!Title: Minimized Skeletal Mechanism for Methyl Butanoate Oxidation and Its Application to the Prediction  
!       of C3-C4 Products in Nonpremixed Flames: A Base Model of Biodiesel Fuels
!Authors: Kuang C. Lin, Hairong Tao, Fan-Hsu Kao, Chuang-Te Chiu
!Energy & Fuels (2016)
!DOI: 10.1021/acs.energyfuels.5b02389
!The detailed MB mechanism was published by S. Dooley, H.J. Curran, J.M. Simmie,  
!Autoignition Measurements and a Validated Kinetic Model for the Biodiesel Surrogate, Methyl Butanoate,
!Combustion and Flame, 153 (2008) 2-32.
ELEMENTS
C H N O AR
END
SPECIES
  H H2 O O2 OH
  H2O N2 HO2 H2O2 CH3OCO
  AR CO CO2 CH2O HCO
  NC3H7 C3H6 HOCHO MB MB2J
  CH3O MB3J CH4 CH3 MB4J
  MBMJ NC3H7CO C2H5 C2H4 C2H3
  ME2J C2H2 MP2D
  CH2CO HCCO BAOJ
  C2H3CO
!------------------------------------------------------
!====Species added or removed in SM-D-V2====
  !Species added:
  C2H6 
  !Species removed: none   
!------------------------------------------------------
!====Species added or removed in SM-D-V3====
  !Species added: none
  !Species removed:
  !CH3CO CH2CHO C2H3CO2 MP2DMJ C2H3O1-2
!------------------------------------------------------
END
REACTIONS
!
!====Reactions added or removed in SM-D-V2====
!Reactions added:
!====Reactions related to C2H6====
C2H6(+M)<=>CH3+CH3(+M) 1.880E+50 -9.72 1.073E+05 !Lowering the formation of CH4====
LOW / 3.7200E+65 -1.3140E+01 1.0158E+05 / 
TROE / 3.9000E-01 1.0000E+02 1.9000E+03 6.0000E+03 / !Troe Fall-off reaction
H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ 
C2H6+H<=>C2H5+H2 5.740E+07 1.96 7.190E+03 !Lowering the formation of CH4====
REV/ 5.300E+03 2.64 9.420E+03 /
C2H6+CH3<=>C2H5+CH4 1.510E-07 6.00 6.047E+03 !Lowering the formation of CH4====
REV/ 1.273E-08 6.24 9.817E+03 /
!====Reactions related to C2H6====
!Reactions removed: none
!------------------------------------------------------
!====Reactions added or removed in SM-D-V3====
!Reactions added: none
!Reactions removed:
!====Reactions related to CH3CO====
!C2H3O1-2<=>CH3CO 8.500E+14 0.00 1.400E+04 !====Unimportant species removed====
!REV/ 1.002E+14 0.04 4.871E+04 /
!CH3CO(+M)<=>CH3+CO(+M) 3.000E+12 0.00 1.672E+04 !====Unimportant species removed====
!REV/ 2.976E+06 1.37 4.049E+03 /
!LOW / 1.2000E+15 0.0000E+00 1.2518E+04 / !Lindemann Fall-off reaction
!CH3CO+H<=>CH2CO+H2 2.000E+13 0.00 0.000E+00 !====Unimportant species removed====
!REV/ 3.841E+15 -0.55 6.073E+04 /
!CH3CO+O<=>CH2CO+OH 2.000E+13 0.00 0.000E+00 !====Unimportant species removed====
