O=CH3+HCO+CO 3.00E+07 2.0 0.0 ! (S)
CH2CHCHO+OH=CH2CHCO+H2O 1.00E+13 0.0 0.0 ! (T)
CH2CHCHO+O=CH2CHCO+OH 7.24E+12 0.0 1970.0 ! (T)
CH2CHCHO+O=CH2CO+HCO+H 5.01E+07 1.76 76.0 ! (S)
CH2CHCHO+H=CH2CHCO+H2 3.98E+13 0.0 4200.0 ! (T)
CH2CHCHO+H=C2H4+HCO 2.00E+13 0.0 3500.0 ! (R)
CH2CHCHO+O2=CH2CHCO+HO2 3.00E+13 0.0 36000.0 ! (U)
CH2CHCO=C2H3+CO 1.00E+14 0.0 34000.0 ! (V)
CH2CHCO+O=C2H3+CO2 1.00E+14 0.0 0.0 ! (W)
AC3H5+O2=CH2CHCHO+OH 1.82E+13 -0.41 22859.0 ! BOZZELLI 1993
AC3H5+O2=AC3H4+HO2 4.99E+15 -1.4 22428.0 ! BOZZELLI 1993
AC3H5+O2=CH2HCO+CH2O 1.06E+10 0.34 12838.0 ! BOZZELLI 1993
AC3H5+O2=C2H2+CH2O+OH 2.78E+25 -4.8 15468.0 ! BOZZELLI 1993
AC3H5+HO2=CH2CHCHO+H+OH 1.00E+13 0.0 0.0 ! TSANG 1991
AC3H5+OH=AC3H4+H2O 1.00E+13 0.0 0.0 ! TSANG 1991
AC3H5+H=AC3H4+H2 5.00E+13 0.0 0.0 ! TSANG 1991 (X)
AC3H5+H=C3H6 1.88E+26 -3.6 5468.0 ! (Y)
AC3H5+O=CH2CHCHO+H 1.81E+14 0.0 0.0 ! SLAGLE 1992
AC3H5+CH3=AC3H4+CH4 3.02E+12 -0.32 -131.0 ! TSANG 1991
AC3H5+C2H2=C-C5H6+H 2.95E+32 -5.83 25733.0 ! (Y)
AC3H5+CH3=C4H8-1 1.76E+50 -11.0 18600.0 ! (Y)
AC3H5+C2H3=C-C5H6+H+H 1.59E+65 -14.0 61265.0 ! (Y)
PC3H5+O2=CH3HCO+HCO 1.09E+23 -3.29 3892.0 ! (Z)
PC3H5+O2=CH3CHCO+H+O 1.60E+15 -0.78 3135.0 ! (Z)
PC3H5+O=CH3CHCO+H 1.00E+14 0.0 0.0 ! (AA)
PC3H5+H=PC3H4+H2 2.00E+13 0.0 0.0 ! (AA)
PC3H5+OH=PC3H4+H2O 1.00E+13 0.0 0.0 ! (AA)
PC3H5+H=AC3H5+H 1.00E+14 0.0 0.0 ! MARINOV 1996
SC3H5+H=AC3H5+H 1.00E+14 0.0 0.0 ! MARINOV 1996
SC3H5+O2=CH3CO+CH2O 1.09E+22 -3.29 3892.0 ! (Z)
SC3H5+O=CH2CO+CH3 1.00E+14 0.0 0.0 ! (AA)
SC3H5+H=PC3H4+H2 4.00E+13 0.0 0.0 ! (AA)
SC3H5+OH=PC3H4+H2O 2.00E+13 0.0 0.0 ! (AA)
AC3H4+H=H2CCCH+H2 2.00E+07 2.0 5000.0 ! MARINOV 1998
AC3H4+O=C2H4+CO 1.34E+07 1.88 179.0 ! (BB)
AC3H4+OH=H2CCCH+H2O 1.00E+07 2.0 1000.0 ! MARINOV 1998
AC3H4+CH3=H2CCCH+CH4 1.50E+00 3.5 5600.0 ! MARINOV 1998
AC3H4=PC3H4 1.48E+13 0.0 60401. ! LIFSHITZ 1975
PC3H4+H=H2CCCH+H2 2.00E+07 2.0 5000.0 ! MARINOV 1998
PC3H4+O=C2H4+CO 1.50E+13 0.0 2102.0 ! WARNATZ84 (CC)
PC3H4+OH=H2CCCH+H2O 1.00E+07 2.0 1000.0 ! MARINOV 1998
PC3H4+CH3=H2CCCH+CH4 1.50E+00 3.5 5600.0 ! MARINOV 1998
PC3H4+H=CH3+C2H2 5.12E+10 1.0 2060.0 ! MARINOV 1998
PC3H4+H(+M)=SC3H5(+M) 6.50E+12 0.0 2000.0 ! WAGNER 1972
LOW / 8.45E+39 -7.27 6577.0 / ! (DD)
AC3H4+H(+M)=AC3H5(+M) 1.20E+11 0.69 3007.0 ! TSANG 1992
LOW / 5.56E+33 -5.0 4448.0 / ! (EE)
AC3H4+H(+M)=SC3H5(+M) 8.49E+12 0.0 2000.0 ! WAGNER 1972
LOW / 1.11E+34 -5.0 4448.0 / ! (EE)
H2CCCH+O2=CH2CO+HCO 3.00E+10 0.0 2868.0 ! MILLER 1992
H2CCCH+O=CH2O+C2H 2.00E+13 0.0 0.0 ! MILLER 1992
H2CCCH+H=C3H2+H2 5.00E+13 0.0 3000.0 ! MILLER 1992
H2CCCH+OH=C3H2+H2O 2.00E+13 0.0 0.0 ! MILLER 1992
H2CCCH+C2H3=C-C5H5+H 9.63E+40 -7.8 28820.0 ! MARINOV 1996
H2CCCH+CH3=CH3CHCCH2 5.00E+12 0.0 0.0 ! WU 1987
H2CCCH+CH3=CH3CH2CCH 5.00E+12 0.0 0.0 ! WU 1987
H2CCCH+CH=HCCHCCH+H 7.00E+13 0.0 0.0 ! MILLER 1992
H2CCCH+CH=H2CCCCH+H 7.00E+13 0.0 0.0 ! MILLER 1992
H2CCCH+H(+M)=AC3H4(+M) 1.66E+15 -0.37 0.0 ! (FF)
LOW / 3.36E+45 -8.52 6293.0 / ! KIEFER 1995 (GG)
H2O/5.0/ H2/2.0/ CO2/3.0/ CO/2.0/ O2/2.0/ C2H2/2.0/
