ELEMENTS
  C  H  O  N AR HE
END
SPECIES
AR
HE
N2
H
O
OH
H2
O2
HO2
H2O2
CO
CO2
HCO
OH*
H2O 
END
REACTIONS
!--------------------------H2-O2  MECHANISM-------------------------------------
!R1
O2+H=OH+O                                       1.800E+14   -0.097  1.503E+04 ! Baulch 2005 !A/2.065E+14 /1.800E+14 !Error limit (+/-0.1-0.2) 800-3500 K
!R2
O+H2=H+OH                                       3.000E+12    0.00   7.963E+03 ! 3.817E+12(I)/Baulch et. Al. 2005 !Error limit(+/-0.2) 
 DUPLICATE
O+H2=H+OH                                       8.000E+14    0.00   1.918E+04 ! Error limit(+/-0.2)A/8.792E+14 
 DUPLICATE 
!R3
 OH+H2=H+H2O                                     2.167E+08    1.52   3.460E+03 ! Baulch et. al. 2005 ! error limit(+/-0.1)250K -(+/-0.3)2500K
!R4
 OH+OH=H2O+O                                     4.000E+04    2.42  -1.928E+03 ! 3.3480E+4/Baulch et. al. 2005/(250-2400 K) e (+/-0.15)
!R5
 H+H+M=H2+M                                      2.300E+18   -1.00   0.000E+00 ! ko=6.527E+17 (Ar)! Baulch 2005 200-2500K  e (+/-0.5) 
 H2/1.0/H2O/6.40/CO2/1.50/O2/0.45/N2/0.40/AR/0.35/HE/0.35/CO/0.75/ !CH4/3.0/     ! Griffith & Barnard 
!R6
 O+O+M=O2+M                                      2.900E+17   -1.00   0.000E+00 ! (I) 2.900E+17/N. Peters 1992
 H2/1.0/H2O/6.40/CO2/1.50/O2/0.45/N2/0.40/AR/0.35/HE/0.35/CO/0.75/ !CH4/3.0/     ! Griffith & Barnard
!R7! This reaction is not included in Baulch et al. 2005 work. 
 O+H+M=OH+M                                      9.436E+18   -1.00   0.000E+00 ! 4.714E+18/Varga 2016/ Hong 2010 /9.420E+18;Li /6.750E+18;Alekseev 2015 
 H2/1.0/H2O/6.40/CO2/1.50/O2/0.45/N2/0.40/AR/0.35/HE/0.35/CO/0.75/ !CH4/3.0/     ! Griffith & Barnard  (N2) scaling for third body efficiency
!R8
 H+OH+M=H2O+M                                    4.000E+22   -2.00   0.000E+00 ! 2.212E+22/Baulch et. Al. 2005, ko(N2) ,300-3000, Error limit (+/-0.5) 
 H2/1.0/H2O/6.40/CO2/1.50/O2/0.45/N2/0.40/AR/0.35/HE/0.35/CO/0.75/ !CH4/3.0/     ! Griffith & Barnard
!R9
 H+O2(+M)=HO2(+M)                                5.590E+13    0.20   0.000E+00 ! Hong 2010 
 LOW / 3.500E+19    -1.300       0.000E+00/
 TROE /0.70 1.0E-30 1.0E+30 1.0E+30/
 H2/2.5/ H2O/0.00/ H2O2/12.0/ AR/0.00/ O2/0.00/
 H+O2(+AR)=HO2(+AR)                              5.590E+13    0.20   0.000E+00 ! Hong 2010 
 LOW / 6.810E+18    -1.200       0.000E+00/
 TROE /0.70 1.0E-30 1.0E+30 1.0E+30/
 H+O2(+O2)=HO2(+O2)                              5.590E+13    0.20   0.000E+00 ! Hong 2010
 LOW /5.690E+18    -1.100       0.000E+00/
 TROE /0.70 1.0E-30 1.0E+30 1.0E+30/
 H+O2(+H2O)=HO2(+H2O)                            5.590E+13    0.20   0.000E+00 ! Hong 2010
 LOW /3.700E+19    -1.000       0.000E+00/ 
 TROE /0.80 1.0E-30 1.0E+30 1.0E+30/