!REV/ 2.016E+15 -0.57 5.932E+04 /
!CH3CO+CH3<=>CH2CO+CH4 5.000E+13 0.00 0.000E+00 !====Unimportant species removed====
!REV/ 8.766E+18 -0.99 6.227E+04 /
!====Reactions related to CH3CO====
!====Reactions related to CH2CHO====
!C2H3O1-2<=>CH2CHO 1.000E+14 0.00 1.400E+04 !====Unimportant species removed====
!REV/ 1.245E+15 -0.38 4.401E+04 /
!CH2CHO<=>CH2CO+H 1.098E+13 0.41 5.043E+04 !====Unimportant species removed====
!REV/ 5.000E+13 0.00 1.230E+04 /
!CH2CHO+O2<=>CH2O+CO+OH 2.000E+13 0.00 4.200E+03 !====Unimportant species removed====
!REV/ 0.000E+00 0.00 0.000E+00 /
!C2H4+O<=>CH2CHO+H 4.986E+06 1.88 1.830E+02 !====Unimportant species removed====
!REV/ 1.558E+09 1.20 1.878E+04 /
!C2H3+O2<=>CH2CHO+O 5.500E+14 -0.61 5.260E+03 !====Unimportant species removed====
!REV/ 2.968E+18 -1.38 1.630E+04 /
!MP2D+O<=>CH3OCO+CH2CHO 5.010E+07 1.76 7.600E+01 !====Unimportant species removed====
!REV/ 2.212E+03 2.92 2.263E+04 /
!====Reactions related to CH2CHO====
!====Reactions related to C2H3CO2====
!MP2D<=>C2H3CO2+CH3 3.839E+22 -2.00 8.803E+04 !====Unimportant species removed====
!REV/ 3.000E+13 0.00 0.000E+00 /
!C2H3CO2<=>C2H3+CO2 8.635E+18 -1.74 3.521E+04 !====Unimportant species removed====
!REV/ 1.500E+11 0.00 3.520E+04 /
!====Reactions related to C2H3CO2====
!====Reactions related to MP2DMJ====
!MP2D+H<=>MP2DMJ+H2 1.960E+06 2.40 4.471E+03 !====Unimportant species removed====
!REV/ 1.797E+07 2.16 8.211E+03 /
!MP2D+OH<=>MP2DMJ+H2O 7.020E+07 1.61 -3.500E+01 !====Unimportant species removed====
!REV/ 6.849E+09 1.26 1.860E+04 /
!MP2D+CH3<=>MP2DMJ+CH4 2.265E+00 3.46 5.481E+03 !====Unimportant species removed====
!REV/ 1.896E+04 2.77 1.076E+04 /
!MP2D+HO2<=>MP2DMJ+H2O2 1.446E+04 2.60 1.391E+04 !====Unimportant species removed====
!REV/ 7.675E+07 1.67 1.649E+03 /
!MP2D+O<=>MP2DMJ+OH 8.280E+05 2.45 2.830E+03 !====Unimportant species removed====
!REV/ 3.985E+06 2.19 5.158E+03 /
!MP2DMJ<=>C2H3CO+CH2O 5.752E+23 -2.82 2.354E+04 !====Unimportant species removed====
!REV/ 3.890E+11 0.00 1.090E+04 /
!====Reactions related to MP2DMJ====
!====Reactions related to C2H3O1-2====
!DUP
!C2H3O1-2<=>CH3CO 8.500E+14 0.00 1.400E+04 !====Unimportant species removed====
!REV/ 1.002E+14 0.04 4.871E+04 /
!DUP
!DUP
!C2H3O1-2<=>CH2CHO 1.000E+14 0.00 1.400E+04 !====Unimportant species removed====
!REV/ 1.245E+15 -0.38 4.401E+04 /
!DUP
!====Reactions related to C2H3O1-2====
!------------------------------------------------------
