!****************************************************************************
!****************************************************************************
!          A Detailed Kinetic Model of 1,3-Butadiene Combustion
!
!                     Alexander Laskin and Hai Wang
!Department of Mechanical Engineering, University of Delaware, Neark, DE 19716
!
!                          Chung K. Law 
!Department of Mechanical and Aerospace Engineering, Princeton University
!    
!                                 June 1999
!
!****************************************************************************
!
! Reference sources can be found at the end of the file.
!
!****************************************************************************
!
! Please contact Hai Wang at hwang@me.udel.edu for questions and comments   
!     
!============================================================================  
ELEMENTS
O  H  C  N  AR
END
SPECIES
!
AR  N2 
!
! radicals in order of increasing molecular weight:
!
H  C  CH  CH2  CH2  CH2*  CH3  O  OH  C2H  H2CC  C2H3  C2H5  HCO  CH2O  CH2OH
CH3O  HO2  C3H2  C3H3  C2O HCCO  aC3H5  CH3CCH2  CH3CHCH  nC3H7  iC3H7  CH3CO
CH2OCH  n-C4H3  i-C4H3  n-C4H5  i-C4H5  C4H5-2  C4H7  CH2CHCO  C5H5  CH2CHCHCHO
CH3CHCHCO  C6H3  A1-  C5H5O  C5H4OH  A1CH2  C6H5O  
!
! stable molecules in order of increasing molecular weight:
!
H2  CH4  H2O  C2H2  C2H4  CO  C2H6  CH3OH  O2  H2O2  pC3H4  aC3H4  cC3H4  C3H6
CH2CO  HCCOH  CH2CHO  CH3CHO  CH2OCH2  C3H8  CO2  C4H2  C4H4  C4H6  C4H612
C4H6-2  C4H81  C2H3CHO  CH3CHOCH2  CH3CH2CHO  CH3COCH3  C5H6  H2C4O  C4H4O
C2H3CHOCH2  C4H6O23  CH3CHCHCHO  C4H6O25  C6H2  l-C6H4  c-C6H4  A1  C5H4O
A1CH3 C6H5OH A1C2H A1C2H3 A2 
!
!CH2         - triplet methylene
!CH2*        - singlet methylene
!H2CC        - vinylidene
!aC3H5       - allyl
!CH3CCH2     - CH3-*C=CH2
!CH3CHCH     - CH3-CH=CH*
!nC3H7       - CH3-CH2-CH2*
!iC3H7       - CH3-*CH-CH3
!CH2OCH      - CH2OCH* radical of ethylene oxide
!n-C4H3      - *CH=CH-CCH
!i-C4H3      - CH2C*-CCH
!n-C4H5      - *CH=CH-CH=CH2
!i-C4H5      - CH2=C*-CH=CH2
!C4H5-2      - CH3-CC-*CH2
!C4H7        - *CH2-CH2-CH=CH2
!CH2CHCO     - CH2=CH-*CO
!C5H5        - cyclopentadienyl
!CH2CHCHCHO  - *CH2-CH=CH-CHO		
!CH3CHCHCO   - CH3-CH=CH-*CO
!C6H3        - *CH=CH-CC-CCH
!A1-         - phenyl
!C5H5O       - cyclopentadienyloxy radical
!C5H4OH      - cyclopentadienolyl radical
!A1CH2       - benzyl
!C6H5O       - phenoxy radical
!CH2OCH2     - ethylene oxide
!C4H6        - 1,3-butadiene
!C4H612      - 1,2-butadiene
!C4H6-2      - 2-butyne
!C4H81       - 1-butene  
!C2H3CHO     - acrolein
!CH3CHOCH2   - propylene oxide
!CH3COCH3    - acetone
!C5H6        - cyclopentadiene
!H2C4O       - CH2=C=C=C=O
!C4H4O       - furan
!C2H3CHOCH2  - ethenyloxirane
!C4H6O23     - 2,3-dihydrofuran
!CH3CHCHCHO  - crotonaldehyde
!C4H6O25     - 2,5-dihydrofuran
!l-C6H4      - CH2=CH-CC-CCH
!c-C6H4      - benzyne
!A1          - benzene
!C5H4O       - 2,4-cyclopentadiene, 1-one
!A1CH3       - toluene
!C6H5OH      - phenol
!A1C2H       - phenylacetylene
!A1C2H3      - styrene
!A2          - naphthalene 
END
REACTIONS
!
! Reactions of H2/O2
!
 H+O2 = O+OH             8.300E+13   0.000  14413.00 !GRI
 O+H2 = H+OH             5.000E+04   2.670   6290.00 !GRI
 OH+H2 = H+H2O           2.160E+08   1.510   3430.00 !GRI
 OH+OH = O+H2O           3.570E+04   2.400  -2110.00 !GRI
 H+H+M = H2+M            1.000E+18  -1.000      0.00 !GRI
   H2/0.0/ H2O/0.0/ CH4/2.0/ CO2/0.0/ C2H6/3.00/ AR/0.63/
 H+H+H2 = H2+H2          9.000E+16  -0.600      0.00 !GRI
 H+H+H2O = H2+H2O        6.000E+19  -1.250      0.00 !GRI
 H+H+CO2 = H2+CO2        5.500E+20  -2.000      0.00 !GRI
 H+OH+M = H2O+M          2.200E+22  -2.000      0.00 !GRI
   H2/0.73/ H2O/3.65/ CH4/2.0/ C2H6/3.0/ AR/0.38/
 O+H+M = OH+M            5.000E+17  -1.000      0.00 !GRI
   H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
 O+O+M = O2+M            1.200E+17  -1.000      0.00 !GRI
   H2/ 2.4/ H2O/15.4/ CH4/ 2.0/ CO/ 1.75/ CO2/ 3.6/ C2H6/ 3.0/ AR/ 0.83/
 H+O2+M = HO2+M          2.800E+18  -0.860      0.00 !GRI
   O2/0.0/ H2O/0.0/ CO/0.75/ CO2/1.5/ C2H6/1.5/ N2/0.0/ AR/0.0/
 H+O2+O2 = HO2+O2        3.000E+20  -1.720      0.00 !GRI
 H+O2+H2O<=>HO2+H2O      1.652E+19  -0.760      0.00 !GRI
 H+O2+N2 = HO2+N2        2.600E+19   -1.240      0.00 !GRI 
 H+O2+AR = HO2+AR        7.000E+17   -0.800      0.00 !GRI
 OH+OH(+M) = H2O2(+M)    7.400E+13   -0.370      0.00 !GRI
   LOW  /  2.300E+18   -0.900  -1700.00/
   TROE/  0.7346   94.00  1756.00  5182.00 /
   H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
!
! Reactions of HO2
!
 HO2+H = O+H2O                 3.970E+12    0.000    671.00 !GRI
 HO2+H = O2+H2                 1.660E+13    0.000    820.00 !GRI#
 HO2+H = OH+OH                 7.080E+13    0.000    300.00 !GRI#
 HO2+O = OH+O2                 2.000E+13    0.000      0.00 !GRI
 HO2+OH = O2+H2O               4.640E+13    0.000   -500.00 !GRI
 HO2+HO2 = O2+H2O2             1.300E+11    0.000  -1630.00 !GRI
  DUPLICATE
 HO2+HO2 = O2+H2O2             4.200E+14    0.000  12000.00 !GRI
  DUPLICATE
!
! Reactions of H2O2
!
 H2O2+H = HO2+H2               1.210E+07    2.000   5200.00 !GRI
 H2O2+H = OH+H2O               1.000E+13    0.000   3600.00 !GRI
 H2O2+O = OH+HO2               9.630E+06    2.000   4000.00 !GRI
 H2O2+OH = HO2+H2O             1.750E+12    0.000    320.00 !GRI
  DUPLICATE
 H2O2+OH = HO2+H2O             5.800E+14    0.000   9560.00 !GRI
  DUPLICATE
!
! Reactions of CO/CO2
!
 CO+O+M = CO2+M                6.020E+14    0.000   3000.00 !GRI
   H2/2.0/ O2/6.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/3.5/ C2H6/3.0/ AR/0.5/
 CO+OH = CO2+H                 4.760E+07    1.228     70.00 !GRI
 CO+H2(+M) = CH2O(+M)          4.300E+07    1.500  79600.00 !GRI
 LOW  /  5.070E+27   -3.420  84350.00/
 TROE/  0.9320  197.00  1540.00 10300.00 /
 H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
 CO+O2 = CO2+O                 2.500E+12    0.000  47800.00 !GRI
 CO+HO2 = CO2+OH               1.500E+14    0.000  23600.00 !GRI
!
! Reactions of C
!
 C+OH = CO+H                   5.000E+13    0.000      0.00 !GRI
 C+O2 = CO+O                   5.800E+13    0.000    576.00 !GRI
!
! Reactions of CH
!
 CH+H = C+H2                   1.100E+14    0.000      0.00 !GRI
 CH+O = CO+H                   5.700E+13    0.000      0.00 !GRI
 CH+OH = HCO+H                 3.000E+13    0.000      0.00 !GRI
 CH+H2 = CH2+H                 1.107E+08    1.790   1670.00 !GRI
 CH+H2O = CH2O+H               5.710E+12    0.000   -755.00 !GRI
 CH+O2 = HCO+O                 3.300E+13    0.000      0.00 !GRI
 CH+CO(+M) = HCCO(+M)          5.000E+13    0.000      0.00 !GRI
    LOW  /  2.690E+28   -3.740   1936.00/
    TROE/  0.5757  237.00  1652.00  5069.00 /
    H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
 CH+CO2 = HCO+CO               3.400E+12    0.000    690.00 !GRI
!
! Reactions of HCO
!
 HCO+H(+M) = CH2O(+M)          1.090E+12    0.480   -260.00 !GRI
    LOW  /  1.350E+24   -2.570   1425.00/
    TROE/  0.7824  271.00  2755.00  6570.00 /
    H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
 HCO+H = CO+H2                 7.340E+13    0.000      0.00 !GRI
 HCO+O = CO+OH                 3.000E+13    0.000      0.00 !GRI
 HCO+O = CO2+H                 3.000E+13    0.000      0.00 !GRI
 HCO+OH = CO+H2O               5.000E+13    0.000      0.00 !GRI
 HCO+M = CO+H+M                1.870E+17   -1.000  17000.00 !GRI
    H2/2.0/ H2O/18.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
 HCO+O2 = CO+HO2               7.600E+12    0.000    400.00 !GRI
!
! Reactions of CH2(triplet)
!
 CH2+H(+M) = CH3(+M)           2.500E+16   -0.800      0.00 !GRI
    LOW  /  3.200E+27   -3.140   1230.00/
    TROE/  0.6800   78.00  1995.00  5590.00 /
    H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
 CH2+O = HCO+H                 8.000E+13    0.000      0.00 !GRI
 CH2+OH = CH2O+H               2.000E+13    0.000      0.00 !GRI
 CH2+OH = CH+H2O               1.130E+07    2.000   3000.00 !GRI
 CH2+H2 = H+CH3                5.000E+05    2.000   7230.00 !GRI
 CH2+O2 = HCO+OH               1.060E+13    0.000   1500.00 !GRI##
 CH2+O2 = CO2+H+H              2.640E+12    0.000   1500.00 !GRI##