H2CCCH+H(+M)=PC3H4(+M) 1.66E+15 -0.37 0.0 ! (FF)
LOW / 8.78E+45 -8.9 7974.0 / ! KIEFER 1995 (GG)
H2O /5.0/ H2/2.0/ CO2/3.0/ CO/2.0/ O2/2.0/ C2H2/2.0/
H2CCCH+H2CCCH=C6H6 5.562E20 -2.535 1692.0 ! MARINOV 1998
H2CCCH+AC3H5=FULVENE+H+H 5.562E20 -2.535 1692.0 ! MARINOV 1998
H2CCCH+H2CCCH=C6H5+H 2.00E12 0.0 0.0 ! MARINOV 1998
C3H2+O2=HCCO+CO+H 5.00E+13 0.0 0.0 ! MILLER 1992
C3H2+OH=C2H2+HCO 5.00E+13 0.0 0.0 ! MILLER 1992
CHCHCHO+O2=HCO+CHOCHO 3.00E+12 0.0 0.0 ! (HH)
CHCHCHO=C2H2+HCO 1.00E+14 0.0 33000.0 ! (II)
CHCHCHO+H=CH2CHCO+H 1.00E+14 0.0 0.0 ! MARINOV 1996
CHCHCHO+OH=HCCCHO+H2O 1.00E+13 0.0 0.0 ! (AA)
CHCHCHO+H=HCCCHO+H2 2.00E+13 0.0 0.0 ! (AA)
HCCCHO+H=C2H2+HCO 1.00E+14 0.0 3000.0 ! (JJ)
HCCCHO+OH=HCCCO+H2O 1.00E+13 0.0 0.0 ! (T)
HCCCHO+H=HCCCO+H2 4.00E+13 0.0 4200.0 ! (T)
HCCCO+O2=HCO+CO+CO 1.40E+09 1.0 0.0 ! (KK)
HCCCO+H=C2H2+CO 1.00E+14 0.0 0.0 ! (KK)
C4H10=C2H5+C2H5 2.00E+16 0.0 81300.0 ! PITZ 1991
C4H10=NC3H7+CH3 1.74E+17 0.0 85700.0 ! PITZ 1991
C4H10=PC4H9+H 1.00E+14 0.0 100000.0 ! PITZ 1991
C4H10=SC4H9+H 1.00E+14 0.0 100000.0 ! PITZ 1991
C4H10+O2=PC4H9+HO2 2.50E+13 0.0 49000.0 ! PITZ 1991
C4H10+O2=SC4H9+HO2 4.00E+13 0.0 47600.0 ! PITZ 1991
C4H10+AC3H5=PC4H9+C3H6 7.94E+11 0.0 20500.0 ! PITZ 1991
C4H10+AC3H5=SC4H9+C3H6 3.16E+11 0.0 16400.0 ! PITZ 1991
C4H10+CH3=PC4H9+CH4 5.00E+11 0.0 13600.0 ! MARINOV 1998
C4H10+CH3=SC4H9+CH4 4.30E+11 0.0 10500.0 ! MARINOV 1998
C4H10+H=PC4H9+H2 2.84E+05 2.54 6050.0 ! MARINOV 1998
C4H10+H=SC4H9+H2 5.68E+05 2.40 3765.0 ! MARINOV 1998
C4H10+OH=PC4H9+H2O 4.13E+07 1.73 753.0 ! PITZ 1991
C4H10+OH=SC4H9+H2O 7.23E+07 1.64 -247.0 ! PITZ 1991
C4H10+O=PC4H9+OH 1.13E+14 0.0 7850.0 ! PITZ 1991
C4H10+O=SC4H9+OH 5.62E+13 0.0 5200.0 ! PITZ 1991
C4H10+HO2=PC4H9+H2O2 1.70E+13 0.0 20460.0 ! PITZ 1991
C4H10+HO2=SC4H9+H2O2 1.12E+13 0.0 17700.0 ! PITZ 1991
SC4H9(+M)=C3H6+CH3(+M) 2.14E+12 0.65 30856.0 ! KNYAZEV 1996
LOW /6.323E58 -12.85 35567./
H2O/5./ H2/2./ CO2/3./ CO/2./
SC4H9=C4H8-1+H 2.00E+13 0.0 40400.0 ! PITZ 1991
SC4H9=C4H8-2+H 5.01E+12 0.0 37900.0 ! PITZ 1991
PC4H9(+M)=C2H5+C2H4(+M) 1.06E13 0.0 27828.0 ! KNYAZEV 1996
LOW / 1.897E55 -11.91 32263./
H2O/5./ H2/2.0/ CO2/3.0/ CO/2.0/
PC4H9=C4H8-1+H 1.26E+13 0.0 38600.0 ! PITZ 1991
C4H8-1=C2H3+C2H5 1.00E+19 -1.0 96770.0 ! PITZ 1991
C4H8-1=H+C4H7 4.11E+18 -1.0 97350.0 ! PITZ 1991
C4H8-1+CH3=C4H7+CH4 1.00E+11 0.0 7300.0 ! PITZ 1991
C4H8-1+H=C4H7+H2 5.00E+13 0.0 3900.0 ! PITZ 1991
C4H8-1+O=NC3H7+HCO 1.80E+05 2.5 -1029.0 ! PITZ 1991
C4H8-1+O=CH2CHCHO+CH3+H 9.67E+04 2.5 -1029.0 ! PITZ 1991
C4H8-1+OH=C4H7+H2O 2.25E+13 0.0 2217.0 ! PITZ 1991
C4H8-1+AC3H5=C4H7+C3H6 7.90E+10 0.0 12400.0 ! PITZ 1991
C4H8-1+O2=C4H7+HO2 4.00E+12 0.0 33200.0 ! PITZ 1991
C4H8-2=H+C4H7 4.11E+18 -1.0 97350.0 ! PITZ 1991
C4H8-2+CH3=C4H7+CH4 1.00E+11 0.0 8200.0 ! PITZ 1991
C4H8-2+H=C4H7+H2 5.00E+13 0.0 3800.0 ! PITZ 1991
C4H8-2+O=IC3H7+HCO 2.79E+06 2.12 -1775.0 ! PITZ 1991
C4H8-2+OH=C4H7+H2O 3.90E+13 0.0 2217.0 ! PITZ 1991
C4H8-2+O=CH3CO+C2H5 1.53E+07 1.87 -1476.0 ! ADUSEI 1994