!
H+O2<=>O+OH 3.547E+15 -0.41 1.660E+04
REV/ 1.015E+13 -0.01 -1.330E+02 /
O+H2<=>H+OH 5.080E+04 2.67 6.292E+03
REV/ 2.667E+04 2.65 4.880E+03 /
OH+H2<=>H+H2O 2.160E+08 1.51 3.430E+03
REV/ 2.298E+09 1.40 1.832E+04 /
O+H2O<=>OH+OH 2.970E+06 2.02 1.340E+04
REV/ 1.465E+05 2.11 -2.904E+03 /
H2+M<=>H+H+M 4.577E+19 -1.40 1.044E+05
REV/ 1.146E+20 -1.68 8.200E+02 /
H2/2.5/ H2O/12/ CO/1.9/ CO2/3.8/ 
O2+M<=>O+O+M 4.515E+17 -0.64 1.189E+05
REV/ 6.165E+15 -0.50 0.000E+00 /
H2/2.5/ H2O/12/ AR/.83/ CO/1.9/ CO2/3.8/ CH4/2/         
OH+M<=>O+H+M 9.880E+17 -0.74 1.021E+05
REV/ 4.714E+18 -1.00 0.000E+00 /
H2/2.5/ H2O/12/ AR/.75/ CO/1.5/ CO2/2/ CH4/2/         
H2O+M<=>H+OH+M 1.912E+23 -1.83 1.185E+05
REV/ 4.500E+22 -2.00 0.000E+00 /
H2/.73/ H2O/12/ AR/.38/ CH4/2/       
H+O2(+M)<=>HO2(+M) 1.475E+12 0.60 0.000E+00
LOW / 3.4820E+16 -4.1100E-01 -1.1150E+03 / 
TROE / 5.0000E-01 1.0000E-30 1.0000E+30 1.0000E+10 / !Troe Fall-off reaction
H2/1.3/ H2O/14/ AR/.67/ CO/1.9/ CO2/3.8/ CH4/2/         
HO2+H<=>H2+O2 1.660E+13 0.00 8.230E+02
REV/ 3.164E+12 0.35 5.551E+04 /
HO2+H<=>OH+OH 7.079E+13 0.00 2.950E+02
REV/ 2.027E+10 0.72 3.684E+04 /
HO2+O<=>OH+O2 3.250E+13 0.00 0.000E+00
REV/ 3.252E+12 0.33 5.328E+04 /
HO2+OH<=>H2O+O2 2.890E+13 0.00 -4.970E+02
REV/ 5.861E+13 0.24 6.908E+04 /
H2O2+O2<=>HO2+HO2 4.634E+16 -0.35 5.067E+04
REV/ 4.200E+14 0.00 1.198E+04 /
DUP
H2O2+O2<=>HO2+HO2 1.434E+13 -0.35 3.706E+04
REV/ 1.300E+11 0.00 -1.629E+03 /
DUP
H2O2(+M)<=>OH+OH(+M) 2.951E+14 0.00 4.843E+04
LOW / 1.2020E+17 0.0000E+00 4.5500E+04 / 
TROE / 5.0000E-01 1.0000E-30 1.0000E+30 1.0000E+10 / !Troe Fall-off reaction
H2/2.5/ H2O/12/ AR/.64/ CO/1.9/ CO2/3.8/ CH4/2/         
H2O2+H<=>H2O+OH 2.410E+13 0.00 3.970E+03
REV/ 1.269E+08 1.31 7.141E+04 /
H2O2+H<=>H2+HO2 6.025E+13 0.00 7.950E+03
REV/ 1.041E+11 0.70 2.395E+04 /
H2O2+O<=>OH+HO2 9.550E+06 2.00 3.970E+03
REV/ 8.660E+03 2.68 1.856E+04 /
H2O2+OH<=>H2O+HO2 1.000E+12 0.00 0.000E+00
REV/ 1.838E+10 0.59 3.089E+04 /
DUP
H2O2+OH<=>H2O+HO2 5.800E+14 0.00 9.557E+03
REV/ 1.066E+13 0.59 4.045E+04 /
DUP
CO+O(+M)<=>CO2(+M) 1.800E+10 0.00 2.384E+03
LOW / 1.3500E+24 -2.7880E+00 4.1910E+03 / !Lindemann Fall-off reaction
H2/2/ O2/6/ H2O/6/ AR/.5/ CO/1.5/ CO2/3.5/ CH4/2/         
CO+O2<=>CO2+O 1.050E+12 0.00 4.254E+04
REV/ 7.950E+15 -0.80 5.123E+04 /
CO+OH<=>CO2+H 1.750E+05 1.95 -4.348E+02
REV/ 4.629E+11 0.76 2.499E+04 /
CO+HO2<=>CO2+OH 3.010E+13 0.00 2.300E+04
REV/ 2.280E+16 -0.47 8.497E+04 /
HCO+M<=>H+CO+M 1.860E+17 -1.00 1.700E+04