 CH2+HO2 = CH2O+OH             2.000E+13    0.000      0.00 !GRI
 CH2+C = C2H+H                 5.000E+13    0.000      0.00 !GRI
 CH2+CO(+M) = CH2CO(+M)        8.100E+11    0.500   4510.00 !GRI
   LOW  /  2.690E+33   -5.110   7095.00/
   TROE/  0.5907  275.00  1226.00  5185.00 /
   H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
 CH2+CH = C2H2+H               4.000E+13    0.000      0.00 !GRI
 CH2+CH2 = C2H2+H2             3.200E+13    0.000      0.00 !GRI
!
! Reactions of CH2(singlet)
!
 CH2*+N2 = CH2+N2              1.500E+13    0.000    600.00 !GRI
 CH2*+AR = CH2+AR              9.000E+12    0.000    600.00 !GRI
 CH2*+H = CH+H2                3.000E+13    0.000      0.00 !GRI
 CH2*+O = CO+H2                1.500E+13    0.000      0.00 !GRI
 CH2*+O = HCO+H                1.500E+13    0.000      0.00 !GRI
 CH2*+OH = CH2O+H              3.000E+13    0.000      0.00 !GRI
 CH2*+H2 = CH3+H               7.000E+13    0.000      0.00 !GRI
 CH2*+O2 = H+OH+CO             2.800E+13    0.000      0.00 !GRI
 CH2*+O2 = CO+H2O              1.200E+13    0.000      0.00 !GRI
 CH2*+H2O(+M) = CH3OH(+M)      2.000E+13    0.000      0.00 !GRI
    LOW  /  2.700E+38   -6.300   3100.00/
    TROE/  0.1507  134.00  2383.00  7265.00 /
    H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
 CH2*+H2O = CH2+H2O            3.000E+13    0.000      0.00 !GRI
 CH2*+CO = CH2+CO              9.000E+12    0.000      0.00 !GRI
 CH2*+CO2 = CH2+CO2            7.000E+12    0.000      0.00 !GRI
 CH2*+CO2 = CH2O+CO            1.400E+13    0.000      0.00 !GRI
!
! Reactions of CH2O
!
 CH2O+H(+M) = CH2OH(+M)        5.400E+11    0.454   3600.00 !GRI
    LOW  /  1.270E+32   -4.820   6530.00/
    TROE/  0.7187  103.00  1291.00  4160.00 /
    H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
 CH2O+H(+M) = CH3O(+M)         5.400E+11    0.454   2600.00 !GRI
    LOW  /  2.200E+30   -4.800   5560.00/
    TROE/  0.7580   94.00  1555.00  4200.00 /
    H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
 CH2O+H = HCO+H2               2.300E+10    1.050   3275.00 !GRI
 CH2O+O = HCO+OH               3.900E+13    0.000   3540.00 !GRI
 CH2O+OH = HCO+H2O             3.430E+09    1.180   -447.00 !GRI
 CH2O+O2 = HCO+HO2             1.000E+14    0.000  40000.00 !GRI
 CH2O+HO2 = HCO+H2O2           1.000E+12    0.000   8000.00 !GRI
 CH2O+CH = CH2CO+H             9.460E+13    0.000   -515.00 !GRI
!
! Reactions of CH3
!
 CH3+H(+M) = CH4(+M)           1.270E+16   -0.630    383.00 !GRI
    LOW  /  2.477E+33   -4.760   2440.00/
    TROE/  0.7830   74.00  2941.00  6964.00 /
    H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
 CH3+O = CH2O+H                8.430E+13    0.000      0.00 !GRI
 CH3+OH(+M) = CH3OH(+M)        6.300E+13    0.000      0.00 !GRI
    LOW  /  2.700E+38   -6.300   3100.00/
    TROE/  0.2105   83.50  5398.00  8370.00 /
    H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
 CH3+OH = CH2+H2O              5.600E+07    1.600   5420.00 !GRI
 CH3+OH = CH2*+H2O             2.501E+13    0.000      0.00 !GRI
 CH3+O2 = O+CH3O               3.083E+13    0.000  28800.00 !GRI
 CH3+O2 = OH+CH2O              3.600E+10    0.000   8940.00 !GRI
 CH3+HO2 = CH4+O2              1.000E+12    0.000      0.00 !GRI
 CH3+HO2 = CH3O+OH             1.340E+13    0.000      0.00 !GRI
 CH3+H2O2 = CH4+HO2            2.450E+04    2.470   5180.00 !GRI
 CH3+C = C2H2+H                5.000E+13    0.000      0.00 !GRI
 CH3+CH = C2H3+H               3.000E+13    0.000      0.00 !GRI
 CH3+HCO = CH4+CO              8.480E+12    0.000      0.00 !GRI
 CH3+CH2O = CH4+HCO            3.320E+03    2.810   5860.00 !GRI
 CH3+CH2 = C2H4+H              4.000E+13    0.000      0.00 !GRI
 CH3+CH2* = C2H4+H             1.200E+13    0.000   -570.00 !GRI
 CH3+CH3(+M) = C2H6(+M)        2.120E+16   -0.970    620.00 !GRI
   LOW  /  1.770E+50   -9.670   6220.00/
   TROE/  0.5325  151.00  1038.00  4970.00 /
   H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
 CH3+CH3 = H+C2H5              4.990E+12    0.100  10600.00 !GRI
 CH3+HCCO = C2H4+CO            5.00E+13     0.0        0.0  !Estimated
 CH3+C2H = C3H3+H              2.41E+13     0.0        0.0  !86TSA/HAM
!
! Reactions of CH3O
!
 CH3O+H(+M) = CH3OH(+M)        5.000E+13    0.000      0.00 !GRI
    LOW  /  8.600E+28   -4.000   3025.00/
    TROE/  0.8902  144.00  2838.00 45569.00 /
    H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
 CH3O+H = CH2OH+H              3.400E+06    1.600      0.00 !GRI
 CH3O+H = CH2O+H2              2.000E+13    0.000      0.00 !GRI
 CH3O+H = CH3+OH               3.200E+13    0.000      0.00 !GRI
 CH3O+H = CH2*+H2O             1.600E+13    0.000      0.00 !GRI
 CH3O+O = CH2O+OH              1.000E+13    0.000      0.00 !GRI
 CH3O+OH = CH2O+H2O            5.000E+12    0.000      0.00 !GRI
 CH3O+O2 = CH2O+HO2            4.280E-13    7.600  -3530.00 !GRI
!
! Reactions of CH2OH
!
 CH2OH+H(+M) = CH3OH(+M)       1.800E+13    0.000      0.00 !GRI
    LOW  /  3.000E+31   -4.800   3300.00/
    TROE/  0.7679  338.00  1812.00  5081.00 /
    H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
 CH2OH+H = CH2O+H2             2.000E+13    0.000      0.00 !GRI
 CH2OH+H = CH3+OH              1.200E+13    0.000      0.00 !GRI
 CH2OH+H = CH2*+H2O            6.000E+12    0.000      0.00 !GRI
 CH2OH+O = CH2O+OH             1.000E+13    0.000      0.00 !GRI
 CH2OH+OH = CH2O+H2O           5.000E+12    0.000      0.00 !GRI
 CH2OH+O2 = CH2O+HO2           1.800E+13    0.000    900.00 !GRI
!
! Reactions of CH4
!
 CH4+H = CH3+H2                6.600E+08    1.620  10840.00 !GRI
 CH4+O = CH3+OH                1.020E+09    1.500   8600.00 !GRI
 CH4+OH = CH3+H2O              1.000E+08    1.600   3120.00 !GRI
 CH4+CH = C2H4+H               6.000E+13    0.000      0.00 !GRI
 CH4+CH2 = CH3+CH3             2.460E+06    2.000   8270.00 !GRI
 CH4+CH2* = CH3+CH3            1.600E+13    0.000   -570.00 !GRI
 CH4+C2H = C2H2+CH3            1.810E+12    0.0      500.0  !86TSA/HAM
!
! Reactions of CH3OH
!
 CH3OH+H = CH2OH+H2            1.700E+07    2.100   4870.00 !GRI
 CH3OH+H = CH3O+H2             4.200E+06    2.100   4870.00 !GRI
 CH3OH+O = CH2OH+OH            3.880E+05    2.500   3100.00 !GRI
 CH3OH+O = CH3O+OH             1.300E+05    2.500   5000.00 !GRI
 CH3OH+OH = CH2OH+H2O          1.440E+06    2.000   -840.00 !GRI
 CH3OH+OH = CH3O+H2O           6.300E+06    2.000   1500.00 !GRI
 CH3OH+CH3 = CH2OH+CH4         3.000E+07    1.500   9940.00 !GRI
 CH3OH+CH3 = CH3O+CH4          1.000E+07    1.500   9940.00 !GRI
!
! Reactions of C2H
!
 C2H+H(+M) = C2H2(+M)          1.000E+17   -1.000      0.00 !GRI
    LOW  /  3.750E+33   -4.800   1900.00/
    TROE/  0.6464  132.00  1315.00  5566.00 /
    H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
 C2H+O = CH+CO                 5.000E+13    0.000      0.00 !GRI
 C2H+OH = H+HCCO               2.000E+13    0.000      0.00 !GRI
 C2H+O2 = HCO+CO               5.000E+13    0.000   1500.00 !GRI
 C2H+H2 = H+C2H2               4.900E+05    2.500    560.00 !GRI
!
! Reactions of C2O
!
 C2O+H = CH+CO                 5.000E+13    0.000      0.00 !92MIL/MEL
 C2O+O = CO+CO                 5.000E+13    0.000      0.00 !92MIL/MEL
 C2O+OH = CO+CO+H              2.000E+13    0.000      0.00 !92MIL/MEL
 C2O+O2 = CO+CO+O              2.000E+13    0.000      0.00 !92MIL/MEL
!
! Reactions of HCCO
!
 HCCO+H = CH2*+CO              1.000E+14    0.000      0.00 !GRI
 HCCO+O = H+CO+CO              1.000E+14    0.000      0.00 !GRI
 HCCO+O2 = OH+2CO              1.600E+12    0.000    854.00 !GRI
 HCCO+CH = C2H2+CO             5.000E+13    0.000      0.00 !GRI
 HCCO+CH2 = C2H3+CO            3.000E+13    0.000      0.00 !GRI
 HCCO+HCCO = C2H2+CO+CO        1.000E+13    0.000      0.00 !GRI
 HCCO+OH = C2O+H2O             3.000E+13    0.000      0.00 !92MIL/MEL
!
! Reactions of C2H2
!
 C2H2 (+M) = H2CC (+M)         8.000E+14   -0.520  50750.00 !99LAS/WAN
    LOW /   2.450E+15   -0.640   49700.00 /
    H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/C2H2/2.5/ C2H4/2.5/ 
 C2H3 (+M) = C2H2+H (+M)       3.860E+08    1.620   37048.2 !96KNY/SLA
    LOW  /  2.565E+27   -3.400  35798.72/