C4H8-2+O=CH3+CH3CHCO+H 8.22E+06 1.87 -1476.0 ! ADUSEI 1994
C4H8-2+O2=C4H7+HO2 8.00E+13 0.0 37400.0 ! PITZ 1991
C4H7=CH2CHCHCH2+H 1.00E+14 0.0 55000.0 ! PITZ 1991
C4H7+OH=CH2CHCHCH2+H2O 1.00E+13 0.0 0.0 ! PITZ 1991
C4H7+CH3=CH2CHCHCH2+CH4 8.00E+12 0.0 0.0 ! PITZ 1991
C4H7+AC3H5=C3H6+CH2CHCHCH2 6.31E+12 0.0 0.0 ! PITZ 1991
C4H7+O2=CH2CHCHCH2+HO2 1.00E+09 0.0 0.0 ! PITZ 1991
C4H7+H=CH2CHCHCH2+H2 3.16E+13 0.0 0.0 ! PITZ 1991
CH2CHCHCH2+OH=CH2CHCHCH+H2O 2.00E+07 2.0 5000.0 ! MILLER 1992
CH2CHCHCH2+OH=CH2CHCCH2+H2O 2.00E+07 2.0 2000.0 ! MILLER 1992
CH2CHCHCH2+O=HCO+AC3H5 6.02E+08 1.45 -858.0 ! ADUSEI 1993
CH2CHCHCH2+O=CH2HCO+C2H3 1.00E+12 0.0 0.0 ! PITZ 1991
CH2CHCHCH2+H=CH2CHCHCH+H2 3.00E+07 2.0 13000.0 ! MILLER 1992
CH2CHCHCH2+H=CH2CHCCH2+H2 3.00E+07 2.0 6000.0 ! MILLER 1992
CH3CH2CCH+OH=CH3CHCCH+H2O 1.00E+07 2.0 2000.0 ! (Q)
CH3CH2CCH+H=C2H5+C2H2 1.00E+14 0.0 3000.0 ! (JJ)
CH3CHCCH2+OH=CH2CHCCH2+H2O 2.00E+07 2.0 1000.0 ! (Q)
CH3CHCCH2+OH=CH3CCCH2+H2O 1.00E+07 2.0 2000.0 ! (LL)
CH3CHCCH2+OH=CH3CHCCH+H2O 2.00E+07 2.0 2500.0 ! (LL)
CH3CHCCH2+H=CH2CHCCH2+H2 5.00E+07 2.0 5000.0 ! (Q)
CH3CHCCH2+H=CH3CCCH2+H2 1.50E+07 2.0 6000.0 ! (LL)
CH3CHCCH2+H=CH3CHCCH+H2 3.00E+07 2.0 6500.0 ! (LL)
CH3CHCCH2+H=CH3+AC3H4 2.00E+13 0.0 2000.0 ! (R)
CH3CHCCH+H=CH3+H2CCCH 1.00E+14 0.0 0.0 ! MARINOV 1996
CH3CHCCH+O2=CH3CHCO+HCO 4.16E+10 0.0 2510.0 ! SLAGLE 1992
CH3CHCCH+OH=CH2CHCCH+H2O 3.00E+13 0.0 0.0 ! (MM)
CH2CHCCH2+H=CH3+H2CCCH 1.00E+14 0.0 0.0 ! (NN)
CH2CHCCH2+H=CH3CCCH2+H 3.00E+13 0.0 0.0 ! (NN)
CH2CHCCH2+C2H2=C6H6+H 3.00E+11 0.0 14900.0 ! MARINOV 1996
CH3CCCH2+H=CH3+H2CCCH 1.00E+14 0.0 0.0 ! MARINOV 1996
CH3CCCH2+O2=CH3CO+CH2CO 4.16E+10 0.0 2510.0 ! MARINOV 1996
CH3CCCH2+H=H2CCCCH2+H2 1.00E+14 0.0 8000.0 ! (MM)
CH3CCCH2+OH=H2CCCCH2+H2O 1.00E+13 0.0 0.0 ! (MM)
CH2CHCHCH+H=CH2CHCCH2+H 1.00E+14 0.0 0.0 ! MILLER 1992
CH2CHCHCH+OH=CH2CHCCH+H2O 2.00E+07 2.0 1000.0 ! MILLER 1992
CH2CHCHCH+H=CH2CHCCH+H2 3.00E+07 2.0 1000.0 ! MILLER 1992
CH2CHCHCH+C2H2=C6H6+H 1.60E+16 -1.33 5400.0 ! WANG 1994
CH3CHCCH(+M)=CH2CHCCH+H(+M) 1.00E+13 0.0 49000.0 ! (PP)
LOW / 2.00E+14 0.0 41000.0 / ! (PP)
CH3CCCH2(+M)=H2CCCCH2+H(+M) 1.00E+13 0.0 56000.0! MARINOV 1996
LOW / 2.00E14 0.0 48000.0/ ! MARINOV 1996
CH2CHCCH2(+M)=CH2CHCCH+H(+M) 1.00E+14 0.0 50000.0 ! MILLER 1992
LOW / 2.00E+15 0.0 42000.0 / ! MILLER 1992
CH2CHCHCH(+M)=CH2CHCCH+H(+M) 1.00E+14 0.0 37000.0 ! MILLER 1992
LOW / 1.00E+14 0.0 30000.0 / ! MILLER 1992
CH2CHCHCH+O2=CHCHCHO+CH2O 1.00E+12 0.0 0.0 ! (QQ)
CH2CHCHCH+O2=CH2CHCCH+HO2 1.00E+07 2.0 10000.0 ! (RR)
CH3CCCH2+H2CCCH=C6H5CH2+H 3.00E+12 0.0 0.0 ! MARINOV 1996
CH3CHCCH+H2CCCH=C6H5CH2+H 3.00E+12 0.0 0.0 ! MARINOV 1996
CH3CCCH2+CH3CCCH2=CH3C6H4CH2+H 3.00E+12 0.0 0.0 ! MARINOV 1996
CH3CHCCH+CH3CHCCH=CH3C6H4CH2+H 3.00E+12 0.0 0.0 ! MARINOV 1996
H2CCCCH2+OH=H2CCCCH+H2O 2.00E+07 2.0 2000.0 ! (SS)
H2CCCCH2+H=H2CCCCH+H2 3.00E+07 2.0 6000.0 ! (SS)
CH2CHCCH+OH=HCCHCCH+H2O 7.50E+06 2.0 5000.0 ! MILLER 1992
CH2CHCCH+H=HCCHCCH+H2 2.00E+07 2.0 15000.0 ! MILLER 1992