REV/ 1.403E+16 -0.62 1.670E+03 /
H2/2/ H2O/12/ CO/1.5/ CO2/2/ CH4/2/         
HCO+O2<=>CO+HO2 2.710E+10 0.68 -4.690E+02
REV/ 4.283E+09 0.99 3.307E+04 /
HCO+H<=>CO+H2 7.340E+13 0.00 0.000E+00
REV/ 2.211E+12 0.66 8.823E+04 /
HCO+O<=>CO+OH 3.020E+13 0.00 0.000E+00
REV/ 4.775E+11 0.64 8.682E+04 /
HCO+O<=>CO2+H 3.000E+13 0.00 0.000E+00
REV/ 1.255E+18 -0.55 1.122E+05 /
HCO+OH<=>CO+H2O 1.020E+14 0.00 0.000E+00
REV/ 3.269E+13 0.55 1.031E+05 /
HCO+CH3<=>CH4+CO 2.650E+13 0.00 0.000E+00
REV/ 7.286E+14 0.21 8.977E+04 /
HCO+HO2<=>CH2O+O2 2.499E+14 -0.06 1.392E+04
REV/ 8.070E+15 0.00 5.342E+04 /
HCO+HO2<=>CO2+H+OH 3.000E+13 0.00 0.000E+00
REV/ 0.000E+00 0.00 0.000E+00 /
CH2O+CO<=>HCO+HCO 9.186E+13 0.37 7.304E+04
REV/ 1.800E+13 0.00 0.000E+00 /
HCO+HCO<=>H2+CO+CO 3.000E+12 0.00 0.000E+00
REV/ 0.000E+00 0.00 0.000E+00 /
HCO+H(+M)<=>CH2O(+M) 1.090E+12 0.48 -2.600E+02
LOW / 1.3500E+24 -2.5700E+00 1.4250E+03 / 
TROE / 7.8240E-01 2.7100E+02 2.7550E+03 6.5700E+03 / !Troe Fall-off reaction
H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/         
CO+H2(+M)<=>CH2O(+M) 4.300E+07 1.50 7.960E+04
LOW / 5.0700E+27 -3.4200E+00 8.4348E+04 / 
TROE / 9.3200E-01 1.9700E+02 1.5400E+03 1.0300E+04 / !Troe Fall-off reaction
H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/         
CH2O+OH<=>HCO+H2O 7.820E+07 1.63 -1.055E+03
REV/ 4.911E+06 1.81 2.903E+04 /
CH2O+H<=>HCO+H2 5.740E+07 1.90 2.740E+03
REV/ 3.388E+05 2.19 1.793E+04 /
CH2O+O<=>HCO+OH 6.260E+09 1.15 2.260E+03
REV/ 1.940E+07 1.42 1.604E+04 /
CH2O+CH3<=>HCO+CH4 3.830E+01 3.36 4.312E+03
REV/ 2.063E+02 3.20 2.104E+04 /
CH2O+HO2<=>HCO+H2O2 7.100E-03 4.52 6.580E+03
REV/ 2.426E-02 4.11 5.769E+03 /
HOCHO<=>CO+H2O 2.300E+13 0.00 5.000E+04
REV/ 2.124E+04 2.09 4.242E+04 /
HOCHO<=>CO2+H2 1.500E+16 0.00 5.700E+04
REV/ 2.399E+14 0.46 6.102E+04 /
HOCHO<=>HCO+OH 3.471E+22 -1.54 1.107E+05
REV/ 1.000E+14 0.00 0.000E+00 /
HOCHO+OH<=>H2O+CO2+H 2.620E+06 2.06 9.160E+02
REV/ 0.000E+00 0.00 0.000E+00 /
HOCHO+OH<=>H2O+CO+OH 1.850E+07 1.51 -9.620E+02
REV/ 0.000E+00 0.00 0.000E+00 /
HOCHO+H<=>H2+CO2+H 4.240E+06 2.10 4.868E+03
REV/ 0.000E+00 0.00 0.000E+00 /
HOCHO+H<=>H2+CO+OH 6.030E+13 -0.35 2.988E+03
REV/ 0.000E+00 0.00 0.000E+00 /
HOCHO+CH3<=>CH4+CO+OH 3.900E-07 5.80 2.200E+03
REV/ 0.000E+00 0.00 0.000E+00 /
HOCHO+HO2<=>H2O2+CO+OH 1.000E+12 0.00 1.192E+04
REV/ 0.000E+00 0.00 0.000E+00 /
HOCHO+O<=>CO+OH+OH 1.770E+18 -1.90 2.975E+03
REV/ 0.000E+00 0.00 0.000E+00 /
CH3O(+M)<=>CH2O+H(+M) 6.800E+13 0.00 2.617E+04