    TROE/  1.9816  5383.7  4.2932   -0.0795 /
    H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/ C2H2/3.00/ 
    C2H4/3.00/
 C2H2+O = C2H+OH               4.600E+19   -1.410  28950.00 !GRI
 C2H2+O = CH2+CO               4.080E+06    2.000   1900.00 !GRI (0.2 branching ratio)
 C2H2+O = HCCO + H             1.632E+07    2.000   1900.00 !GRI (0.8 branching ratio)
 C2H2+OH = CH2CO+H             2.180E-04    4.500  -1000.00 !GRI
 C2H2+OH = HCCOH+H             5.040E+05    2.300  13500.00 !GRI
 C2H2+OH = C2H+H2O             3.370E+07    2.000  14000.00 !GRI
 C2H2+OH = CH3+CO              4.830E-04    4.000  -2000.00 !GRI
 C2H2+HCO = C2H3+CO            1.000E+07    2.000   6000.00 !Estimated
 C2H2+CH = C3H2+H              3.000E+13    0.000      0.00 !84WAR
 C2H2+CH2 = C3H3+H             1.200E+13    0.000   6620.00 !88BOH/TEM; 86FRA/BHA
 C2H2+CH2* = C3H3+H            2.000E+13    0.000      0.00 !97WAN/FRE
 C2H2+C2H = C4H2+H             9.600E+13    0.000      0.00 !91SHI/MIC, 92KOS/FUK, 93FAR/MOR
 C2H2+C2H (+M) = n-C4H3 (+M)   8.300E+10    0.899   -363.00 !92WAN
    LOW   /1.240E+31   -4.718    1871.00 /
    TROE   /1.0 100. 5613. 13387. /
    H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ 
    C2H2/2.5/ C2H4/2.5/  
 C2H2+C2H (+M) = i-C4H3 (+M)   8.300E+10    0.899   -363.00 !92WAN
    LOW   /1.240E+31   -4.718    1871.00 /
    TROE   /1.0 100. 5613. 13387. /
    H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ 
    C2H2/2.5/ C2H4/2.5/ 
 C2H2+HCCO = C3H3+CO     1.00E+11  0.000  3000.00 !89MIL/BOW; 83HOM/WEL
!
 C2H2+CH3 = pC3H4+H      2.56E+09  1.10  13644.0  !99DAV/LAW RRKM 1 atm
!C2H2+CH3 = pC3H4+H      2.07E+10  0.85  14415.0  !99DAV/LAW RRKM 2 atm
!C2H2+CH3 = pC3H4+H      2.51E+11  0.56  15453.0  !99DAV/LAW RRKM 5 atm
!
 C2H2+CH3 = aC3H4+H      5.14E+09  0.86  22153.0  !99DAV/LAW RRKM 1 atm
!C2H2+CH3 = aC3H4+H      1.33E+10  0.75  22811.0  !99DAV/LAW RRKM 2 atm
!C2H2+CH3 = aC3H4+H      9.20E+10  0.54  23950.0  !99DAV/LAW RRKM 5 atm
!
 C2H2+CH3 = CH3CCH2      4.99E+22 -4.39  18850.0  !99DAV/LAW RRKM 1 atm
!C2H2+CH3 = CH3CCH2      6.00E+23 -4.60  19571.0  !99DAV/LAW RRKM 2 atm
!C2H2+CH3 = CH3CCH2      7.31E+25 -5.06  21150.0  !99DAV/LAW RRKM 5 atm
!
 C2H2+CH3 = CH3CHCH      3.20E+35 -7.76  13300.0  !99DAV/LAW RRKM 1 atm
!C2H2+CH3 = CH3CHCH      2.40E+38 -8.21  17100.0  !99DAV/LAW RRKM 10 atm
!C2H2+CH3 = CH3CHCH      1.40E+39 -8.06  20200.0  !99DAV/LAW RRKM 100 atm
!
 C2H2+CH3 = aC3H5        2.68E+53 -12.82 35730.0  !99DAV/LAW RRKM 1 atm
!C2H2+CH3 = aC3H5        3.64E+52 -12.46 36127.0  !99DAV/LAW RRKM 2 atm
!C2H2+CH3 = aC3H5        1.04E+51 -11.89 36476.0  !99DAV/LAW RRKM 5 atm
!
! Reactions of Vinylidene
!
 H2CC+H = C2H2+H               1.000E+14    0.000      0.00 !Estimated
 H2CC+OH = CH2CO+H             2.000E+13    0.000      0.00 !Estimated
 H2CC+O2 = HCO+HCO             1.000E+13    0.000      0.00 !99LAS/WAN
 H2CC+C2H2 (+M) = C4H4 (+M)    3.500E+05    2.055  -2400.00 !99LAS/WAN
   LOW /1.400E+60  -12.599    7417.00 /
   TROE /0.980 56.0 580.0 4164.0 /
   H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/  
   C2H2/3.00/ C2H4/3.00/
 H2CC+C2H4 = C4H6              1.00E+12     0.0        0.0  !Estimated
!
! Reactions of CH2CO/HCCOH
!
 CH2CO+H (+M) = CH2CHO (+M)    3.300E+14   -0.060   8500.00 !calculated RRKM
    LOW     /3.800E+41   -7.640   11900.00 /
    TROE    /0.337 1707. 3200. 4131. /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/ C2H2/3.00/ C2H4/3.00/
 CH2CO+H = HCCO+H2             5.000E+13    0.000   8000.00 !GRI
 CH2CO+H = CH3+CO              1.500E+09    1.430   2690.00 !calculated RRKM    
 CH2CO+O = HCCO+OH             1.000E+13    0.000   8000.00 !GRI
 CH2CO+O = CH2+CO2             1.750E+12    0.000   1350.00 !GRI
 CH2CO+OH = HCCO+H2O           7.500E+12    0.000   2000.00 !GRI
 HCCOH+H = CH2CO+H             1.000E+13    0.000      0.00 !GRI
!
! Reactions of C2H3
!
 C2H3+H(+M) = C2H4(+M)         6.080E+12    0.270    280.00 !GRI1.2
    LOW  /  1.400E+30   -3.860    3320.00/
    TROE/  0.7820  207.50  2663.00  6095.00 /
    H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/ 
    C2H2/3.00/ C2H4/3.00/
 C2H3+H = C2H2+H2           9.000E+13    0.000      0.00 !86TSA/HAM
 C2H3+H = H2CC+H2           6.000E+13    0.000      0.00 !Estimated
 C2H3+O = CH2CO+H           4.800E+13    0.000      0.00 !86TSA/HAM
 C2H3+O = CH3+CO            4.800E+13    0.000      0.00 !86TSA/HAM
 C2H3+OH = C2H2+H2O         3.011E+13    0.000      0.00 !86TSA/HAM
 C2H3+O2 = C2H2+HO2         1.340E+06    1.610   -383.40 !96MEB/DIA
 C2H3+O2 = CH2CHO+O         3.000E+11    0.290     11.00 !96MEB/DIA
 C2H3+O2 = HCO+CH2O         4.600E+16   -1.390   1010.00 !96MEB/DIA
 C2H3+HO2 = CH2CHO+OH       1.000E+13    0.000      0.00 !Estimated
 C2H3+H2O2 = C2H4+HO2       1.210E+10    0.000   -596.00 !86TSA/HAM
 C2H3+HCO = C2H4+CO         9.033E+13    0.000      0.00 !86TSA/HAM
 C2H3+HCO = C2H3CHO         1.800E+13    0.00       0.0  !86TSA/HAM
 C2H3+CH3 = C2H2+CH4        3.920E+11    0.000      0.00 !86TSA/HAM
 C2H3+CH3 (+M) = C3H6(+M)   2.500E+13    0.000      0.00 !86TSA/HAM
    LOW  / 4.270E+58  -11.940    9769.80/
    TROE / 0.175  1340.6 60000.0 10139.8 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/C2H2/3.00/ C2H4/3.00/
 C2H3+CH3 = aC3H5+H         1.500E+24   -2.830  18618.0 !86TSA/HAM 
 C2H3+C2H2 = C4H4+H         5.000E+14   -0.710   6700.0 !97WAN/FRE
 C2H3+C2H2 = n-C4H5         9.300E+38   -8.76   12000.  !97WAN/FRE
 C2H3+C2H2 = i-C4H5         1.600E+46  -10.98   18600.  !97WAN/FRE
 C2H3+C2H3 = C4H6           1.500E+42   -8.84   12483.  !97WAN/FRE
 C2H3+C2H3 = i-C4H5+H       1.200E+22   -2.44   13654.  !97WAN/FRE 
 C2H3+C2H3 = n-C4H5+H       2.400E+20   -2.04   15361.  !97WAN/FRE
 C2H3+C2H3 = C2H2+C2H4      9.600E+11    0.00       0.  !NIST DB
!
! Reactions of CH2CHO
!
!CH2CHO = CH3+CO              2.340E+43  -10.099  45600.00 !RRKM 0.026 atm
!CH2CHO = CH3+CO              7.200E+42   -9.521  47000.00 !RRKM 0.5 atm
 CH2CHO = CH3+CO              7.800E+41   -9.147  46900.00 !RRKM 1 atm
!CH2CHO = CH3+CO              1.200E+37   -7.456  46100.00 !RRKM 10 atm
!
 CH2CHO+H (+M) = CH3CHO (+M)  1.000E+14    0.000      0.00 !Calculated RRKM
    LOW     /5.200E+39   -7.297    4700.00 /  
    TROE    /0.55 8900. 4350. 7244. /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ C2H2/3.00/ C2H4/3.00/
 CH2CHO+H = CH3CO+H         5.000E+12    0.000      0.00 !Estimated 
 CH2CHO+H = CH3+HCO         9.000E+13    0.000      0.00 !Estimated
 CH2CHO+H = CH2CO+H2        2.000E+13    0.000   4000.00 !82MIL/MIT
 CH2CHO+O = CH2CO+OH        2.000E+13    0.000   4000.00 !82MIL/MIT
 CH2CHO+OH = CH2CO+H2O      1.000E+13    0.000   2000.00 !82MIL/MIT
 CH2CHO+O2 = CH2CO+HO2      1.400E+11    0.000      0.00 !92BAU/COB
 CH2CHO+O2 = CH2O+CO+OH     1.800E+10    0.000      0.00 !92BAU/COB 
! 
! Reactions of CH3CO 
!
 CH3+CO (+M) = CH3CO (+M)     4.850E+07    1.650   6150.00 !kinf, RRKM
    LOW     /7.800E+30   -5.395    8600.00 /         
    TROE    /0.258 598. 21002. 1773. /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/ C2H2/3.00/ C2H4/3.00/
 CH3CO+H (+M) = CH3CHO (+M) 9.600E+13    0.000      0.00 !86TSA/HAM
    LOW     /3.850E+44   -8.569    5500.00 /  
    TROE    /1.0000 2900. 2900. 5132./
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ C2H2/3.00/ C2H4/3.00/
 CH3CO+H = CH3+HCO          9.600E+13    0.000      0.00 !86TSA/HAM
 CH3CO+O = CH2CO+OH         3.900E+13    0.000      0.00 !92BAU/COB
 CH3CO+O = CH3+CO2          1.500E+14    0.000      0.00 !86TSA/HAM; 92BAU/COB
 CH3CO+OH = CH2CO+H2O       1.200E+13    0.000      0.00 !86TSA/HAM
 CH3CO+OH = CH3+CO+OH       3.000E+13    0.000      0.00 !86TSA/HAM
 CH3CO+HO2 = CH3+CO2+OH     3.000E+13    0.000      0.00 !86TSA/HAM
 CH3CO+H2O2 = CH3CHO+HO2    1.800E+11    0.000   8226.00 !86TSA/HAM
!
! Reactions of CH3CHO
!
 CH3CHO = CH3+HCO           1.280E+15    0.00   77960.0  !NIST DB
 CH3CHO+H = CH3CO+H2        4.100E+09    1.160   2400.00 !92BAU/COB
 CH3CHO+H = CH4+HCO         5.000E+10    0.0       00.00 !67LAM/CHR
 CH3CHO+O = CH3CO+OH        5.800E+12    0.000   1800.00 !92BAU/COB
 CH3CHO+OH = CH3CO+H2O      2.350E+10    0.730  -1110.00 !92BAU/COB