!R10
 H+HO2=H2+O2                                     4.660E+06    2.087 -1.450E+03 ! 3.660E+06/(4.660E+06)Hong 2010 : J.V. Michael et al. 2000 (Kr) : rate constant is calculated by using the equilibrium constant from same author 
!R11
 H+HO2=OH+OH                                     7.080E+13    0.00   3.000E+02 ! 7.080E+13/Alekseev 2015 /Hong 2010/Li 2004/Conaire 2004/ Burke 2012 :MUELLER ET. AL.Inc. Int J ChemKinet 31: 113???125, 1999
!R12
 O+HO2=OH+O2                                     1.630E+13    0.00  -4.452E+02 ! Baulch 2005 ! e (+/-0.1;220K -+/-0.5; 1000K) 
!R12b
 O+OH+M=HO2+M                                    1.600E+16    0.00   0.000E+00 ! UC Sandiego ( original value: 8.000E+15)
 H2/1.0/H2O/6.40/CO2/1.50/O2/0.45/N2/0.40/AR/0.35/HE/0.35/CO/0.75/ !CH4/3.0/     ! Griffith & Barnard
!R12c
 H2+O2=OH+OH                                     1.700E+13    0.00   4.778E+04 ! Dayma 2006: Miller, J.A. and Kee, R.J. (1977)
!R13
 HO2+OH=H2O+O2                                   7.000E+12    0.00  -1.093E+03 ! Alekseev 2015 / UC SanDiego 2014 / Hong 2013
 DUPLICATE
 HO2+OH=H2O+O2                                   4.500E+14    0.00   1.093E+04 ! Hong 2013 
 DUPLICATE
!R14
 HO2+HO2=H2O2+O2                                 4.220E+14    0.00   1.198E+04 ! Baulch 2005 using Hippler 1990 
 DUPLICATE                                                                     ! 550-1250 K; e (+/-0.15; 550-800 K) - e (+/-0.4; 1250 K) 
 HO2+HO2=H2O2+O2                                 1.320E+11    0.00  -1.630E+03 ! Hong 2011
 DUPLICATE
!R15
 H2O2(+M)=OH+OH(+M)                              2.000E+12    0.90   4.877E+04 ! Troe 2011 : Theoretical study ; Combustion and Flame 158 (2011) 594-601. 
 LOW /3.660E+24   -2.3   4.877E+04 /                                           ! given; k0(Ar)=2.490E+24 cm6 mol-2 s-1 ! scaling; k0(N2) = k0(Ar)*(1/0.68)=3.660E+24
 TROE /0.43   1E-30   1E+30/
 H2O/5.1/H2O2/5.2/H2/2.5/O2/0.79/N2/1.0/AR/0.68/HE/0.44/CO2/1.06/CO/0.53/      ! CO efficiency 1/2 of CO2 / H2 efficiency (1/0.4) evaluated from above used efficiency
!R16
 H2O2+H=H2O+OH                                   1.023E+13    0.00   3.586E+03 ! 1.020E+13/Baulch et. Al. 2005 (300-1000 K) e (+/-0.3) 
!R17 
 H2O2+H=HO2+H2                                   1.210E+07    2.00   5.200E+03 ! 1.210E+07/(2.210E+07)Hong 2010 
!R18
 H2O2+O=OH+HO2                                   9.630E+06    2.00   3.993E+03 ! UC SanDiego 2014 / Li 2015 /Tsang 1986: Uncertainty factor 3 ; 300-2500 K 
!R19
 H2O2+OH=H2O+HO2                                 1.740E+12    0.00   3.180E+02 ! Hong 2010; J.Phys.Chem. A 114(2010)5718-5727. (280<T<1640K)
 DUPLICATE
 H2O2+OH=H2O+HO2                                 7.590E+13    0.00   7.269E+03 !