LOW / 1.8670E+25 -3.0000E+00 2.4307E+04 / 
TROE / 9.0000E-01 2.5000E+03 1.3000E+03 1.0000E+99 / !Troe Fall-off reaction
H2/2/ H2O/6/ CO/1.5/ CO2/2/ CH4/2/         
CH3O+O2<=>CH2O+HO2 4.380E-19 9.50 -5.501E+03
REV/ 1.416E-20 9.82 2.108E+04 /
CH3O+CH3<=>CH2O+CH4 1.200E+13 0.00 0.000E+00
REV/ 6.749E+13 0.22 8.281E+04 /
CH3O+H<=>CH2O+H2 2.000E+13 0.00 0.000E+00
REV/ 1.232E+11 0.66 8.127E+04 /
CH3O+HO2<=>CH2O+H2O2 3.010E+11 0.00 0.000E+00
REV/ 1.074E+12 -0.03 6.527E+04 /
CH3+H(+M)<=>CH4(+M) 2.108E+14 0.00 0.000E+00
LOW / 3.1650E+23 -1.8000E+00 0.0000E+00 / 
TROE / 3.7000E-01 3.3150E+03 6.1000E+01 1.0000E+99 / !Troe Fall-off reaction
H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/         
CH4+H<=>CH3+H2 6.140E+05 2.50 9.587E+03
REV/ 6.727E+02 2.95 8.047E+03 /
CH4+OH<=>CH3+H2O 5.830E+04 2.60 2.190E+03
REV/ 6.796E+02 2.94 1.554E+04 /
CH4+O<=>CH3+OH 4.396E+05 2.50 6.577E+03
REV/ 2.528E+02 2.93 3.625E+03 /
CH4+HO2<=>CH3+H2O2 6.776E+04 2.50 2.100E+04
REV/ 4.297E+04 2.25 3.462E+03 /
CH3+OH<=>CH2O+H2 3.190E+09 0.00 5.027E+03
REV/ 4.249E+11 -0.18 7.499E+04 /
CH3+OH<=>CH3O+H 7.226E+11 0.00 5.484E+03
REV/ 1.562E+16 -0.84 -5.821E+03 /
CH3+HO2<=>CH3O+OH 1.500E+13 0.00 0.000E+00
REV/ 9.284E+13 -0.12 2.524E+04 /
CH3+HO2<=>CH4+O2 3.610E+12 0.00 0.000E+00
REV/ 6.281E+14 -0.10 5.623E+04 /
CH3+O<=>CH2O+H 5.540E+13 0.05 -1.360E+02
REV/ 3.873E+15 -0.15 6.841E+04 /
CH3+O2<=>CH3O+O 1.375E+13 0.00 3.052E+04
REV/ 8.506E+14 -0.45 2.479E+03 /
CH3+O2<=>CH2O+OH 5.870E+11 0.00 1.424E+04
REV/ 1.175E+11 0.19 6.606E+04 /
C2H4+H(+M)<=>C2H5(+M) 3.975E+09 1.28 1.292E+03
LOW / 2.7910E+18 0.0000E+00 7.5500E+02 / 
TROE / 7.6000E-01 4.0000E+01 1.0250E+03 1.0000E+10 / !Troe Fall-off reaction
H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/         
C2H5+C2H3<=>C2H4+C2H4 6.859E+11 0.11 -4.300E+03
REV/ 4.820E+14 0.00 7.153E+04 /
CH3+C2H5<=>CH4+C2H4 1.950E+13 -0.50 0.000E+00
REV/ 3.949E+15 -0.55 6.961E+04 /
C2H5+H<=>CH3+CH3 1.510E+18 -1.03 4.380E+03
REV/ 3.160E+13 0.00 1.467E+04 /
C2H5+H<=>C2H4+H2 2.000E+12 0.00 0.000E+00
REV/ 4.438E+11 0.40 6.807E+04 /
CH2CO+H<=>CH3+CO 1.100E+13 0.00 3.400E+03
REV/ 2.400E+12 0.00 4.020E+04 /
CH2CO+H<=>HCCO+H2 2.000E+14 0.00 8.000E+03
REV/ 3.001E+09 0.64 -1.100E+03 /
CH2CO+O<=>HCCO+OH 1.000E+13 0.00 8.000E+03
REV/ 7.877E+07 0.62 -2.512E+03 /
CH2CO+OH<=>HCCO+H2O 1.000E+13 0.00 2.000E+03
REV/ 1.597E+09 0.53 7.792E+03 /
HCCO+OH<=>HCO+HCO 1.000E+13 0.00 0.000E+00
REV/ 4.820E+13 0.00 4.036E+04 /