 CH3CHO+CH3 = CH3CO+CH4     2.000E-06    5.600   2460.00 !92BAU/COB
 CH3CHO+HCO = CO+HCO+CH4    8.000E+12    0.000  10400.00 !NIST DB 
 CH3CHO+O2 = CH3CO+HO2      3.000E+13    0.000  39100.00 !92BAU/COB
!
! Reactions of CH2OCH2 (ethylene oxide)
!
 CH2OCH2 = CH3+HCO          3.630E+13    0.000   57200.00 !83LIF/BEN
 CH2OCH2 = CH3CHO           7.260E+13    0.000   57200.00 !83LIF/BEN
 CH2OCH2 = CH4+CO           1.210E+13    0.000   57200.00 !83LIF/BEN
 CH2OCH2+H = CH2OCH+H2      2.000E+13    0.000    8300.00 !83LIF/BEN
 CH2OCH2+H = C2H3+H2O       5.000E+09    0.000    5000.00 !83LIF/BEN
 CH2OCH2+H = C2H4+OH        9.510E+10    0.000    5000.00 !83LIF/BEN
 CH2OCH2+O = CH2OCH+OH      1.910E+12    0.000    5250.00 !78BOG/HAN
 CH2OCH2+OH = CH2OCH+H2O    1.780E+13    0.000    3610.00 !84BOL/KEE
 CH2OCH2+CH3 = CH2OCH+CH4   1.070E+12    0.000   11830.00 !84BOL/KEE
!
! Reactions of CH2OCH 
!
 CH2OCH+M = CH3+CO+M        3.160E+14    0.000   12000.00 !84BOL/KEE
 CH2OCH+M = CH2CHO+M        5.000E+09    0.000       0.00 !96WUR/McG
 CH2OCH+M = CH2CO+H+M       3.000E+13    0.000    8000.00 !83LIF/BEN
!
! Reactions of C2H4
!
 C2H4(+M) = H2+H2CC(+M)     8.000E+12    0.440 88770.00  !GRI###
    LOW  /  7.000E+50   -9.310  99860.00/
    TROE/  0.7345  180.00  1035.00  5417.00 /
    H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
 C2H4+H = C2H5              8.420E+08    1.490   -990.00 !86TSA/HAM
 C2H4+H = C2H3+H2           5.070E+07    1.900  12950.00 !96KNY/BEN
 C2H4+O = C2H3+OH           1.510E+07    1.900   3740.00 !87MAH/MAR
 C2H4+O = CH3+HCO           1.920E+07    1.830    220.00 !87MAH/MAR
 C2H4+O = CH2+CH2O          3.840E+05    1.830    220.00 !87MAH/MAR
 C2H4+OH = C2H3+H2O         3.600E+06    2.000   2500.00 !88LIU/MUL1
 C2H4+HCO = C2H5+CO         1.000E+07    2.000   8000.00 !Estimated
 C2H4+CH = aC3H4+H          3.000E+13    0.000      0.00 !Estimated
 C2H4+CH = pC3H4+H          3.000E+13    0.000      0.00 !Estimated
 C2H4+CH2 = aC3H5+H         2.000E+13    0.000   6000.00 !Estimated
 C2H4+CH2* = H2CC+CH4       5.000E+13    0.000      0.00 !Estimated
 C2H4+CH2* = aC3H5+H        5.000E+13    0.000      0.00 !Estimated
 C2H4+CH3 = C2H3+CH4        2.270E+05    2.000   9200.00 !GRI
 C2H4+CH3 = nC3H7           3.300E+11    0.00    7700.0  !86TSA/HAM
 C2H4+C2H = C4H4+H          1.200E+13    0.000      0.00 !86TSA/HAM
 C2H4+O2 = C2H3+HO2         4.220E+13    0.000  60800.00 !86TSA/HAM
!
!C2H4+C2H3 = C4H7           1.21E+05     2.33    3680.0  !97WAN/FRE RRKM kinf
!C2H4+C2H3 = C4H7           1.23E+35    -7.76    9930.0  !97WAN/FRE RRKM 0.1 atm
 C2H4+C2H3 = C4H7           7.93E+38    -8.47   14220.0  !97WAN/FRE RRKM 1 atm
!C2H4+C2H3 = C4H7           2.99E+36    -7.40   15480.0  !97WAN/FRE RRKM 10 atm
!
 C2H4+HO2 = CH2OCH2+OH      2.820E+12    0.000  17100.00 !92BAU/COB
!
! Reactions of C2H5
!
 C2H5+H(+M) = C2H6(+M)      5.210E+17   -0.990   1580.00 !GRI
      LOW  /  1.990E+41   -7.080   6685.00/
      TROE/  0.8422  125.00  2219.00  6882.00 /
    H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
 C2H5+H = C2H4+H2           2.000E+12    0.000      0.00 !GRI
 C2H5+O = CH3+CH2O          1.604E+13    0.000      0.00 !86TSA/HAM
 C2H5+O = CH3CHO+H          8.020E+13    0.000      0.00 !86TSA/HAM
 C2H5+O2 = C2H4+HO2         2.000E+10    0.000      0.00 !90BOZ/DEA
 C2H5+HO2 = C2H6+O2         3.000E+11    0.000      0.00 !86TSA/HAM
 C2H5+HO2 = C2H4+H2O2       3.000E+11    0.000      0.00 !86TSA/HAM
 C2H5+HO2 = CH3+CH2O+OH     2.400E+13    0.000      0.00 !86TSA/HAM
 C2H5+H2O2 = C2H6+HO2       8.700E+09    0.000    974.00 !86TSA/HAM
 C2H5+CH3(+M) = C3H8(+M)      4.90E+14  -0.50       0.0  !88TSA
    LOW  / 6.80E+61 -13.42   6000.0      /
    TROE / 1.000  1000.0  1433.9  5328.8 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
 C2H5+C2H3(+M) = C4H81(+M)    1.50E+13   0.00       0.0  !86TSA/HAM 
    LOW  / 1.55E+56 -11.79   8984.5      /
    TROE / 0.198  2277.9 60000.0  5723.2 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!C2H5+C2H3 = aC3H5+CH3        8.00E+25  -3.46   11775.0  !86TSA/HAM RRKM 0.1 atm
 C2H5+C2H3 = aC3H5+CH3        3.90E+32  -5.22   19747.0  !86TSA/HAM RRKM 1 atm
!C2H5+C2H3 = aC3H5+CH3        3.90E+29  -4.24   22311.0  !86TSA/HAM RRKM 10 atm
!
! Reactions of C2H6
!
 C2H6+H = C2H5+H2               1.150E+08    1.900   7530.00 !GRI
 C2H6+O = C2H5+OH               8.980E+07    1.920   5690.00 !GRI
 C2H6+OH = C2H5+H2O             3.540E+06    2.120    870.00 !GRI
 C2H6+CH2* = C2H5+CH3           4.000E+13    0.000   -550.00 !GRI
 C2H6+CH3 = C2H5+CH4            6.140E+06    1.740  10450.00 !GRI
!
! Reactions of C3H2 
!
 C3H2+H = C3H3                1.00E+13    0.0      0.0  !Estimated
 C3H2+O = C2H2+CO             6.80E+13    0.0      0.0  !83WAR/BOC
 C3H2+OH = HCO+C2H2           6.80E+13    0.0      0.0  !83WAR/BOC
 C3H2+O2 = HCCO+H+CO          2.00E+12    0.0   1000.0  !95PAU/VOL
 C3H2+CH = C4H2+H             5.00E+13    0.0      0.0  !Estimated
 C3H2+CH2 = n-C4H3+H          5.00E+13    0.0      0.0  !Estimated
 C3H2+CH3 = C4H4+H            5.00E+12    0.0      0.0  !Estimated
 C3H2+HCCO = n-C4H3+CO        1.00E+13    0.0      0.0  !Estimated
 C3H2+C3H3 = A1-              7.00E+12    0.0      0.0  !Estimated
!
! Reactions of C3H3
!
 C3H3+H = pC3H4               1.500E+13   0.0      0.0  !Estimated
 C3H3+H = aC3H4               2.500E+12   0.0      0.0  !Estimated
 C3H3+H = C3H2+H2             5.00E+13    0.0   1000.0  !95PAU/VOL
 C3H3+O = CH2O+C2H            2.00E+13    0.0      0.0  !89MIL/BOW
 C3H3+OH = C3H2+H2O           2.00E+13    0.0      0.0  !89MIL/BOW
 C3H3+O2 = CH2CO+HCO          3.00E+10    0.0   2868.0  !88SLA/GUT
 C3H3+HO2 = OH+CO+C2H3        8.00E+11    0.0      0.0  !Estimated
 C3H3+HO2 = aC3H4+O2          3.00E+11    0.0      0.0  !99DAV/LAW 
 C3H3+HO2 = pC3H4+O2          2.50E+12    0.0      0.0  !99DAV/LAW 
 C3H3+HCO = aC3H4+CO          2.50E+13    0.0      0.0  !Estimated
 C3H3+HCO = pC3H4+CO          2.50E+13    0.0      0.0  !Estimated
 C3H3+HCCO = C4H4+CO          2.50E+13    0.0      0.0  !Estimated
 C3H3+CH = i-C4H3+H           5.00E+13    0.0      0.0  !Estimated
 C3H3+CH2 = C4H4+H            5.00E+13    0.0      0.0  !92MIL/MEL
 C3H3+CH3 (+M) = C4H612 (+M)  1.50E+12    0.0      0.0  !97WAN/FRE
   LOW /2.60E+57 -11.94 9770.0/
   TROE /0.175 1340.6 60000.0 9769.8/
   H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
 C3H3+C3H3 = A1-+H            5.000E+12   0.0      0.0  !97WAN/FRE
 C3H3+C3H3 = A1               2.000E+12   0.0      0.0  !97WAN/FRE
 C3H3+C2H4 = C5H6+H           5.00E+14    0.0  25000.0  != C3H5+C2H2
 C3H3+C4H4 = A1CH2            6.53E+5    1.28  -4611.0  !97JON/BAC
 C3H3+C4H6 = A1CH3+H          6.53E+5    1.28  -4611.0  != C3H3+C4H4
!
! Reactions of aC3H4
!
 aC3H4+H = C3H3+H2            1.30E+06    2.0   5500.0  !99DAV/LAW
!
 aC3H4+H = CH3CHCH            5.40E+29   -6.09 16300.0  !99DAV/LAW RRKM 1 atm
!aC3H4+H = CH3CHCH            2.60E+31   -6.23 18700.0  !99DAV/LAW RRKM 10 atm
!aC3H4+H = CH3CHCH            3.20E+31   -5.88 21500.0  !99DAV/LAW RRKM 100 atm
!
 aC3H4+H = CH3CCH2            9.46E+42   -9.43 11190.0  !99DAV/LAW RRKM 1 atm
!aC3H4+H = CH3CCH2            8.47E+43   -9.59 12462.0  !99DAV/LAW RRKM 2 atm
!aC3H4+H = CH3CCH2            6.98E+44   -9.70 14032.0  !99DAV/LAW RRKM 5 atm
!
 aC3H4+H = aC3H5              1.52E+59  -13.54 26949.0  !99DAV/LAW RRKM 1 atm
!aC3H4+H = aC3H5              3.78E+57  -12.98 26785.0  !99DAV/LAW RRKM 2 atm
!aC3H4+H = aC3H5              7.34E+54  -12.09 26187.0  !99DAV/LAW RRKM 5 atm
!
 aC3H4+O = C2H4+CO            2.00E+07    1.8   1000.0  !98DAV/LAW
 aC3H4+OH = C3H3+H2O          5.30E+06    2.0   2000.0  !97WAN/FRE
 aC3H4+CH3 = C3H3+CH4         1.30E+12   0.00   7700.0  !87WU/KER 
 aC3H4+C2H = C2H2+C3H3        1.00E+13    0.0      0.0  !97WAN/FRE
!
! Reactions of pC3H4
!
!pC3H4 = cC3H4               1.73E+12   0.31   60015.0  !99DAV/LAW RRKM kinf
!pC3H4 = cC3H4               2.84E+45 -10.45   69284.0  !99DAV/LAW RRKM 0.4 atm
 pC3H4 = cC3H4               1.20E+44  -9.92   69250.0  !99DAV/LAW RRKM 1 atm
!pC3H4 = cC3H4               5.47E+42  -9.43   69089.0  !99DAV/LAW RRKM 2 atm
!pC3H4 = cC3H4               3.92E+40  -8.69   68706.0  !99DAV/LAW RRKM 5 atm
!