CH2CHCCH+OH=H2CCCCH+H2O 1.00E+07 2.0 2000.0 ! MILLER 1992
CH2CHCCH+H=H2CCCCH+H2 3.00E+07 2.0 5000.0 ! MILLER 1992
HCCHCCH+H=H2CCCCH+H 1.00E+14 0.0 0.0 ! MILLER 1992
HCCHCCH+C2H2=C6H5 9.60E+70 -17.77 31300.! WANG 1994
HCCHCCH+O2=HCCCHO+HCO 3.00E+12 0.0 0.0 ! (TT)
H2CCCCH+O2=CH2CO+HCCO 1.00E+12 0.0 0.0 ! MILLER 1992
H2CCCCH+OH=C4H2+H2O 3.00E+13 0.0 0.0 ! MILLER 1992
H2CCCCH+O=CH2CO+C2H 2.00E+13 0.0 0.0 ! MILLER 1992
H2CCCCH+O=H2C4O+H 2.00E+13 0.0 0.0 ! MILLER 1992
H2CCCCH+H=C4H2+H2 5.00E+13 0.0 0.0 ! MILLER 1992
H2CCCCH+CH2=AC3H4+C2H 2.00E+13 0.0 0.0 ! MILLER 1992
H2CCCCH+C2H2=C6H5 3.00E+11 0.0 14900.0 ! (UU)
H2CCCCH(+M)=C4H2+H(+M) 1.00E+14 0.0 47000.0 ! MARINOV 1998
LOW / 2.0E+15 0.0 40000.0/ ! MARINOV 1998
HCCHCCH(+M)=C4H2+H(+M) 1.00E+14 0.0 36000.0 ! MILLER 1992
LOW / 1.00E+14 0.0 30000.0 / ! MILLER 1992
C4H2+CH2=C5H3+H 1.30E+13 0.0 4326.0 ! MILLER 1992
C4H2+CH=C5H2+H 1.00E+14 0.0 0.0 ! MILLER 1992
C4H2+CH2(S)=C5H3+H 3.00E+13 0.0 0.0 ! MILLER 1992
C4H2+C2H=C6H2+H 9.60E+13 0.0 0.0 ! MARINOV 1996
C4H2+OH=H2C4O+H 6.66E+12 0.0 -410.0 ! MILLER 1992
C4H2+O=C3H2+CO 1.20E+12 0.0 0.0 ! MILLER 1992
H2C4O+H=C2H2+HCCO 5.00E+13 0.0 3000.0 ! MILLER 1992
H2C4O+OH=CH2CO+HCCO 1.00E+07 2.0 2000.0 ! MILLER 1992
L-C5H8+OH=L-C5H7+H2O 7.00E+06 2.0 0.0 ! (Q)
L-C5H8+H=L-C5H7+H2 7.00E+06 2.0 5000.0 ! (Q)
L-C5H8+H=AC3H5+C2H4 3.35E+08 1.5 2000.0 ! (R)
C-C5H7=C-C5H6+H 3.16E+15 0.0 36000.0 ! ARENDS 1993
C-C5H7=L-C5H7 3.16E+15 0.0 39500.0 ! ARENDS 1993
L-C5H7+O=CH2CHCHO+C2H3 2.00E+14 0.0 0.0 ! MARINOV 1996
L-C5H7+H=L-C5H8 1.00E+14 0.0 0.0 ! MARINOV 1996
C-C5H6+O2=C-C5H5+HO2 5.00E+13 0.0 35400.0 ! (VV)
C-C5H6+HO2=C-C5H5+H2O2 1.99E+12 0.0 11660.0 ! EMDEE 1992
C-C5H6+OH=C-C5H5+H2O 3.43E+09 1.18 -447.0 ! EMDEE 1992
C-C5H6+O=C-C5H5+OH 1.81E+13 0.0 3080.0 ! EMDEE 1992
C-C5H6+H=C-C5H5+H2 2.19E+08 1.77 3000.0 ! EMDEE 1992
C-C5H6+CH3=C-C5H5+CH4 3.11E+11 0.0 5500.0 ! (WW)
C-C5H6+C2H3=C-C5H5+C2H4 6.00E+12 0.0 0.0 ! EMDEE 1992
C-C5H6+CH2CHCHCH=C-C5H5+CH2CHCHCH2 6.00E+12 0.0 0.0 ! EMDEE 1992
C-C5H6+C6H5O=C-C5H5+C6H5OH 3.16E+11 0.0 8000.0 ! EMDEE 1992
C-C5H5+H=C-C5H6 2.00E+14 0.0 0.0 ! MARINOV 1996
C-C5H5+O=C-C5H4O+H 1.00E+14 0.0 0.0 ! MARINOV 1996
C-C5H5+HO2=C-C5H5O+OH 3.00E+13 0.0 0.0 ! EMDEE 1992
C-C5H5+OH=C-C5H4OH+H 3.00E+13 0.0 0.0 ! EMDEE 1992
C-C5H5+C-C5H5=C10H8+H+H 2.00E+13 0.0 8000.0 ! MARINOV 1998
C-C5H5O=CH2CHCHCH+CO 2.51E+11 0.0 43900.0 ! EMDEE 1992
C-C5H4OH=C-C5H4O+H 2.10E+13 0.0 48000.0 ! EMDEE 1992
C-C5H4O=CO+C2H2+C2H2 1.00E+15 0.0 78000.0 ! EMDEE 1992
C6H6+O2=C6H5+HO2 6.30E+13 0.0 60000.0 ! EMDEE 1992
C6H6+OH=C6H5+H2O 1.63E+08 1.42 1454.0 ! BAULCH 1992
C6H6+OH=C6H5OH+H 6.70E+12 0.0 10592.0 ! HE 1988 (XX)
C6H6+O=C6H5O+H 2.40E+13 0.0 4670.0 ! LEIDREITER 1989
C6H6+H=C6H5+H2 3.03E+02 3.3 5690.0 ! (YY)
C6H5+H=C6H6 8.00E+13 0.0 0.0 ! BAULCH 1992
C6H5+C2H4=C6H5C2H3+H 7.23E+01 3.5 8345.0 ! YU 1994
C6H5+C2H2=C6H5C2H+H 3.98E+13 0.0 10099.0 ! STEIN 1989
C6H5+OH=C6H5O+H 5.00E+13 0.0 0.0 ! MILLER 1992
C6H5+O=C-C5H5+CO 1.00E+14 0.0 0.0 ! FRANK 1994
C6H5+O2=C6H5O+O 2.60E+13 0.0 6120.0 ! FRANK 1994