HCCO+O<=>H+CO+CO 8.000E+13 0.00 0.000E+00
REV/ 0.000E+00 0.00 0.000E+00 /
HCCO+O2<=>OH+CO+CO 4.200E+10 0.00 8.500E+02
REV/ 0.000E+00 0.00 0.000E+00 /
C2H3+H(+M)<=>C2H4(+M) 1.360E+14 0.17 6.600E+02
LOW / 1.4000E+30 -3.8600E+00 3.3200E+03 / 
TROE / 7.8200E-01 2.0750E+02 2.6630E+03 6.0950E+03 / !Troe Fall-off reaction
H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/         
C2H4(+M)<=>C2H2+H2(+M) 8.000E+12 0.44 8.877E+04
LOW / 1.5800E+51 -9.3000E+00 9.7800E+04 / 
TROE / 7.3500E-01 1.8000E+02 1.0350E+03 5.4170E+03 / !Troe Fall-off reaction
H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/         
C2H4+H<=>C2H3+H2 5.070E+07 1.93 1.295E+04
REV/ 1.601E+04 2.44 5.190E+03 /
C2H4+O<=>CH3+HCO 8.564E+06 1.88 1.830E+02
REV/ 3.333E+02 2.60 2.614E+04 /
C2H4+OH<=>C2H3+H2O 2.090E+06 2.01 1.160E+03
REV/ 7.021E+03 2.41 8.292E+03 /
C2H4+CH3<=>C2H3+CH4 6.620E+00 3.70 9.500E+03
REV/ 1.440E+00 4.02 5.472E+03 /
C2H4+O2<=>C2H3+HO2 4.000E+13 0.00 5.820E+04
REV/ 6.626E+10 0.16 -4.249E+03 /
C2H2+H(+M)<=>C2H3(+M) 5.600E+12 0.00 2.400E+03
LOW / 3.8000E+40 -7.2700E+00 7.2200E+03 / 
TROE / 7.5100E-01 9.8500E+01 1.3020E+03 4.1670E+03 / !Troe Fall-off reaction
H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/         
C2H3+O2<=>C2H2+HO2 2.120E-06 6.00 9.484E+03
REV/ 1.087E-05 5.91 2.404E+04 /
C2H3+O2<=>CH2O+HCO 1.700E+29 -5.31 6.500E+03
REV/ 7.987E+27 -4.88 9.345E+04 /
CH3+C2H3<=>CH4+C2H2 3.920E+11 0.00 0.000E+00
REV/ 3.497E+14 -0.19 7.078E+04 /
C2H3+H<=>C2H2+H2 3.000E+13 0.00 0.000E+00
REV/ 2.932E+13 0.25 6.924E+04 /
C2H3+OH<=>C2H2+H2O 5.000E+12 0.00 0.000E+00
REV/ 5.200E+13 0.15 8.413E+04 /
C2H2+O2<=>HCCO+OH 2.000E+08 1.50 3.010E+04
REV/ 1.582E+07 0.96 2.682E+04 /
C2H2+O<=>HCCO+H 1.350E+07 2.00 1.900E+03
REV/ 3.732E+08 1.07 1.535E+04 /
C2H2+OH<=>CH2CO+H 3.236E+13 0.00 1.200E+04
REV/ 1.136E+20 -1.55 3.596E+04 /
C2H2+OH<=>CH3+CO 4.830E-04 4.00 -2.000E+03
REV/ 3.495E-06 4.64 5.212E+04 /
C2H3CO<=>C2H3+CO 1.370E+21 -2.18 3.941E+04
REV/ 1.510E+11 0.00 4.810E+03 /
CH3OCO<=>CH3+CO2 7.978E+12 0.33 1.564E+04
REV/ 4.760E+07 1.54 3.470E+04 /
CH3OCO<=>CH3O+CO 3.179E+13 0.46 2.340E+04
REV/ 1.550E+06 2.02 5.730E+03 /
NC3H7<=>CH3+C2H4 9.970E+40 -8.60 4.143E+04
REV/ 2.422E+34 -7.01 1.685E+04 /
NC3H7<=>H+C3H6 8.780E+39 -8.10 4.658E+04
REV/ 2.070E+37 -7.39 1.202E+04 /
NC3H7+O2<=>C3H6+HO2 3.000E-19 0.00 3.000E+03
REV/ 2.000E-19 0.00 1.750E+04 /
C3H6<=>C2H3+CH3 2.730E+62 -13.28 1.232E+05
REV/ 6.811E+53 -11.78 2.056E+04 /
C3H6+O<=>C2H5+HCO 1.580E+07 1.76 -1.216E+03