!pC3H4 = aC3H4               5.81E+62 -14.63   91211.0  !99DAV/LAW RRKM 0.4 atm 
 pC3H4 = aC3H4               5.15E+60 -13.93   91117.0  !99DAV/LAW RRKM 1 atm 
!pC3H4 = aC3H4               7.64E+59 -13.59   91817.0  !99DAV/LAW RRKM 2 atm 
!pC3H4 = aC3H4               3.12E+58 -13.07   92680.0  !99DAV/LAW RRKM 5 atm 
!
 pC3H4+H = aC3H4+H           6.27E+17  -0.91   10079.0  !99DAV/LAW RRKM 1 atm
!pC3H4+H = aC3H4+H           1.50E+18  -1.00   10756.0  !99DAV/LAW RRKM 2 atm
!pC3H4+H = aC3H4+H           1.93E+18  -1.01   11523.0  !99DAV/LAW RRKM 5 atm
!
 pC3H4+H = CH3CCH2           1.66E+47 -10.58   13690.0  !99DAV/LAW RRKM 1 atm
!pC3H4+H = CH3CCH2           5.04E+47 -10.61   14707.0  !99DAV/LAW RRKM 2 atm
!pC3H4+H = CH3CCH2           9.62E+47 -10.55   15910.0  !99DAV/LAW RRKM 5 atm
!
 pC3H4+H = CH3CHCH           5.50E+28 -5.74     4300.0  !99DAV/LAW RRKM 1 atm
!pC3H4+H = CH3CHCH           1.00E+34 -6.88     8900.0  !99DAV/LAW RRKM 10 atm
!pC3H4+H = CH3CHCH           9.70E+37 -7.63    13800.0  !99DAV/LAW RRKM 100 atm
!
 pC3H4+H = aC3H5             4.91E+60 -14.37   31644.0  !99DAV/LAW RRKM 1 atm
!pC3H4+H = aC3H5             3.04E+60 -14.19   32642.0  !99DAV/LAW RRKM 2 atm
!pC3H4+H = aC3H5             9.02E+59 -13.89   33953.0  !99DAV/LAW RRKM 5 atm
!
 pC3H4+H = C3H3+H2           1.30E+06   2.0     5500.0  !97WAN/FRE
 pC3H4+C3H3 = aC3H4+C3H3     6.14E+06   1.74   10450.   !Estimated
 pC3H4+O = HCCO+CH3          0.73E+13   0.0     2250.0  !96ADU/BLU#
 pC3H4+O = C2H4+CO           1.00E+13   0.0     2250.0  !96ADU/BLU#
 pC3H4+OH = C3H3+H2O         1.00E+06   2.0      100.0  !98DAV/LAW 
 pC3H4+C2H = C2H2+C3H3       1.00E+13   0.0        0.0  !Estimated
 pC3H4+CH3 = C3H3+CH4        1.80E+12   0.0     7700.0  !87WU/KER
!
! Reactions of cC3H4
!
!cC3H4 = aC3H4               1.98E+12   0.56   42240.0  !99DAV/LAW RRKM kinf
!cC3H4 = aC3H4               7.59E+40  -9.07   48831.0  !99DAV/LAW RRKM 0.4 atm
 cC3H4 = aC3H4               4.89E+41  -9.17   49594.0  !99DAV/LAW RRKM 1 atm
!cC3H4 = aC3H4               8.81E+41  -9.15   50073.0  !99DAV/LAW RRKM 2 atm
!cC3H4 = aC3H4               4.33E+41  -8.93   50475.0  !99DAV/LAW RRKM 5 atm
!
! Reactions of allyl
!
 aC3H5+H(+M) = C3H6(+M)      2.00E+14   0.00      0.0  !91TSA
    LOW  / 1.33E+60 -12.00   5967.8      /
    TROE / 0.020  1096.6  1096.6  6859.5 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
 aC3H5+H = aC3H4+H2          1.80E+13   0.00      0.0  !91TSA 
 aC3H5+O = C2H3CHO+H         6.00E+13   0.00      0.0  !91TSA 
!
!aC3H5+OH = C2H3CHO+H+H      5.30E+37  -6.71  29306.0  !91TSA RRKM 0.1 atm
 aC3H5+OH = C2H3CHO+H+H      4.20E+32  -5.16  30126.0  !91TSA RRKM 1 atm
!aC3H5+OH = C2H3CHO+H+H      1.60E+20  -1.56  26330.0  !91TSA RRKM 10 atm
!
 aC3H5+OH = aC3H4+H2O        6.00E+12   0.00      0.0  !91TSA
!
 aC3H5+O2 = aC3H4+HO2        4.99E+15  -1.40  22428.0  !93BOZ/DEA RRKM 1 atm
!aC3H5+O2 = aC3H4+HO2        2.18E+21  -2.85  30755.0  !93BOZ/DEA RRKM 10 atm
!
 aC3H5+O2 = CH3CO+CH2O       1.19E+15  -1.01  20128.0  !93BOZ/DEA RRKM 1 atm
!aC3H5+O2 = CH3CO+CH2O       7.14E+15  -1.21  21046.0  !93BOZ/DEA RRKM 10 atm
!
 aC3H5+O2 = C2H3CHO+OH       1.82E+13  -0.41  22859.0  !93BOZ/DEA RRKM 1 atm
!aC3H5+O2 = C2H3CHO+OH       2.47E+13  -0.45  23017.0  !93BOZ/DEA RRKM 10 atm
!
 aC3H5+HO2 = C3H6+O2         2.66E+12   0.00      0.0  !92BAU/COB 
 aC3H5+HO2 = OH+C2H3+CH2O    6.60E+12   0.00      0.0  !92BAU/COB
 aC3H5+HCO = C3H6+CO         6.00E+13   0.00      0.0  !91TSA
!
 aC3H5+CH3(+M) = C4H81(+M)    1.00E+14  -0.32   -262.3  !91TSA
   LOW  / 3.91E+60 -12.81   6250.0      /
   TROE / 0.104  1606.0 60000.0  6118.4 /
   H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
 aC3H5+CH3 = aC3H4+CH4       3.00E+12  -0.32   -131.0  !91TSA
!
 aC3H5 = CH3CCH2             7.06E+56 -14.08  75868.0  !99DAV/LAW RRKM 1 atm
!aC3H5 = CH3CCH2             4.80E+55 -13.59  75949.0  !99DAV/LAW RRKM 2 atm
!aC3H5 = CH3CCH2             4.86E+53 -12.81  75883.0  !99DAV/LAW RRKM 5 atm
!
 aC3H5 = CH3CHCH             5.00E+51 -13.02  73300.0  !99DAV/LAW RRKM 1 atm
!aC3H5 = CH3CHCH             9.70E+48 -11.73  73700.0  !99DAV/LAW RRKM 10 atm
!aC3H5 = CH3CHCH             4.86E+44 -9.84   73400.0  !99DAV/LAW RRKM 100 atm
!
 aC3H5+C2H2 = C5H6+H        3.970E+14  0.000  24892.0  !91TSA
!
! Reactions of CH3CCH2 
!
 CH3CCH2 = CH3CHCH            1.50E+48 -12.71  53900.0  !99DAV/LAW RRKM 1 atm
!CH3CCH2 = CH3CHCH            5.10E+52 -13.37  57200.0  !99DAV/LAW RRKM 10 atm
!CH3CCH2 = CH3CHCH            5.80E+51 -12.43  59200.0  !99DAV/LAW RRKM 100 atm
!
 CH3CCH2+H = pC3H4+H2         3.34E+12   0.00      0.0  !99DAV/LAW 
 CH3CCH2+O = CH3+CH2CO        6.00E+13   0.00      0.0  !Estimated
 CH3CCH2+OH = CH3+CH2CO+H     5.00E+12   0.00      0.0  !Estimated
 CH3CCH2+O2 = CH3CO+CH2O      1.00E+11   0.00      0.0  !99DAV/LAW 
 CH3CCH2+HO2 = CH3+CH2CO+OH   2.00E+13   0.00      0.0  !Estimated
 CH3CCH2+HCO = C3H6+CO        9.00E+13   0.00      0.0  !Estimated
 CH3CCH2+CH3 = pC3H4+CH4      1.00E+11   0.00      0.0  !99DAV/LAW 
!
! Reactions of CH3CHCH 
!
 CH3CHCH+H = pC3H4+H2         3.34E+12   0.00      0.0  ! = CH3CCH2+H 
 CH3CHCH+O = C2H4+HCO         6.00E+13   0.00      0.0  !Estimated
 CH3CHCH+OH = C2H4+HCO+H      5.00E+12   0.00      0.0  !Estimated
 CH3CHCH+O2 = CH3CHO+HCO      1.00E+11   0.00      0.0  != CH3CCH2+O2
 CH3CHCH+HO2 = C2H4+HCO+OH    2.00E+13   0.00      0.0  != CH3CCH2+HO2
 CH3CHCH+HCO = C3H6+CO        9.00E+13   0.00      0.0  != CH3CCH2+HCO
 CH3CHCH+CH3 = pC3H4+CH4      1.00E+11   0.00      0.0  != CH3CCH2+CH3
!
! Reactions of C3H6
!
 C3H6+H(+M) = nC3H7(+M)       1.33E+13   0.00   3260.7  !91TSA
    LOW  / 6.26E+38  -6.66   7000.0      /
    TROE / 1.000  1000.0  1310.0 48097.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
 C3H6+H(+M) = iC3H7(+M)       1.33E+13   0.00   1559.8  !91TSA
    LOW  / 8.70E+42  -7.50   4721.8      /
    TROE / 1.000  1000.0   645.4  6844.3 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!
!C3H6+H = C2H4+CH3            8.80E+16  -1.05   6461.0  !91TSA RRKM 0.1 atm
 C3H6+H = C2H4+CH3            8.00E+21  -2.39  11180.0  !91TSA RRKM 1 atm
!C3H6+H = C2H4+CH3            3.30E+24  -3.04  15610.0  !91TSA RRKM 10 atm
!
 C3H6+H = aC3H5+H2            1.73E+05   2.50   2490.0  !91TSA 
 C3H6+H = CH3CCH2+H2          4.00E+05   2.50   9790.0  !91TSA 
 C3H6+H = CH3CHCH+H2          8.04E+05   2.50  12283.0  !91TSA 
 C3H6+O = CH2CO+CH3+H         0.80E+08   1.65    327.0  !91TSA 
 C3H6+O = C2H3CHO+H+H         0.40E+08   1.65    327.0  !91TSA  
 C3H6+O = C2H5+HCO            3.50E+07   1.65   -972.0  !91TSA 
 C3H6+O = aC3H5+OH            1.80E+11   0.70   5880.0  !91TSA 
 C3H6+O = CH3CCH2+OH          6.00E+10   0.70   7630.0  !91TSA 
 C3H6+O = CH3CHCH+OH          1.21E+11   0.70   8960.0  !91TSA 
 C3H6+OH = aC3H5+H2O          3.10E+06   2.00   -298.0  !91TSA 
 C3H6+OH = CH3CCH2+H2O        1.10E+06   2.00   1450.0  !91TSA 
 C3H6+OH = CH3CHCH+H2O        2.14E+06   2.00   2778.0  !91TSA 
 C3H6+HO2 = aC3H5+H2O2        9.60E+03   2.60  13910.0  !91TSA 
 C3H6+CH3 = aC3H5+CH4         2.20E+00   3.50   5675.0  !91TSA 
 C3H6+CH3 = CH3CCH2+CH4       8.40E-01   3.50  11660.0  !91TSA 
 C3H6+CH3 = CH3CHCH+CH4       1.35E+00   3.50  12848.0  !91TSA 
 C3H6+C2H3 = C4H6+CH3         7.23E+11   0.0    5000.0  !91TSA 
 C3H6+HO2 = CH3CHOCH2+OH      1.090E+12  0.000 14200.00 !85BAL/HIS
!
! Reactions of C2H3CHO 
!
 C2H3CHO+H = C2H4+HCO         1.08E+11   0.454  5820.00 != C2H4+H 
 C2H3CHO+O = C2H3+OH+CO       3.00E+13   0.00   3540.00 != CH2O+O
 C2H3CHO+O = CH2O+CH2CO       1.90E+07   1.80    220.00 != C2H4+O
 C2H3CHO+OH = C2H3+H2O+CO     3.43E+09   1.18   -447.00 != CH2O+OH
 C2H3CHO+CH3 = CH2CHCO+CH4    2.00E+13   0.000 11000.00 !Estimated
 C2H3CHO+C2H3 = C4H6+HCO      2.80E+21  -2.440 14720.00 != C2H4+C2H3
!
! Reactions of CH2CHCO 
!
 CH2CHCO = C2H3+CO            1.00E+14   0.000 27000.00 !Estimated
 CH2CHCO+H = C2H3CHO          1.00E+14   0.000    00.00 !Estimated
!
! Reactions of CH3CHOCH2 
!
 CH3CHOCH2 = CH3CH2CHO        1.840E+14  0.000 58500.00 !77FLO
 CH3CHOCH2 = C2H5+HCO         2.450E+13  0.000 58500.00 !94LIF/TAM
 CH3CHOCH2 = CH3+CH2CHO       2.450E+13  0.000 58800.00 !94LIF/TAM
 CH3CHOCH2 = CH3COCH3         1.010E+14  0.000 59900.00 !77FLO