C6H5+O2=OC6H4O+H 3.00E+13 0.0 8981.0 ! FRANK 1994
C6H5+C6H5=BIPHENYL 5.00E+12 0.0 0.0 ! FAHR 1989
C6H5+C6H6=BIPHENYL+H 4.00E+11 0.0 4000.0 ! FAHR 1989
OC6H4O=C-C5H4O+CO 1.00E+15 0.0 78000.0 ! MARINOV 1996
C6H5O=CO+C-C5H5 7.40E+11 0.0 43850.0 ! FRANK 1994
C6H5O+H=C6H5OH 1.00E+14 0.0 0.0 ! ARENDS 1993
C6H5O+H=C-2*4C6H6O 1.00E+14 0.0 0.0 ! ARENDS 1993
C6H5OH+OH=C6H5O+H2O 2.95E+06 2.0 -1310.0 ! KNISPEL 1990
C6H5OH+CH3=C6H5O+CH4 1.81E+11 0.0 7716.0 ! MULCAHY 1965
C6H5OH+H=C6H5O+H2 1.58E+13 0.0 6100.0 ! ARENDS 1993
C6H5OH+O=C6H5O+OH 2.81E+13 0.0 7352.0 ! EMDEE 1992
C6H5OH+C2H3=C2H4+C6H5O 6.00E+12 0.0 0.0 ! EMDEE 1992
C6H5OH+C6H5=C6H6+C6H5O 4.91E+12 0.0 4400.0 ! EMDEE 1992
C-2*4C6H6O+H=C-C5H7+CO 2.51E+13 0.0 4700.0 ! ARENDS 1993
C6H5CH3=C6H5+CH3 1.40E+16 0.0 99800.0 ! EMDEE 1992
C6H5CH3+O2=C6H5CH2+HO2 2.00E+12 0.0 39080.0 ! INGRAM 1994
C6H5CH3+OH=C6H5CH2+H2O 1.26E+13 0.0 2583.0 ! EMDEE 1992
C6H5CH3+O=C6H5CH2+OH 5.00E+08 1.5 8000.0 ! EMDEE 1992
C6H5CH3+H=C6H5CH2+H2 3.98E+02 3.44 3120.0 ! EMDEE 1992
C6H5CH3+H=C6H6+CH3 1.20E+13 0.0 5148.0 ! EMDEE 1992
C6H5CH3+O=OC6H4CH3+H 1.63E+13 0.0 3418.0 ! EMDEE 1992
C6H5CH3+CH3=CH4+C6H5CH2 3.16E+11 0.0 9500.0 ! EMDEE 1992
C6H5CH3+C6H5=C6H6+C6H5CH2 2.10E+12 0.0 4400.0 ! EMDEE 1992
C6H5CH2+H=C6H5CH3 1.80E+14 0.0 0.0 ! EMDEE 1992
C6H5CH2+C6H5OH=C6H5O+C6H5CH3 1.05E+11 0.0 9500.0 ! EMDEE 1992
C6H5CH2+HOC6H4CH3=OC6H4CH3+C6H5CH3 1.05E+11 0.0 9500.0 ! EMDEE 1992
C6H5CH2+O=C6H5CHO+H 2.50E+14 0.0 0.0 ! EMDEE 1992
C6H5CH2+O=C6H5+CH2O 8.00E+13 0.0 0.0 ! EMDEE 1992
C6H5CH2+HO2=C6H5CHO+H+OH 2.50E+14 0.0 0.0 ! EMDEE 1992
C6H5CH2+HO2=C6H5+CH2O+OH 8.00E+13 0.0 0.0 ! EMDEE 1992
C6H5CH2+CH3=C6H5C2H5 1.19E+13 0.0 221.0 ! BRAND 1990
C6H5CH2+H2CCCH=C10H10 1.00E+10 0.0 0.0 ! (ZZ)
C6H5CH2+C2H2=INDENE+H 3.20E+11 0.0 7000.0 ! (AAA)
C6H5CH2+C6H5CHO=C6H5CH3+C6H5CO 2.77E+03 2.81 5773.0 ! EMDEE 1992
C6H5CH2+OH=C6H5CH2OH 6.00E+13 0.0 0.0 ! EMDEE 1992
C6H5CH2OH+OH=C6H5CHO+H2O+H 8.43E+12 0.0 2583.0 ! EMDEE 1992
C6H5CH2OH+H=C6H5CHO+H2+H 8.00E+13 0.0 8235.0 ! EMDEE 1992
C6H5CH2OH+H=C6H6+CH2OH 1.20E+13 0.0 5148.0 ! EMDEE 1992
C6H5CH2OH+C6H5CH2=C6H5CHO+C6H5CH3+H 2.11E+11 0.0 9500. ! EMDEE92
C6H5CH2OH+C6H5=C6H5CHO+C6H6+H 1.40E+12 0.0 4400.0 ! EMDEE 1992
C6H5CHO+O2=C6H5CO+HO2 1.02E+13 0.0 38950.0 ! EMDEE 1992
C6H5CHO+OH=C6H5CO+H2O 1.71E+09 1.18 -447.0 ! EMDEE 1992
C6H5CHO+H=C6H5CO+H2 5.00E+13 0.0 4928.0 ! EMDEE 1992
C6H5CHO+H=C6H5+CH2O 2.00E+13 0.0 2000.0 ! (R)
C6H5CHO+H=C6H6+HCO 1.20E+13 0.0 5148.0 ! EMDEE 1992
C6H5CHO+O=C6H5CO+OH 9.04E+12 0.0 3080.0 ! EMDEE 1992
C6H5CHO+CH3=CH4+C6H5CO 2.77E+03 2.81 5773.0 ! EMDEE 1992
C6H5CHO+C6H5=C6H6+C6H5CO 7.01E+11 0.0 4400.0 ! EMDEE 1992
C6H5CO=C6H5+CO 3.98E+14 0.0 29400.0 ! EMDEE 1992
OC6H4CH3+H=HOC6H4CH3 2.50E+14 0.0 0.0 ! EMDEE 1992
OC6H4CH3=C6H6+H+CO 2.51E+11 0.0 43900.0 ! EMDEE 1992
HOC6H4CH3+OH=OC6H4CH3+H2O 6.00E+12 0.0 0.0 ! EMDEE 1992
HOC6H4CH3+H=OC6H4CH3+H2 1.15E+14 0.0 12400.0 ! EMDEE 1992
HOC6H4CH3+H=C6H5CH3+OH 2.21E+13 0.0 7910.0 ! EMDEE 1992
HOC6H4CH3+H=C6H5OH+CH3 1.20E+13 0.0 5148.0 ! EMDEE 1992