REV/ 9.272E+01 2.72 2.312E+04 /
C3H6+O<=>CH2CO+CH3+H 2.500E+07 1.76 7.600E+01
REV/ 0.000E+00 0.00 0.000E+00 /
C3H6+H<=>C2H4+CH3 4.830E+34 -5.81 1.850E+04
REV/ 1.524E+29 -4.54 2.716E+04 /
NC3H7CO<=>NC3H7+CO 1.000E+11 0.00 9.600E+03
REV/ 3.970E+05 1.15 7.800E+02 /
MB<=>MB4J+H 1.860E+17 -0.34 1.012E+05
REV/ 1.000E+14 0.00 0.000E+00 /
MB<=>MB3J+H 4.335E+18 -0.74 9.876E+04
REV/ 1.000E+14 0.00 0.000E+00 /
MB<=>MB2J+H 5.972E+14 0.24 9.338E+04
REV/ 1.000E+14 0.00 0.000E+00 /
MB<=>MBMJ+H 1.676E+17 -0.38 1.005E+05
REV/ 1.000E+14 0.00 0.000E+00 /
MB(+M)<=>BAOJ+CH3(+M) 1.276E+23 -1.99 8.810E+04
LOW / 1.7440E+73 -1.5960E+01 8.5320E+04 / 
TROE / 2.1857E-01 1.0000E+00 6.3755E+03 8.2130E+09 / !Troe Fall-off reaction
MB(+M)<=>ME2J+C2H5(+M) 2.700E+22 -1.86 8.568E+04
LOW / 3.9100E+74 -1.6420E+01 8.3700E+04 / 
TROE / 8.6980E-01 7.4990E+09 1.6303E+00 7.5960E+07 / !Troe Fall-off reaction
MB(+M)<=>CH3OCO+NC3H7(+M) 2.050E+24 -2.24 9.302E+04
LOW / 1.0180E+68 -1.4470E+01 8.7650E+04 / 
TROE / 8.0130E-01 9.9580E+09 3.3530E+02 3.2890E+09 / !Troe Fall-off reaction
MB(+M)<=>NC3H7CO+CH3O(+M) 3.713E+21 -1.38 9.890E+04
LOW / 1.8070E+58 -1.1700E+01 9.1270E+04 / 
TROE / 2.5187E-01 3.7280E+02 9.4883E+09 5.0000E+09 / !Troe Fall-off reaction
MB+C2H3<=>C2H4+MB4J 5.010E+11 0.00 1.800E+04
REV/ 3.407E+11 0.11 2.812E+04 /
MB+CH3<=>CH4+MB4J 4.530E-01 3.65 7.154E+03
REV/ 8.877E-02 3.82 1.105E+04 /
MB+H<=>H2+MB4J 6.660E+05 2.54 6.756E+03
REV/ 1.430E+02 3.16 9.116E+03 /
MB+HO2<=>H2O2+MB4J 2.022E+04 2.55 1.649E+04
REV/ 2.513E+03 2.47 2.849E+03 /
MB+O<=>OH+MB4J 9.810E+05 2.43 4.750E+03
REV/ 1.106E+02 3.03 5.698E+03 /
MB+O2<=>HO2+MB4J 3.000E+13 0.00 5.229E+04
REV/ 3.379E+10 0.27 -3.900E+01 /
MB+OH<=>H2O+MB4J 5.280E+09 0.97 1.586E+03
REV/ 1.206E+07 1.48 1.884E+04 /
MB+C2H3<=>C2H4+MB3J 4.000E+11 0.00 1.680E+04
REV/ 1.167E+10 0.51 2.936E+04 /
MB+CH3<=>CH4+MB3J 1.510E+00 3.46 5.481E+03
REV/ 1.269E-02 4.03 1.182E+04 /
MB+H<=>H2+MB3J 1.300E+06 2.40 4.471E+03
REV/ 1.197E+01 3.42 9.271E+03 /
MB+HO2<=>H2O2+MB3J 8.194E+03 2.60 1.391E+04
REV/ 4.369E+01 2.92 2.709E+03 /
MB+O<=>OH+MB3J 5.520E+05 2.45 2.830E+03
REV/ 2.669E+00 3.45 6.218E+03 /
MB+O2<=>HO2+MB3J 2.000E+13 0.00 4.964E+04
REV/ 9.664E+08 0.67 -2.490E+02 /
MB+OH<=>H2O+MB3J 4.680E+07 1.61 -3.500E+01
REV/ 4.586E+03 2.52 1.966E+04 /
MB+C2H3<=>C2H4+MB2J 4.000E+11 0.00 1.430E+04
REV/ 8.469E+13 -0.47 3.224E+04 /
MB+CH3<=>CH4+MB2J 1.203E-09 6.36 8.930E+02
REV/ 7.341E-08 5.95 1.261E+04 /
MB+H<=>H2+MB2J 1.202E+06 2.40 2.583E+03