 CH3CHOCH2 = CH3+CH3CO        4.540E+13  0.000 59900.00 !94LIF/TAM
!
! Reactions of iC3H7
!
 iC3H7+H(+M) = C3H8(+M)       2.40E+13   0.00      0.0  !88TSA
    LOW  / 1.70E+58 -12.08  11263.7      /
    TROE / 0.649  1213.1  1213.1 13369.7 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!iC3H7+H = CH3+C2H5           5.90E+23  -2.81  10009.0  !88TSA RRKM 0.1 atm
 iC3H7+H = CH3+C2H5           1.40E+28  -3.94  15916.0  !88TSA RRKM 1 atm
!iC3H7+H = CH3+C2H5           4.00E+24  -2.83  17542.0  !88TSA RRKM 10 atm
!
 iC3H7+H = C3H6+H2            3.20E+12   0.00      0.0  !88TSA
 iC3H7+O = CH3CHO+CH3         9.60E+13   0.00      0.0  !88TSA
 iC3H7+OH = C3H6+H2O          2.40E+13   0.00      0.0  !88TSA
 iC3H7+O2 = C3H6+HO2          1.30E+11   0.00      0.0  !88TSA 
 iC3H7+HO2 = CH3CHO+CH3+OH    2.40E+13   0.00      0.0  !88TSA 
 iC3H7+HCO = C3H8+CO          1.20E+14   0.00      0.0  !88TSA
 iC3H7+CH3 = CH4 + C3H6       2.20E+14  -0.68      0.0  !88TSA
!
! Reactions of nC3H7
!
 nC3H7+H(+M) = C3H8(+M)       3.60E+13   0.00      0.0  !88TSA
    LOW  / 3.01E+48  -9.32   5833.6      /
    TROE / 0.498  1314.0  1314.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
!nC3H7+H = C2H5+CH3           3.40E+18  -1.33    5386.0 !88TSA RRKM 0.1 atm
 nC3H7+H = C2H5+CH3           3.70E+24  -2.92   12505.0 !88TSA RRKM 1 atm
!nC3H7+H = C2H5+CH3           3.10E+27  -3.59   19059.0 !88TSA RRKM 10 atm
!
 nC3H7+H = C3H6+H2            1.80E+12   0.00      0.0  !88TSA 
 nC3H7+O = C2H5+CH2O          9.60E+13   0.00      0.0  !88TSA
 nC3H7+OH = C3H6+H2O          2.40E+13   0.00      0.0  !88TSA
 nC3H7+O2 = C3H6+HO2          9.00E+10   0.00      0.0  !88TSA
 nC3H7+HO2 = C2H5+OH+CH2O     2.40E+13   0.00      0.0  !88TSA
 nC3H7+HCO = C3H8+CO          6.00E+13   0.00      0.0  !88TSA
 nC3H7+CH3 = CH4+C3H6         1.10E+13   0.00      0.0  !88TSA
!
! Reactions of C3H8
!
 C3H8+H = H2+nC3H7            1.30E+06   2.54   6756.0  !88TSA 
 C3H8+H = H2+iC3H7            1.30E+06   2.40   4471.0  !88TSA 
 C3H8+O = nC3H7+OH            1.90E+05   2.68   3716.0  !88TSA 
 C3H8+O = iC3H7+OH            4.76E+04   2.71   2106.0  !88TSA 
 C3H8+OH = nC3H7+H2O          1.40E+03   2.66    527.0  !88TSA 
 C3H8+OH = iC3H7+H2O          2.70E+04   2.39    393.0  !88TSA 
 C3H8+O2 = nC3H7+HO2          4.00E+13   0.00  50930.0  !88TSA 
 C3H8+O2 = iC3H7+HO2          4.00E+13   0.00  47590.0  !88TSA 
 C3H8+HO2 = nC3H7+H2O2        4.76E+04   2.55  16490.0  !88TSA 
 C3H8+HO2 = iC3H7+H2O2        9.64E+03   2.60  13910.0  !88TSA 
 C3H8+CH3 = CH4+nC3H7         9.03E-01   3.65   7153.0  !88TSA 
 C3H8+CH3 = CH4+iC3H7         1.51E+00   3.46   5480.0  !88TSA 
!
! Reactions of C4H2
!
 C4H2+H = n-C4H3            1.10E+42   -8.72 15300.0  !97WAN/FRE
 C4H2+H = i-C4H3            1.10E+30   -4.92 10800.0  !97WAN/FRE
 C4H2+O = C3H2+CO           2.70E+13    0.0   1720.0  !84WAR
 C4H2+OH = H2C4O+H          6.60E+12    0.0   -410.0  !84PER
 C4H2+C2H = C6H2+H          9.60E+13    0.0      0.0  != C2H2 + C2H
 C4H2+C2H = C6H3            4.50E+37   -7.68  7100.0  !97WAN/FRE
!
! Reactions of H2C4O
!
 H2C4O+H = C2H2+HCCO        5.00E+13    0.0   3000.0  !92MIL/MEL
 H2C4O+OH = CH2CO+HCCO      1.00E+07    2.0   2000.0  !92MIL/MEL
!
! Reactions of n-C4H3
!
 n-C4H3 = i-C4H3          4.10E+43   -9.49 53000.0  !92WAN
 n-C4H3+H = i-C4H3+H      2.50E+20   -1.67 10800.0  !92WAN
 n-C4H3+H = C2H2+H2CC     6.30E+25   -3.34 10014.0  !92WAN
 n-C4H3+H = C4H4          2.00E+47  -10.26 13070.0  !92WAN
 n-C4H3+H = C4H2+H2       3.00E+13    0.00     0.0  != 0.5*C2H3+H
 n-C4H3+OH = C4H2+H2O     2.00E+12    0.00     0.0  != 0.5*C2H3+OH
 n-C4H3+C2H2 = l-C6H4+H   2.50E+14   -0.56 10600.   !97WAN/FRE
 n-C4H3+C2H2 = A1-        9.60E+70  -17.77 31300.   !97WAN/FRE
 n-C4H3+C2H2 = c-C6H4+H   6.90E+46  -10.01 30100.   !97WAN/FRE
!
! Reactions of i-C4H3
!
 i-C4H3+H = C2H2+H2CC     2.80E+23   -2.55 10780.0  !92WAN
 i-C4H3+H = C4H4          3.40E+43   -9.01 12120.0  !92WAN
 i-C4H3+H = C4H2+H2       6.00E+13    0.00     0.0  != C2H3+H
 i-C4H3+OH = C4H2+H2O     4.00E+12    0.00     0.0  != C2H3+OH
 i-C4H3+O2 = HCCO+CH2CO   7.86E+16   -1.80     0.0  !89SLA/BER
!
! Reactions of C4H4
!
 C4H4+H = n-C4H5          1.30E+51  -11.92 16500.   !97WAN/FRE
 C4H4+H = i-C4H5          4.90E+51  -11.92 17700.   !97WAN/FRE 
 C4H4+H = n-C4H3+H2       6.65E+05    2.53 12240.0  !97WAN/FRE
 C4H4+H = i-C4H3+H2       3.33E+05    2.53  9240.0  !97WAN/FRE
 C4H4+OH = n-C4H3+H2O     3.10E+07    2.0   3430.0  !97WAN/FRE
 C4H4+OH = i-C4H3+H2O     1.55E+07    2.0    430.0  !97WAN/FRE
 C4H4+O = C3H3+HCO        6.0E+08     1.45  -860.0  != C4H6+O
 C4H4+C2H = l-C6H4+H      1.20E+13    0.0      0.0  != C2H+C2H4
!
! Reactions of n-C4H5
!
 n-C4H5 = i-C4H5             1.5E+67  -16.89  59100. !97WAN/FRE
 n-C4H5+H = i-C4H5+H         3.1E+26   -3.35  17423. !97WAN/FRE
 n-C4H5+H = C4H4+H2          1.5E+13    0.00      0. !97WAN/FRE
 n-C4H5+OH = C4H4+H2O        2.0E+12    0.00      0. !97WAN/FRE
 n-C4H5+HCO = C4H6+CO        5.00E+12   0.0       0. !97WAN/FRE
 n-C4H5+HO2 = C2H3+CH2CO+OH  6.60E+12   0.0       0. !97WAN/FRE
 n-C4H5+H2O2 = C4H6+HO2      1.21E+10   0.0    -596. !97WAN/FRE
 n-C4H5+HO2 = C4H6+O2        6.00E+11   0.0       0. !Estimated
 n-C4H5+O2 = CH2CHCHCHO+O    3.00E+11   0.29     11. != C2H3+O2=>CH2CHO+O
 n-C4H5+O2 = HCO+C2H3CHO     9.20E+16  -1.39   1010. != C2H3+O2=>HCO+CH2O
 n-C4H5+C2H2 = A1+H          1.60E+16  -1.33   5400. !97WAN/FRE 
 n-C4H5+C2H3 = A1+H2         1.84E-13   7.07  -3611. !89WES/DEA
 n-C4H5+C4H4 =A1C2H3+H       3.160E+11   0.0    600. !84COL/BIT
!
! Reactions of i-C4H5
!
 i-C4H5+H = C4H4+H2          3.0E+13    0.00      0. !97WAN/FRE
 i-C4H5+H = C3H3+CH3         2.00E+13   0.0    2000.0!Estimated
 i-C4H5+OH = C4H4+H2O        4.0E+12    0.00      0. !97WAN/FRE
 i-C4H5+HCO = C4H6+CO        5.00E+12   0.0       0. !97WAN/FRE
 i-C4H5+HO2 = C4H6+O2        6.000E+11  0.00      0. !Estimated
 i-C4H5+HO2 = C2H3+CH2CO+OH  6.60E+12   0.0       0. !97WAN/FRE
 i-C4H5+H2O2 = C4H6+HO2      1.21E+10   0.000  -596. !97WAN/FRE
 i-C4H5+O2 = CH2CO+CH2CHO    2.16E+10   0.00   2500. != C4H5-2+O2
 i-C4H5+C4H4 =A1C2H3+H       5.000E+14   0.0  25000. !Estimated
!
! Reactions of C4H5-2
!
 C4H5-2 = i-C4H5             1.5E+67  -16.89  59100. != n-C4H5=>i-C4H5
 C4H5-2+H = i-C4H5+H         3.1E+26   -3.35  17423. != n-C4H5+H=>i-C4H5+H
 C4H5-2+HO2 = OH+C2H2+CH3CO  8.00E+11   0.0       0. !Estimated
 C4H5-2+O2 = CH3CO+CH2CO     2.16E+10   0.00   2500. !92SLA/BEN
 C4H5-2+C2H2 = A1+H          5.00E+14   0.00  25000.0!Estimated
 C4H5-2+C2H4 = C5H6+CH3      5.00E+14   0.000 25000.0!Estimated
 C4H5-2+C4H4 =A1C2H3+H       5.00E+14   0.0   25000. !Estimated
!
! Reactions of 1,3-C4H6
!
 C4H6 = i-C4H5+H           5.70E+36  -6.27 112353.  !97WAN/FRE
 C4H6 = n-C4H5+H           5.30E+44  -8.62 123608.  !97WAN/FRE
 C4H6 = C4H4+H2            2.50E+15   0.0   94700.0 !96HID/HIG
 C4H6+H = n-C4H5+H2        1.33E+06   2.53  12240.0 != C2H4+H
 C4H6+H = i-C4H5+H2        6.65E+05   2.53   9240.0 !Estimated
 C4H6+H = C2H4+C2H3        1.46E+30  -4.34  21647.0 !97WAN/FRE 1 atm
!C4H6+H = C2H4+C2H3        5.45E+30  -4.51  21877.0 !97WAN/FRE 10 atm
 C4H6+H = pC3H4+CH3        2.00E+12   0.0    7000.0 !Estimated
 C4H6+H = aC3H4+CH3        2.00E+12   0.0    7000.0 !Estimated
 C4H6+O = n-C4H5+OH        0.75E+07   1.900  3740   != C2h4+O
 C4H6+O = i-C4H5+OH        0.75E+07   1.900  3740   != C2h4+O
 C4H6+O = CH3CHCHCO+H      1.5E+08    1.45  -860.0  !93ADU/FON#
 C4H6+O = CH2CHCHCHO+H     4.5E+08    1.45  -860.0  !93ADU/FON#
 C4H6+OH = n-C4H5+H2O      6.20E+06   2.0    3430.0 !88LIU/MUL
 C4H6+OH = i-C4H5+H2O      3.10E+06   2.0     430.0 !Estimated
 C4H6+HO2 = C4H6O25+OH     1.20E+12   0.0   14000.0 !Estimated
 C4H6+HO2 = C2H3CHOCH2+OH  4.80E+12   0.0   14000.0 !Estimated
 C4H6+CH3 = n-C4H5+CH4     2.00E+14   0.0   22800.0 !96HID/HIG
 C4H6+CH3 = i-C4H5+CH4     1.00E+14   0.0   19800.0 !96HID/HIG
 C4H6+C2H3 = n-C4H5+C2H4   5.00E+13   0.0   22800.0 !96HID/HIG
 C4H6+C2H3 = i-C4H5+C2H4   2.50E+13   0.0   19800.0 !96HID/HIG
 C4H6+C3H3 = n-C4H5+aC3H4  1.00E+13   0.0   22500.0 !96HID/HIG
 C4H6+C3H3 = i-C4H5+aC3H4  0.50E+13   0.0   19500.0 !96HID/HIG
 C4H6+aC3H5 = n-C4H5+C3H6  1.00E+13   0.0   22500.0 !Estimated