C6H5C2H5+OH=C6H5C2H3+H2O+H 8.43E+12 0.0 2583. ! EMDEE 1992
C6H5C2H5+H=C6H5C2H3+H2+H 8.00E+13 0.0 8235.0 ! EMDEE 1992
C6H5C2H3+OH=C6H4C2H3+H2O 1.63E+08 1.42 1454.0 ! MARINOV 1996
C6H5C2H3+H=C6H4C2H3+H2 3.03E+02 3.3 5690.0 ! MARINOV 1996
C6H5C2H3+OH=C6H5CCH2+H2O 1.00E+07 2.0 2000.0 ! MARINOV 1996
C6H5C2H3+H=C6H5CCH2+H2 2.00E+07 2.0 6000.0 ! MARINOV 1996
C6H5CHCH+H=C6H5CCH2+H 1.00E+14 0.0 0.0 ! MARINOV 1996
C6H5CCH2+OH=C6H5C2H+H2O 2.00E+13 0.0 0.0 ! MARINOV 1996
C6H5CCH2+H=C6H5C2H+H2 5.00E+13 0.0 0.0 ! MARINOV 1996
C6H5C2H+O=C6H5CCO+H 4.80E+09 1.0 0.0 ! (BBB)
C6H5CCO+O2=C6H5CO+CO2 1.00E+12 0.0 0.0 ! (CCC)
C6H5C2H+OH=C6H4C2H+H2O 1.63E+08 1.42 1454.0 ! MARINOV 1996
C6H5C2H+H=C6H4C2H+H2 3.03E+02 3.3 5690.0 ! MARINOV 1996
C6H5C2H+CH3=C6H4C2H+CH4 1.67E+12 0.0 15057.0 ! MARINOV 1996
C6H4C2H+C2H2=C10H7 1.068E+04 2.324 -657.3 !TOTAL WANG 94
C6H4C2H3+CH3=INDENE+H+H 2.00E+13 0.0 0.0 ! (EEE)
CH3C6H4CH3+OH=CH3C6H4CH2+H2O 2.95E+13 0.0 2623.0 ! MARINOV 1996
CH3C6H4CH3+O=CH3C6H4CH2+OH 5.00E+08 1.5 8000.0 ! MARINOV 1996
CH3C6H4CH3+H=CH3C6H4CH2+H2 3.98E+02 3.44 3120.0 ! MARINOV 1996
CH3C6H4CH2+C2H2=C10H10+H 3.20E+11 0.0 7000.0 ! MARINOV 1996
CH3C6H4CH2+C2H2=CH3INDENE+H 3.20E+11 0.0 7000.0 ! MARINOV 1996
CH3C6H4CH2+H=CH3C6H4CH3 7.46E+13 0.0 78.0 ! BRAND 1990
CH3C6H4CH2+CH3=CH3C6H4C2H5 6.00E+12 0.0 221.0 ! MARINOV 1996
INDENE+OH=INDENYL+H2O 3.43E+09 1.18 -447.0 ! MARINOV 1996
INDENE+O=INDENYL+OH 1.81E+13 0.0 3080.0 ! MARINOV 1996
INDENE+H=INDENYL+H2 2.19E+08 1.77 3000.0 ! MARINOV 1996
INDENYL+H=INDENE 2.00E+14 0.0 0.0 ! MARINOV 1996
INDENYL+O=C6H5CHCH+CO 1.00E+14 0.0 0.0 ! MARINOV 1996
INDENYL+HO2=C6H5CHCH+CO+OH 1.00E+13 0.0 0.0 ! MARINOV 1996
INDENYL+C-C5H5=PHNTHRN+H+H 1.00E+13 0.0 8000.0 ! MARINOV 1998
CH3C6H4C2H5+OH=CH3C6H4C2H3+H2O+H 8.43E+12 0.0 2583.0 ! MARINOV 1996
CH3C6H4C2H5+H=CH3C6H4C2H3+H2+H 8.00E+13 0.0 8235.0 ! MARINOV 1996
CH3C6H4C2H3+OH=INDENE+H+H2O 1.26E+13 0.0 2583.0 ! MARINOV 1996
CH3C6H4C2H3+H=INDENE+H+H2 3.98E+02 3.44 3120.0 ! MARINOV 1996
CH3INDENE+OH=CH3INDENYL+H2O 3.43E+09 1.18 -447.0 ! MARINOV 1996
CH3INDENE+O=CH3INDENYL+OH 1.81E+13 0.0 3080.0 ! MARINOV 1996
CH3INDENE+H=CH3INDENYL+H2 2.19E+08 1.77 3000.0 ! MARINOV 1996
CH3INDENE+H=INDENE+CH3 1.20E+13 0.0 5200.0 ! MARINOV 1996
CH3INDENYL+H=CH3INDENE 2.00E+14 0.0 0.0 ! MARINOV 1996
CH3INDENYL+C-C5H5=CH3PHNTHRN+H+H 1.00E+13 0.0 8000.0 ! MARINOV 1998
C10H10+OH=C10H9+H2O 5.00E+06 2.0 0.0 ! MARINOV 1996
C10H10+O=C10H9+OH 7.00E+11 0.7 6000.0 ! MARINOV 1996
C10H10+H=C10H9+H2 2.00E+05 2.5 2500.0 ! MARINOV 1996
C10H9+H=C10H10 1.00E+14 0.0 0.0 ! MARINOV 1996
C10H8+H=C10H9 5.00E+14 0.0 5000.0 ! SAUER 1970
C10H8+OH=C10H7+H2O 2.44E+08 1.42 1454.0 ! MARINOV 1996
C10H8+OH=C10H7OH+H 9.00E+12 0.0 10592.0 ! MARINOV 1996
C10H8+O=C10H7O+H 1.40E+13 0.0 1792.0 ! FRERICHS 1990
C10H8+H=C10H7+H2 4.55E+02 3.3 5690.0 ! MARINOV 1996
C10H7+H=C10H8 1.00E+14 0.0 0.0 ! MARINOV 1996
C10H7+O2=C10H7O+O 1.00E+13 0.0 0.0 ! (FFF)
C10H7+OH=C10H7O+H 5.00E+13 0.0 0.0 ! MARINOV 1996