 DUPLICATE
!R19b
 H2O2+O=H2O+O2                                   8.430E+11    0.00   3.976E+03 ! Baulch 2005 283-500 K 
!R19c
 H2O+O=H2+O2                                     1.070E+10    0.97   6.870E+04 ! Burke 2012 [54]: Karkach 1999 [54] 
!-----------------------CO/CO2 MECHANISM---------------------------------------
!R20
 CO+O(+M)=CO2(+M)                                1.800E+10    0.00   2.384E+03 ! 1.800E+10/Davis 2005 /Konnov 2008/Goswami 2014 : Troe, J phys chem 1975, 83, 114
 LOW/ 1.550E+24   -2.79  4.185E+03  /                                          ! Davis 2005:1.550E+24/ Muller 1999: 1.350E+24 : Westmoreland et al. AIChE J. 32(1986)1971-1979
 H2/1.0/H2O/6.40/CO2/1.50/O2/0.45/N2/0.40/AR/0.35/HE/0.35/CO/0.75/             ! Griffith & Barnard ! this reaction taken from Davis and using our efficiency and calibrating it
!R21
 CO+O2=CO2+O                                     2.500E+12    0.00   4.782E+04 ! J. Warnatz 2006 / A.Frassoldati 2007/ Davis 2005 : Tsang 1986
!R22
 CO+OH=CO2+H                                     1.000E+13    0.00   1.600E+04 ! A/1.0E+13/J. Warnatz 2006 / ! error limit (+/-0.1) 
 DUPLICATE
 CO+OH=CO2+H                                     9.000E+10    0.00   5.978E+01 ! A/1.01E+11 / error limit (+/-0.1)
 DUPLICATE
 CO+OH=CO2+H                                     9.030E+11    0.00   4.567E+03 ! A/9.03E+11 / error limit (+/-0.1)
 DUPLICATE
!R23
 CO+HO2=CO2+OH                                   1.570E+05    2.18   1.794E+04 ! Li 2015 
!R24
 HCO(+M)=H+CO(+M)                                4.930E+16   -0.93   1.973E+04 ! Varga 2016 
 LOW /4.942E+10    0.959      1.467E+04  /
 TROE /8.52E-01  5.14E+01  3.57E+03  3.42E+03 /
 H2/2/ O2/1/ AR/0.55/ HE/0.786/ H2O/12/ CO/1.5/ CO2/2/
!R26
 HCO+O2=CO+HO2                                   3.000E+10    0.68  -4.691E+02 ! Baulch 2005 ! error limit(+/-0.15 - 0.5) ! A/2.71E+10 /4,0 ; 200-2500 K
!R27
 HCO+H=CO+H2                                     7.00E+13     0.00   0.000E+00 ! Baulch 2005 ! error limit(+/-0.3) ! A/9.03E+13(1st);298-2500K 
!R28
 HCO+O=CO+OH                                     3.01E+13     0.00   0.000E+00 ! Baulch et. Al. 2005 ! A/3.01E+13(1.010E+13[I]) ! error limit (+/-0.3); 300-2500 K
!R29
 HCO+O=CO2+H                                     3.01E+13     0.00   0.000E+00 ! Baulch et. Al. 2005 ! A/3.01E+13 !error limit (+/-0.3); 300-2500 K
!R30
 HCO+OH=CO+H2O                                   1.080E+14    0.00   0.000E+00 ! Baulch et. Al. 2005 ! A/ 1.080E+14(1st) ! error limit (+/-0.3) (II); 296-2500 K
!R31
 HCO+HO2=>CO2+H+OH                               3.00E+13     0.00   0.000E+00 ! Konnov 2008 / Tsang and Hampson 1986 / Vagra 2016 
!R32
 HCO+HCO=>H2+CO+CO                               3.00E+12     0.00   0.000E+00 ! Baulch 2005 / Konnov 2008 / Sun 2007 / Vagra 2016 
!R36
 HCO+HO2=H2O2+CO                                 3.00E+12     0.00   0.000E+00 ! Konnov 2008 / Tsang and Hampson 1986 
!----------- Chemiluminescence mechanism ---------------- OH* MECHANISM ---------
 H+O+M=OH*+M                                     1.500E+13    0.00   5.975E+03  ! T. Kathrotia  2010 
 H2/1.0/H2O/6.40/CO2/1.50/O2/0.45/N2/0.40/AR/0.35/HE/0.35/CO/0.75/ !CH4/3.0/      ! Griffith & Barnard
 HCO+O=OH*+CO                                    2.890E+11    0.00   4.609E+02  ! T.Kathrotia 2011
 OH*=OH                                          1.450E+06    0.00   0.000E+00  ! T.Kathrotia 2011 
 OH*+O2=OH+O2                                    2.100E+12    0.50  -4.824E+02  ! T.Kathrotia 2011 
 OH*+H2=OH+H2                                    2.950E+12    0.50  -4.543E+02  ! T.Kathrotia 2011 
 OH*+N2=OH+N2                                    1.080E+11    0.50  -1.243E+02  ! T.Kathrotia 2011 
 OH*+Ar=OH+Ar                                    1.690E+12    0.00   4.137E+03  ! T.Kathrotia 2011 
 OH*+H2O=OH+H2O                                  5.930E+12    0.50  -8.608E+02  ! T.Kathrotia 2011 
 OH*+CO2=OH+CO2                                  2.750E+12    0.50  -9.680E+02  ! T.Kathrotia 2011
 OH*+CO=OH+CO                                    3.230E+12    0.50  -7.881E+02  ! T.Kathrotia 2011
 OH*+OH=OH+OH                                    6.010E+12    0.50  -7.652E+02  ! T.Kathrotia 2011 
 OH*+H=OH+H                                      1.310E+12    0.50  -1.674E+02  ! T.Kathrotia 2011
END