 C4H6+aC3H5 = i-C4H5+C3H6  0.50E+13   0.0   19500.0 !Estimated
 C4H6+C2H3 = A1+H2+H       5.62E+11   0.0   3240.   !95LEU/LIN
!
! Reactions of 1,2-C4H6
!
 C4H612 = i-C4H5+H         4.20E+15   0.0   92600.0  !95LEU/LIN
 C4H612+H = C4H6+H         2.00E+13   0.0    4000.0  !Estimated
 C4H612+H = i-C4H5+H2      1.70E+05   2.5    2490.0  != C3H6+H
 C4H612+H = aC3H4+CH3      2.00E+13   0.0    2000.0  !97WAN/FRE
 C4H612+H = pC3H4+CH3      2.00E+13   0.0    2000.0  !97WAN/FRE
 C4H612+CH3 = i-C4H5+CH4   7.00E+13   0.0   18500.0  !88KER/SIN
 C4H612+O = CH2CO+C2H4     1.20E+08   1.65    327.0  != C3H6+O
 C4H612+O = i-C4H5+OH      1.80E+11   0.70   5880.0  != C3H6+O
 C4H612+OH = i-C4H5+H2O    3.10E+06   2.00   -298.0  != C3H6+OH
 C4H612 = C4H6             3.00E+13   0.0   65000.0  !96HID/HIG
!
! Reactions of C4H6-2
!
 C4H6-2 = C4H6             3.00E+13   0.000 65000.00 !96HID/HIG
 C4H6-2 = C4H612           3.00E+13   0.000 67000.00 !96HID/HIG
 C4H6-2+H = C4H612+H       2.00E+13   0.0    4000.0  !Estimated
 C4H6-2+H = C4H5-2+H2      3.40E+05   2.5    2490.0  != C3H6+H 
 C4H6-2+H = CH3+pC3H4      2.60E+5    2.500  1000.00 !96HID/HIG
 C4H6-2 = H+C4H5-2         5.00E+15   0.000 87300.00 !96HID/HIG
 C4H6-2+CH3 = C4H5-2+CH4   1.40E+14   0.0   18500.0  !Estimated
!
! Reactions of C4H6O isomers
!
 C2H3CHOCH2 = C4H6O23      2.00E+14   0.0   50600.00 !76CRA/LUT
 C4H6O23 = CH3CHCHCHO      1.95E+13   0.0   49400.00 !89LIF/BID
 C4H6O23 = C2H4+CH2CO      5.75E+15   0.0   69300.00 !89LIF/BID
 C4H6O23 = C2H2+CH2OCH2    1.00E+16   0.0   75800.00 !89LIF/BID
 C4H6O25 = C4H4O+H2        5.30E+12   0.0   48500.00 !86LIF/BID1
!
! Reactions of C4H4O
!
 C4H4O = CO+pC3H4          1.78E+15   0.0   77500.00 !86LIF/BID2
 C4H4O = C2H2+CH2CO        5.01E+14   0.0   77500.00 !86LIF/BID2
!
! Reactions of CH3CHCHCHO
! 
 CH3CHCHCHO = C3H6+CO              3.90E+14   0.0   69000.0 != HCCCHO=>C2H2+CO
 CH3CHCHCHO+H = CH2CHCHCHO+H2      1.70E+5    2.5   2490.00 != C3H6+H=>aC3H5+H2
 CH3CHCHCHO+H = CH3CHCHCO+H2       1.00E+5    2.5   2490.00 !Estimated
 CH3CHCHCHO+H = CH3+C2H3CHO        4.00E+21  -2.390 11180.00!= C3H6+H=>C2H4+CH3
 CH3CHCHCHO+H = C3H6+HCO           4.00E+21  -2.390 11180.00!= C3H6+H=>C2H4+CH3
 CH3CHCHCHO+CH3 = CH2CHCHCHO+CH4   2.10E+00   3.50   5675.0 != C3H6+CH3=>aC3H5+CH4
 CH3CHCHCHO+CH3 = CH3CHCHCO+CH4    1.10E+00   3.50   5675.0 !Estimated
 CH3CHCHCHO+C2H3 = CH2CHCHCHO+C2H4 2.210E+00  3.50   4682.00!=C3H6+C2H3=>aC3H5+C2H4
 CH3CHCHCHO+C2H3 = CH3CHCHCO+C2H4  1.110E+00  3.50   4682.00!Estimated
!
! Reactions of CH3CHCHCO
! 
 CH3CHCHCO = CH3CHCH+CO            1.00E14    0.0   30000.00 !Estimated
 CH3CHCHCO+H = CH3CHCHCHO          1.00E+14   0.0      00.0  !Estimated
!
! Reactions of CH2CHCHCHO
! 
 CH2CHCHCHO = aC3H5+CO             1.00E14    0.0   25000.00 !Estimated
 CH2CHCHCHO+H = CH3CHCHCHO         1.00E+14   0.0      00.0  !Estimated
! 
! Reactions of 1-butene
!
 C4H81+H = C2H4+C2H5       1.60E+22  -2.39  11180.0  != C3H6+H
 C4H81+H = C3H6+CH3        3.20E+22  -2.39  11180.0  !Estimated
 C4H81+H = C4H7+H2         6.50E+05   2.54   6756.0  != (C3H8+H)/2
 C4H81+O = nC3H7+HCO       3.30E+08   1.45   -402.0  !91KO/ADU
 C4H81+O = C4H7+OH         1.50E+13   0.00   5760.0  !91KO/ADU
 duplicate
 C4H81+O = C4H7+OH         2.60E+13   0.00   4470.0  !91KO/ADU
 duplicate
 C4H81+OH = C4H7+H2O       7.00E+02   2.66    527.0  !=(C3H8+OH)
 C4H81+O2 = C4H7+HO2       2.00E+13   0.00  50930.0  !=(C3H8+O2)
 C4H81+HO2 = C4H7+H2O2     1.00E+12   0.00  14340.0  !89WAL 
 C4H81+CH3 = C4H7+CH4      4.50E-01   3.65   7153.0  !=(C3H8+CH3)
!
! Reactions of C4H7
!
 C4H7 = C4H6+H             2.48E+53 -12.30  52000.0  !97WAN/FRE
!C4H7 = C4H6+H             1.85E+48 -10.50  51770.0  !97WAN/FRE 10 atm
 C4H7+H(+M) = C4H81(+M)    3.60E+13   0.00      0.0  != nC3H7+H
    LOW  / 3.01E+48  -9.32   5833.6      /
    TROE / 0.498  1314.0  1314.0 50000.0 /
    H2/2/ H2O/6/ CH4/2/ CO/1.5/ CO2/2/ C2H6/3/ AR/0.7/
 C4H7+H = CH3+aC3H5        2.00E+21  -2.00  11000.0  !Estimated
 C4H7+H = C4H6+H2          1.80E+12   0.00      0.0  != nC3H7+H
 C4H7+O2 = C4H6+HO2        1.00E+11   0.00      0.0  !Estimated
 C4H7+HO2 = CH2O+OH+aC3H5  2.40E+13   0.00      0.0  != nC3H7+HO2
 C4H7+HCO = C4H81+CO       6.00E+13   0.00      0.0  != nC3H7+HCO
 C4H7+CH3 = C4H6+CH4       1.10E+13   0.00      0.0  != nC3H7+CH3
!
!
! Reactions of C6H2
!
 C6H2+H = C6H3             1.10E+30  -4.92  10800.0  !97WAN/FRE
!
! Reactions of C6H3
!
 C6H3+H = C4H2+C2H2        2.80E+23  -2.55 10780.0  !97WAN/FRE
 C6H3+H = l-C6H4           3.40E+43  -9.01 12120.0  !97WAN/FRE
 C6H3+H = C6H2+H2          3.00E+13   0.00     0.0  !97WAN/FRE
 C6H3+OH = C6H2+H2O        4.00E+12   0.00     0.0  !97WAN/FRE
 C6H3+O2 => CO+C3H2+HCCO   5.00E+11   0.00     0.0  !Estimated
!
! Reactions of C6H4
!
 l-C6H4+H = A1-            1.70E+78  -19.72 31400.  !97WAN/FREt
 l-C6H4+H = c-C6H4+H       1.40E+54  -11.70 34500.  !97WAN/FRE
 l-C6H4+H = C6H3+H2        1.33E+06    2.53  9240.0 ! = C4H4+H
 l-C6H4+OH = C6H3+H2O      3.10E+06    2.0    430.0 !97WAN/FRE 
 c-C6H4+H = A1-            2.40E+60  -13.66 29500.  !97WAN/FRE
!
! Reactions of phenyl
!
 A1-+ H (+M) = A1 (+M)    1.0E+14     0.00      0.  !97WAN/FRE
   LOW/ 6.6E+75  -16.30   7000. /
   TROE / 1.0 0.1 584.9 6113. /
   H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
 A1-+H2 = A1+H            5.71e+04    2.43   6278.  !97MEB/LIN
 A1-+O2 = C6H5O+O         2.60E+13    0.00   6120.  !94FRA/HER
 A1-+C2H4 =A1C2H3+H       1.43E+08    1.22   3540.  !NIST DB
 A1-+C2H2 =A1C2H+H        1.00E+13    0.0    7680.  !96HEC/HIP
 A1-+pC3H4 = A1+C3H3      2.00E+12    0.0   15000.  !Estimation
 A1-+aC3H4 = A1+C3H3      2.00E+12    0.0   15000.  !Estimation
!
! Reactions of benzene
!
 A1+O = C6H5O+H           2.20E+13    0.0    4530.0 !92BAU/COB
 A1+OH = C6H5OH+H         1.30E+13    0.0   10600.0 !92BAU/COB
 A1+OH = A1-+H2O          1.60E+08    1.42   1450.0 !92BAU/COB
 A1+C2H3 =A1C2H3+H        7.94E+11    0.0    6400.  !89FAH/STE
 A1+CH3 =A1CH3+H          1.20E+12    0.0   15940.  !86ROB/TSA
!
! Reactions of C6H5OH
!
 C6H5OH+H = C6H5O+H2        1.15E+14  0.0  12400.0 !92BAU/COB
 C6H5OH+O = C6H5O+OH        2.80E+13  0.0   7352.0 !92EMD/BRE
 C6H5OH+OH = C6H5O+H2O      6.00E+12  0.0      0.0 !92BAU/COB
!
! Reactions of C6H5O
!
 C6H5O = CO+C5H5            7.41E+11  0.0  43900.0 !94FRA/HER
 C6H5O+H = CO+C5H6          3.00E+13  0.0      0.0 !Estimated
 C6H5O+O = HCO+2C2H2+CO     3.00E+13  0.0      0.0 !Estimated
 C6H5O+H (+M) = C6H5OH (+M) 2.50E+14  0.0      0.0 !88HE/MAL
    LOW/1.00E+94 -21.84 13880.0/                     
    TROE/0.043 304.2 60000. 5896.4/
    H2/2./ H2O/6./ CH4/2./ CO/1.5/ CO2/2./
!
! Reactions of C5H6
!
 C5H6+H = C5H5+H2           2.20E+08  1.77  3000.0 !92EMD/BRE
 C5H6+O = C5H5+OH           1.80E+13  0.0   3080.0 !92EMD/BRE
 C5H6+OH = C5H5+H2O         3.43E+09  1.18  -447.0 !92EMD/BRE
!
! Reactions of C5H5
!
 C5H5+H (+M)= C5H6 (+M)     1.00E+14  0.0      0.0 !92EMD/BRE
      LOW/4.4E+80 -18.28 12994.0/                   
     TROE/0.068 400.7 4135.8 5501.9/
    H2/2./ H2O/6./ CH4/2./ CO/1.5/ CO2/2./
 C5H5+O = n-C4H5+CO         1.00E+14  0.0      0.0 !92EMD/BRE
 C5H5+OH = C5H4OH+H         3.00E+13  0.0      0.0 !92EMD/BRE
 C5H5+HO2 = C5H5O+OH        3.00E+13  0.0      0.0 !92EMD/BRE
!
! Reactions of C5H5O
!
 C5H5O = n-C4H5+CO          2.50E+11  0.0  43900.0 !92EMD/BRE
 C5H5O+H = CH2O+2C2H2       3.00E+13  0.0      0.0 !Estimated.
 C5H5O+O = CO2+n-C4H5       3.00E+13  0.0      0.0 !Estimated.
!
! Reactions of C5H4OH
!
 C5H4OH = C5H4O+H           2.10E+13  0.0  48000.0 !92EMD/BRE
 C5H4OH+H = CH2O+2C2H2      3.00E+13  0.0      0.0 !Estimated.
 C5H4OH+O = CO2+n-C4H5      3.00E+13  0.0      0.0 !Estimated.
!
! Reactions of C5H4O
!
 C5H4O = CO+C2H2+C2H2       1.00E+15  0.0  78000.0 !92EMD/BRE
 C5H4O+O = CO2+2C2H2        3.00E+13  0.0      0.0 !Estimated
!
! Reactions of A1CH2
!
 A1CH3+H = A1CH2+H2        1.4E+2    3.54  -2600.0 !NIST DB
 A1CH2 = C5H5+C2H2         2.51E+16  0.0   97400.0 !97JON/BAC
!
END
!
!
!===============================================================================
            References and Notes:
!-------------------------------------------------------------------------------