C10H7+CH3=C10H7CH2+H 2.00E+13 0.0 0.0 ! (EEE)
C10H7+C2H2=ACENPHTHLN+H 1.00E+20 -2.08 12000.0 ! WANG 1994
C10H7+C2H2=C10H7CCH+H 1.17E-7 5.248 -9482.0 ! TOTAL WANG 1994
C10H7+C6H5=FLRNTHN+H+H 5.00E+12 0.0 0.0 ! (GGG)
C10H7+C6H6=FLRNTHN+H+H2 4.00E+11 0.0 4000.0 ! (HHH)
C10H7O+H=C10H7OH 1.00E+14 0.0 0.0 ! MARINOV 1996
C10H7OH+OH=C10H7O+H2O 2.95E+06 2.0 -1312.0 ! MARINOV 1996
C10H7OH+H=C10H7O+H2 1.58E+13 0.0 6100.0 ! MARINOV 1996
C10H7O=INDENYL+CO 7.40E+11 0.0 43850.0 ! MARINOV 1996
C10H7CH3+OH=C10H7CH2+H2O 1.27E+13 0.0 2583.0 ! MARINOV 1996
C10H7CH3+O=C10H7CH2+OH 5.00E+08 1.5 8000.0 ! MARINOV 1996
C10H7CH3+H=C10H7CH2+H2 3.98E+02 3.44 3120.0 ! MARINOV 1996
C10H7CH3+H=C10H8+CH3 1.20E+13 0.0 5148.0 ! MARINOV 1996
C10H7CH2+H=C10H7CH3 1.00E+14 0.0 0.0 ! MARINOV 1996
C10H7CH2+O=C10H7+CH2O 1.00E+14 0.0 0.0 ! MARINOV 1996
C10H7CH2+HO2=>C10H7+CH2O+OH 1.00E+13 0.0 0.0 ! MARINOV 1996
C10H7CH2+C2H2=BZ(A)NDENE+H 3.20E+11 0.0 7000.0 ! MARINOV 1996
C10H7CH2+CH3=C10H7C2H5 1.19E+13 0.0 221.0 ! MARINOV 1996
C10H7C2H5+OH=C10H7C2H3+H2O+H 8.44E+12 0.0 2583.0 ! MARINOV 1996
C10H7C2H5+H=C10H7C2H3+H2+H 8.00E+13 0.0 8235.0 ! MARINOV 1996
C10H7C2H3+OH=C10H7CCH2+H2O 1.00E+07 2.0 2000.0 ! MARINOV 1996
C10H7C2H3+H=C10H7CCH2+H2 2.00E+07 2.0 6000.0 ! MARINOV 1996
C10H7CCH2+OH=C10H7CCH+H2O 2.00E+13 0.0 0.0 ! MARINOV 1996
C10H7CCH2+H=C10H7CCH+H2 5.00E+13 0.0 0.0 ! MARINOV 1996
C10H7CCH+OH=C10H6CCH+H2O 1.63E+08 1.42 1454.0 ! MARINOV 1996
C10H7CCH+H=C10H6CCH+H2 3.03E+02 3.3 5690.0 ! MARINOV 1996
C10H7CCH+H=ACENPHTHLN+H 8.459E+21 -2.614 7062.6 !TOTAL WANG 1994
C10H6CCH+C2H2=PHNTHRYL-1 1.068E+04 2.324 -657.3 ! TOTAL WANG 1994
FLUORENE+OH=FLUORYL+H2O 3.43E+09 1.18 -447.0 ! MARINOV 1996
FLUORENE+O=FLUORYL+OH 1.81E+13 0.0 3080.0 ! MARINOV 1996
FLUORENE+H=FLUORYL+H2 2.19E+08 1.77 3000.0 ! MARINOV 1996
FLUORYL+H=FLUORENE 2.00E+14 0.0 0.0 ! MARINOV 1996
BZ(A)NDNYL+H=BZ(A)NDENE 2.00E+14 0.0 0.0 ! MARINOV 1996
BZ(A)NDENE+OH=BZ(A)NDNYL+H2O 3.43E+09 1.18 -447.0 ! MARINOV 1996
BZ(A)NDENE+O=BZ(A)NDNYL+OH 1.81E+13 0.0 3080.0 ! MARINOV 1996
BZ(A)NDENE+H=BZ(A)NDNYL+H2 2.19E+08 1.77 3000.0 ! MARINOV 1996
BZ(A)NDNYL+C-C5H5=BZ(A)PHNTHRN+H+H 1.00E+13 0.0 8000.0 ! NMM 1996
PHNTHRN+OH=PHNTHRYL-1+H2O 2.17E+08 1.42 1454.0 ! MARINOV 1996
PHNTHRN+OH=PHNTHRYL-9+H2O 5.43E+07 1.42 1454.0 ! MARINOV 1996
PHNTHRN+OH=PHNTHROL-1+H 9.00E+12 0.0 10592.0 ! MARINOV 1996
PHNTHRN+OH=PHNTHROL-9+H 9.00E+12 0.0 10592.0 ! MARINOV 1996
PHNTHRN+H=PHNTHRYL-1+H2 4.04E+02 3.3 5690.0 ! MARINOV 1996
PHNTHRN+H=PHNTHRYL-9+H2 1.01E+02 3.3 5690.0 ! MARINOV 1996
ANTHRACN=PHNTHRN 8.00E+12 0.0 65000.0 ! COLKET 1994
PHNTHRYL-1+H=PHNTHRN 8.00E+13 0.0 0.0 ! MARINOV 1996
PHNTHRYL-9+H=PHNTHRN 8.00E+13 0.0 0.0 ! MARINOV 1996
PHNTHRYL-1+O2= PHNTHROXY-1+O 1.00E+13 0.0 0.0 ! (FFF)
PHNTHRYL-9+O2= PHNTHROXY-9+O 1.00E+13 0.0 0.0 ! (FFF)
PHNTHROL-1+OH=PHNTHROXY-1+H2O 2.95E+06 2.0 -1310.0 ! MARINOV 1996
PHNTHROL-1+H=PHNTHROXY-1+H2 1.59E+13 0.0 6100.0 ! MARINOV 1996
PHNTHROXY-1+H=PHNTHROL-1 1.00E+14 0.0 0.0 ! MARINOV 1996
PHNTHROL-9+OH=PHNTHROXY-9+H2O 2.95E+06 2.0 -1310.0 ! MARINOV 1996