REV/ 8.036E+04 2.43 1.276E+04 /
MB+HO2<=>H2O2+MB2J 6.137E+03 2.55 1.053E+04
REV/ 2.375E+05 1.89 4.709E+03 /
MB+O<=>OH+MB2J 7.660E+05 2.41 1.140E+03
REV/ 2.688E+04 2.42 9.908E+03 /
MB+O2<=>HO2+MB2J 2.000E+13 0.00 4.820E+04
REV/ 7.015E+12 -0.32 3.691E+03 /
MB+OH<=>H2O+MB2J 1.146E+11 0.51 6.300E+01
REV/ 8.152E+10 0.44 2.514E+04 /
MB+C2H3<=>C2H4+MBMJ 5.010E+11 0.00 1.800E+04
REV/ 3.779E+11 0.15 2.879E+04 /
MB+CH3<=>CH4+MBMJ 2.265E+00 3.46 5.481E+03
REV/ 4.924E-01 3.67 1.005E+04 /
MB+H<=>H2+MBMJ 1.950E+06 2.40 4.471E+03
REV/ 4.644E+02 3.06 7.501E+03 /
MB+HO2<=>H2O2+MBMJ 1.229E+04 2.60 1.391E+04
REV/ 1.695E+03 2.56 9.390E+02 /
MB+O<=>OH+MBMJ 8.280E+05 2.45 2.830E+03
REV/ 1.035E+02 3.09 4.448E+03 /
MB+O2<=>HO2+MBMJ 3.000E+13 0.00 4.964E+04
REV/ 3.749E+10 0.31 -2.019E+03 /
MB+OH<=>H2O+MBMJ 7.020E+07 1.61 -3.500E+01
REV/ 1.779E+05 2.16 1.789E+04 /
BAOJ<=>CO2+NC3H7 4.053E+18 -1.77 2.517E+04
REV/ 1.000E+11 0.00 3.936E+04 /
MB2J<=>MP2D+CH3 6.121E+22 -2.08 4.239E+04
REV/ 1.000E+13 0.00 1.400E+04 /
MB3J<=>C3H6+CH3OCO 8.138E+12 0.35 3.359E+04
REV/ 8.800E+03 2.48 6.130E+03 /
MB4J<=>C2H4+ME2J 2.631E+10 0.84 2.610E+04
REV/ 1.000E+04 2.48 6.130E+03 /
ME2J<=>CH2CO+CH3O 5.493E+19 -1.53 4.321E+04
REV/ 5.000E+11 0.00 -1.000E+03 /
NC3H7CO<=>CH2CO+C2H5 2.745E+09 1.41 3.583E+04
REV/ 1.000E+04 2.48 6.130E+03 /
MBMJ<=>NC3H7CO+CH2O 1.636E+22 -2.33 3.285E+04
REV/ 3.890E+11 0.00 1.090E+04 /
MB4J<=>MB2J 1.786E+09 0.80 3.174E+04
REV/ 5.561E+11 0.21 3.956E+04 /
MB4J<=>MB3J 1.652E+10 0.94 3.933E+04
REV/ 7.086E+08 1.34 4.177E+04 /
MB4J<=>MBMJ 4.547E+09 -0.54 1.882E+04
REV/ 5.044E+09 -0.50 1.949E+04 /
MB3J<=>MBMJ 9.256E+10 -0.65 1.390E+04
REV/ 2.394E+12 -1.02 1.213E+04 /
MB3J<=>MB2J 1.414E+10 0.86 3.947E+04
REV/ 1.026E+14 -0.13 4.485E+04 /
MB2J<=>MBMJ 2.807E+11 -0.62 2.615E+04
REV/ 1.000E+09 0.00 1.900E+04 /
MP2D+O<=>ME2J+HCO 1.580E+07 1.76 -1.216E+03
REV/ 3.126E+07 1.60 2.871E+04 /
MP2D<=>C2H3+CH3OCO 7.955E+24 -2.53 1.071E+05
REV/ 1.810E+13 0.00 0.000E+00 /
MP2D+CH3<=>C2H3CO+CH2O+CH4 4.520E-01 3.65 7.154E+03
REV/ 0.000E+00 0.00 0.000E+00 /
MP2D+H<=>C2H3CO+CH2O+H2 9.400E+04 2.75 6.280E+03
REV/ 0.000E+00 0.00 0.000E+00 /
MP2D+O<=>C2H3CO+CH2O+OH 9.650E+04 2.68 3.716E+03
REV/ 0.000E+00 0.00 0.000E+00 /
MP2D+OH<=>C2H3CO+CH2O+H2O 5.250E+09 0.97 1.590E+03
REV/ 0.000E+00 0.00 0.000E+00 /
MP2D+HO2<=>C2H3CO+CH2O+H2O2 4.040E+04 2.50 1.669E+04
REV/ 0.000E+00 0.00 0.000E+00 /
MP2D<=>C2H3CO+CH3O 2.981E+22 -1.91 9.017E+04
REV/ 3.000E+13 0.00 0.000E+00 /
END