GRI	  - Frenklach, M.; Wang, H.; Goldenberg, M.; Smith, G.P.; Golden, D.M.;
	    Bowman, C.T.; Hanson, R.K.; Gardiner, W.C.; Lissiansky, V.
	    GRI-Mech: An Optimized Chemical Reaction Mechanism for Methane
	    Combustion (version GRI-Mech 1.2), GRI Report No. GRI-95/0058,
	    Gas Research Institute, Chicago, 1995.

GRI#	  - the rate constants for these reactions were taken with the branching
            ratio of 1:5 ( GRI-mech1.2 uses 1:1 ratio), as was reported in the
	    followed work: Michael, J.V.; Wagner, A.F. Ber.Bunsenges.Phys.Chem.
            1990, 94, 2453.
 
GRI##	  - reaction products were modified from the GRI-mech1.2 mechanism,
	    see reference 97WAN/FRE for detales

GRI###	  - reaction products were modified from the GRI-mech1.2

NIST DB   - Westly, F.; Herron, J.T.; Cvetanovich, R.J.; Hampson R.F.; Mallard,
            W.G. NIST - chemical Kinetics Standard Referncew Data Base 17, ver.
            5.0

67LAM/CHR - Lambert, R.M.; Christie, M.I.; Linnet, J.W. J.Chem.Soc.Chem.Commun.
            1967, 388.

76CRA/LUT - Crawford, R.J.; Lutener, S.B.; Cockcroft, R.D. Can.J.Chem. 1976, 54,
            3364. 

77FLO     - Flowers, M.C. J.Chem.Soc.,Faraday Trans. 1977, 73, 1927.

78BOG/HAN - Bogan, D.J.; Hand, C.W. J.Phys.Chem. 1978, 82, 2067.

83HOM/WEL - Homman, K.H.; Wellman, C., Ber.Bunsenges.Phys.Chem. 1983, 87, 609.

83LIF/BEN - Lifshitz, A.; Ben-Hamou, H. J.Phys.Chem. 1983, 87, 1782.

83WAR/BOC - Warnatz, J.; Bockhorn, H.; Moser, A.; Wenz, H.  Th. 19th Symposium
            (international) on Combustion, The Combustion Institute, Pittsburgh,
            1983, p.197.

84COL/BIT - Cole, J.A.; Bittner, J.D.; Longwell, J.P.; Howard, J.B. Combust.
            Flame 1984, 56, 51.

84BOL/KEE - Baldwin, R.R.; Keen, A.; Walker, R.W. J.Chem.Soc.,Faraday Trans. 
            1984, 80, 435.

84PER     - Perry, R.A. Combust.Flame 1984, 58, 221.

84WAR     - Warnatz, J. "Rate coefficients in C/H/O system", in "Combustion
            Chemistry" (Ed W.C. Gardiner, Jr.) Springer-Verlag, NY 1984, p.197.

85BAL/HIS - Baldwin, R.R; Hisham, M.W.M; Walker, R.W. Th. 20th symposium
            (international) on Combustion, The Combustion Institute, Pittsburgh,
            1985, p.743.  

86FRA/BHA - Frank, F.; Bhaskarn, K.A.; Just, Th. 21th symposium (international)
            on Combustion, The Combustion Institute, Pittsburgh, 1988, p.885. 

86LIF/BID1 - Lifshitz, A.; Bidani, M. J.Phys.Chem. 1986, 90, 6011.  

86LIF/BID2 - Lifshitz, A.; Bidani, M. J.Phys.Chem. 1986, 90, 5373.  

86ROB/TSA - Robaugh, D.; Tsang. W.  J.Phys.Chem. 1986, 90, 4159.

86TSA/HAM - Tsang, W.; Hampson, R.F. J.Phys.Chem.Ref.Data 1986, 15, 1087.

87MAH/MAR - Machmud, K.; Marshall, P.; Fontijn, A. J.Phys.Chem. 1987, 91, 1568. 

87WU/KER  - Wu, C.H.; Kern, R.D. J.Phys.Chem. 1987, 91, 6291.

88BOH/TEM - Bohland, T.; Temp, F.; Wagner, H.G. 21th Symposium (international)
            on Combustion, The Combustion Institute, Pittsburgh, 1988, p.841.

88HE/MAL  - He, Y.Z.; Mallard, W.J.; Tsang, W. J.Phys.Chem. 1988, 92, 2196.

88KER/SIN - Kern, R.D.; Singh, H.J.; Wu, C.H. Int.J.Chem.Kin., 1988, 20, 731.

88LIU/MUL - Liu, A.; Mulac, W.A.; Jonah, C.D. J.Phys.Chem. 1988, 92, 131.

88LIU/MUL1 - Liu, A.; Mulac, W.A.; Jonah, C.D. J.Phys.Chem. 1988, 92, 3821.

88SLA/GUT - Slagle, I.R.; Gutman, D. 21th symposium (international) on
            Combustion, The Combustion Institute, Pittsburgh, 1988, p.875.

88TSA     - Tsang, W. J.Phys.Chem.Ref.Data 1988, 17, 887.

89FAH/STE - Fahr, A.; Stein, S.E.  22th symposium (international) on
            Combustion, The Combustion Institute, Pittsburgh, 1989, p.1023.  

89LIF/BID - Lifshitz, A.; Bidani, M. J.Phys.Chem. 1989, 93, 1139.  

89MIL/BOW - Miller, J.A.; Bowman, C.T. Prog.Energy Combust.Sci. 1989, 15, 287.

89SLA/BER - Slagle, I.R.; Bernhardt, J.R.; Gutman, D.  22th symposium
            (international) on Combustion, The Combustion Institute, Pittsburgh,
            1989, p.953.

89WAL     - Walker, R.W. 22th symposium (international) on Combustion, The 
            Combustion Institute, Pittsburgh, 1989, p.883.
  
89WES/DEA - Westmoreland, P.R.; Dean, A.M.; Howard, J.B.; Longwell J.P.
            J.Phys.Chem. 1989, 93, 8171. 

90BOZ/DEA - Bozzelli, J.W.; Dean, A.M. J.Phys.Chem. 1990, 94, 3313.

91KO/ADU  - Ko, T.; Adusei, G.Y.; Fontijn, A. J.Phys.Chem. 1991, 95, 9366.

91SHI/MIC - Shin, K.S.; Michael, J.V. J.Phys.Chem. 1991, 95, 5864. 

91TSA     - Tsang, W. J.Phys.Chem.Ref.Data 1991, 20, 221.

92BAU/COB - Baulch, D.L.; Cobos, C.J.; Cox, R.A.; Frank, P.; Hayman, G.;
            Just, Th.; Kerr, J.A.; Murrells, T.; Pilling, M.J.; Troe, J.;
            Walker, R.W.; Warnatz, J. J.Phys.Chem.Ref.Data 1992, 21, 411.

92EMD/BRE - Emdee, J.L.; Brezinsky, K.; Glassman, I. J.Phys.Chem. 1992,
            96, 2151.

92KOS/FUK - Koshi, M.; Fukluda, K.; Kamiya, K.; Matsui, H. J.Phys.Chem. 1992,
            96, 9839.

92MIL/MEL - Miller, J.A.; Melius, C.F. Combust.Flame 1992, 91, 21.

92SLA/BEN - Slagle, I.R.; Benscura, A.; Xing, S-B.; Gutman, D. 24th symposium
            (international) on Combustion, The Combustion Institute, Pittsburgh,
            1992, p.653.

92WAN     - Wang, H., Ph.D. Thesis, The Pennsylvania State University,
            University Park, PA, 1992

93ADU/FON - Adusei, G.Y.; Fontijn, A. J.Phys.Chem. 1993, 97, 1406.

93ADU/FON# - total rate constant for C4H6+O reaction was taken from the
            reference 92ADU/FON, the products and the branching ratio were
	    proposed in the present work.

93FAR/MOR - Fahrat, S.K.; Morter, C.L.; Glass, G.P. J.Phys.Chem. 1993, 97,
            12789.

94FRA/HER - Frank, P.; Herzler, J.; Just, Th.; Wahl, C. 25th symposium
            (international) on Combustion, The Combustion Institute, Pittsburgh,
            1994, p.833.

94LIF/TAM - Lifshitz, A.; Tamburu, C. J.Phys.Chem. 1994, 98, 1167. 

95LEU/LIN - Leung, K.M.; Linstedt, R.P. Combust.Flame 1995, 102, 129.

95PAU/VOL - Pauwels, J-F.; Volponi, J. V.; Miller, J.A. Combust.Sci.Tech. 1995,
            110/111, 249.

96ADU/BLU - Adusei, G.Y.; Blue, A.S.; Fontijn, A. J.Phys.Chem. 1996, 100, 16921.

96ADU/BLU#- total rate constant for pC3H4+O reaction was taken from the
            reference 96ADU/BLU, the products and the branching ratio were
	    taken from the reference 98DAV/LAW

96HEC/HIP - Heckmann, E.; Hippler, H.; Troe, J. C. 26th symposium 
            (international) on Combustion, The Combustion Institute, Pittsburgh,
            1996, p.543.

96HID/HIG - Hidaka, Y.; Higashihara, T.; Ninomiya, N.; Masaoka, H.; Nakamura,
            T.; Kawano, H. Int.J.Chem.Kin. 1996, 28, 137z. 

96KNY/BEN - Knyazev, V.D.; Benscura, A.; Stoliarov, S.I.; Slagle, I.R.
 	    J.Phys.Chem. 1996, 100, 11343.

96KNY/SLA - Knyazev, V.D.; Slagle, I.R. J.Phys.Chem. 1996, 100, 16899.

96MEB/DIA - Mebel, A.M.; Diau, E.W.G.; Lin, M.C.; Morokuma, K. J.Phys.Chem.
	    1996, 118, 9759.

96WUR/McG - Wurmel, J.; McGuinness, M.; Simmie, J.M. J.Chem.Soc.,Faraday
            Trans. 1996, 92(5), 715.

97JON/BAC - Jones, J.; Bacskay, G.B.; Mackie, J.C. J.Phys.Chem.A 1997, 101,
            7105. 

97MEB/LIN - Mebel, A.M.; Lin, M.C.; Yu, T.; Morokuma, K. J.Phys.Chem.A 1997,
            101, 3189. 

97WAN/FRA - Wang, H.; Frenklach, M. Combust.Flame 1997, 110, 173.

98DAV/LAW - Davis, S.G.; Law, C.K.; Wang, H. 27th Symposium (international) on
            Combustion, The Combustion Institute, Pittsburgh, 1998, p.305. 

99DAV/LAW - Davis, S.G.; Law, C.K.; Wang, H. J.Phys.Chem. 1999, in press.

99LAS/WAN - Laskin, A.; Wang. H. Chem.Phys.Lett., 1999, 303, 43.

@@@@@
96DAV/WAN - Davis, S.G.; Wang, H.; Brezinsky, K.; Law, C.K.;  26th Symposium 
            (international) on Combustion, The Combustion Institute, Pittsburgh,
            1996, p.1025.