PHNTHROL-9+H=PHNTHROXY-9+H2 1.59E+13 0.0 6100.0 ! MARINOV 1996
PHNTHROXY-9+H=PHNTHROL-9 1.00E+14 0.0 0.0 ! MARINOV 1996
PHNTHROXY-1=BZ(A)NDNYL+CO 7.40E+11 0.0 43850.0 ! MARINOV 1996
PHNTHROXY-9=FLUORYL+CO 7.40E+11 0.0 43850.0 ! MARINOV 1996
PHNTHRYL-1+C2H2=PYRENE+H 3.492E+10 0.557 5658.0 ! TOTAL WANG 1996
PHNTHRYL-1+CH3=HC4-P(DEF)PTHN+H+H 2.00E+13 0.0 0.0 ! (EEE)
CH3PHNTHRN+OH=HC4-P(DEF)PTHN+H2O+H 1.27E+13 0.0 2583.0 ! NMM 1996
CH3PHNTHRN+H=HC4-P(DEF)PTHN+H2+H 3.98E+02 3.44 3120.0 ! NMM 1996
CH3PHNTHRN+H=PHNTHRN+CH3 1.20E+13 0.0 5148.0 !MARINOV1996
HC4-P(DEF)PTHN+OH=HC4-P(DEF)PTHYL+H2O 3.43E+09 1.18 -447.0 !NMM96
HC4-P(DEF)PTHN+O=HC4-P(DEF)PTHYL+OH 1.81E+13 0.0 3080.0 !NMM96
HC4-P(DEF)PTHN+H=HC4-P(DEF)PTHYL+H2 2.19E+08 1.77 3000.0 !NMM96
HC4-P(DEF)PTHYL+H=HC4-P(DEF)PTHN 2.00E+14 0.0 0.0 !MARINOV 1996
BZ(A)PHNTHRN+H=BZ(GHI)FLN+H2+H 3.03E+02 3.3 5690.0 !MARINOV 1996
BZ(A)PHNTHRN+OH=BZ(GHI)FLN+H2O+H 1.63E+08 1.42 1454.0 !MARINOV 1996
H2CCCH+CH2=CH2CHCCH+H 4.00E+13 0.0 0.0 !MILLER 1992
C-C5H5+CH3=CH3CY24PD 1.76E+50 -11.0 18600. !RITTER 1990
CH3CY24PD+H=C-C5H6+CH3 1.00E+13 0.0 1300.0 !RITTER 1990
C6H6+H=CH3CY24PD1 2.39E+27 -3.92 29200. !RITTER 1990
CYC6H7=CH3CY24PD1 5.00E+12 0.0 38100. !RITTER 1990
CH3CY24PD1+H=CH3CY24PD 1.00E+14 0.0 0.0 !MARINOV 1998
CH3CY24PD1+H=C-C5H5+CH3 1.00E+14 0.0 0.0 !MARINOV 1998
CYC6H7=CH3DCY24PD 5.50E+10 0.0 23500. !RITTER 1990
C6H6+H=CYC6H7 4.87E+56 -12.73 26800. !RITTER 1990
CH3DCY24PD+H2=CH3CY24PD+H 4.00E+12 0.0 15000. !RITTER 1990
FULVENE=C6H6 9.84E+37 -7.4 76979. !SHANDROSS1996
FULVENE+H=C6H6+H 3.00E+12 0.5 2000.0 !MARINOV 1998
FULVENE+H=FULVENYL+H2 3.03E+2 3.3 5690. !MARINOV 1998
FULVENE+OH=FULVENYL+H2O 1.63E+8 1.42 1454. !MARINOV 1998
FULVENYL+H=C6H5+H 1.00E+14 0.0 0.0 !MARINOV 1998
FULVENYL+O2=C-C5H4O+HCO 1.00E+12 0.0 0.0 !MARINOV 1998
END
|
|
|
chemkinToFoam could handle the entire CHEMKIN II format at the time it was written but it has not been developed any further and there may be some features of recent CHEMKIN files which are not yet supported and further development may be required for which we will need to secure funding. |
|
|
Pending funding |
| Date Modified | Username | Field | Change |
|---|---|---|---|
| 2020-02-09 19:27 | pattim | New Issue | |
| 2020-02-09 19:27 | pattim | File Added: nbutane_mech.txt | |
| 2020-02-09 19:27 | pattim | File Added: nbutane_thermo.txt | |
| 2020-02-09 19:27 | pattim | File Added: nbutane_transport.txt | |
| 2020-02-09 19:52 | pattim | File Added: nbutane_thermo_uppercase.txt | |
| 2020-02-09 19:52 | pattim | File Added: nbutane_mech_uppercase.txt | |
| 2020-02-09 19:52 | pattim | Note Added: 0011166 | |
| 2020-02-09 20:28 | henry | Note Added: 0011167 | |
| 2020-02-09 20:28 | henry | Severity | major => minor |
| 2020-02-11 17:14 | henry | Assigned To | => henry |
| 2020-02-11 17:14 | henry | Status | new => closed |
| 2020-02-11 17:14 | henry | Resolution | open => suspended |
| 2020-02-11 17:14 | henry | Note Added: 0011169 |
