!SCWO Benzene Mechanism
!Developed by Joanna DiNaro based on the low-pressure mechanism of Richard Shandross

  ELEMENTS H O C AR END
!
	SPECIES 
	AR C6H6 C6H5OH C6H5O C6H5 C5H6 C5H5O  C5H4OH  C5H5
	C5H4O C4H6 CH2CHCHCH C4H4  H2CCCCH C4H2  C3H4 H2CCCH C3H2
	C2H4 C2H3 C2H2 CH2CO  C2H HCCO CH4 CH3O CH3 CH2O  CH2 CH 
	CO2 CO H2O H2 H2O2 HCO HO2  H OH O2 O C6H4OH C6H4
	C5H3 C5H2 CH2CHCCH2  HCCHCCH C4H H2C4O
	C3H6 C3H5 C3H4P C2H6 C2H5 HCCOH C2O CH3OH CH2OH HCH C
	C6H3 C7H7 C7H8 C6H7 C2 C6H5OO C6H5OOH
	C5H5O1_1 C=CC.C=COH COC=CKET C=CC=C=O 
	C6H4O2 C5H4 C6H3O2 C6H3O3 C6H6O  C5H5CHO  C5H4CHO
	END

REACTIONS
!  1.  Revised ZM model, i.e. from Shandross (1995) thesis and later work.
!  2.  THIS VERSION has been "depressurized," for use at 246 bar and
!      about 800-900 K, with a bath gas of H2O.  Reactions which were 
!      previously calc'd with QRRK or RRKM and do not now have a comment 
!      like "QRRKras246bar are high-pressure limits.  They should be 
!      indicated with a note like "HighP."
!
!      N.B.  This only includes reactions for which QRRK or RRKM had
!            been used to calculate pressure dependence.  At this 
!            stage, low-pressure limit reactions ("+M") have been left 
!            in the low-pressure limit.  
!
!      Notation:  !** = change to high pressure.
!
!***REACTIONS USED IN THE REDUCED MECHANISM***

!H2/O2 reactions:
H+O2=HO2			2.07E+18	-1.69	890 !Chemact by jld@246 bar
HO2+HO2=H2O2+O2         2.22E+11  0.0  -1629.0 !Hippler ea fit to single exponential
H2O2+OH=H2O+HO2	7.829E+12	0.	1331.4	
OH+OH=H2O2		1.00E+29	-5.452	3070.0 !Chemact by jld@246 bar
OH+HO2=H2O+O2		1.905E+16	-1.0	0.0	!value of Kim et al, 1994
H+O2=OH+O			2.1E+15	-0.3	20200.0 !Chemact by jld@246 bar
OH+OH=O+H2O		1.504E+09	1.14	99.4 !
O+HO2=OH+O2		3.250E+13	0.	0.0	

!C6H6 reactions:
OH+C6H6=C6H5OH+H        1.34E+13       0.0    10592 !He et al., HighP
OH+C6H6=C6H5+H2O        1.63E+08         1.42     1454 !Baulch et al. 1992
O+C6H6=C6H5O+H               2.40E+13   0   4668 !Ko et al. (1991)

!C6H5OH Reactions
H+C6H5O=C6H5OH  2.50E+14   0.0   0.0   !He et al. high p (1988)
OH+C6H5OH=H2O+C6H5O     1.39E+08      1.43     -962 !Shandross (1995)
C6H5OH+O=C6H5O+OH      1.28E13  0  2891  !Frank
C6H5OH+HO2=C6H5O+H2O2   3.00E13     0.0   15000.0 !c
C6H5OH+CH2CHCHCH=C4H6+C6H5O 6.00E12 0.0       0.0 !a
C6H5OH+CH2CHCCH2=C4H6+C6H5O 6.00E12 0.0       0.0 !a
C6H5OH+C6H5=C6H6+C6H5O  4.91E12     0.0      4400.0 !a

!C6H5 and C6H5OO Reactions
C6H5+O=C5H5+CO     9E13   0.0  0.0         !Frank
!Chemact C6H5O2 Reactions:
C6H5 + O2 = C6H5OO            1.85E+13    -.15     -159. 
C6H5 + O2 = C6H5O + O         2.57E-29    12.73    -5699. 
C6H5OO= C6H5O + O             4.27E+15   -0.7    33027. 
C6H5OO=C6H4O2+H               4.0E+8    0.0  0.0 !treated as adjustable parameter
C6H5OO=C5H5+CO2               1.2E+8   0.0   0.0 !treated as adjustable parameter
!Estimated C6H5OO reactions
C6H5OO+H=C6H5OOH              2.5E+14  0.0  0.0 !Same as C6H5O+H=C6H5OH
C6H5O+OH=C6H5OOH              1.0E+12  0.0  0.0 !Diffusion controlled
C6H5OO+HO2=C6H5OOH+O2         1.867E+12  0.0  1540 !(HO2+HO2=H2O2+O2)
C6H5OO+C6H5OH=C6H5OOH+C6H5O   1.0E+12  0.0  6961 !estimated
C6H5O+HO2=C6H5OO+OH           1.50E+14 0.0  23650 !from CO+HO2=CO2+OH

!C6H5O reactions
C6H5O+C5H6=C5H5+C6H5OH  3.16E11     0.0    8000.0 !a
C6H5O+O=C6H4O2+H   3E13 0.0 0.0  !Frank
C6H5O=C5H5+CO           7.40E11    0.0      43853 !Frank HighP 25th comb symp

!C6H4O2 submodel (Alzueta)
!C6H4O2=C5H4O+CO                           3.7E11  0.0  59000  !Alzueta
C6H4O2=C5H4+CO2                            3.5E12  0.0  67000  !Alzueta
C6H4O2+H=>C5H5O+CO                    2.5E13  0.0  4700  !Alzueta
C6H4O2+H=>C6H3O2+H2                  2.0E12  0.0  8100  !Alzueta
C6H4O2+OH=>C6H3O2+H2O             1.0E6    2.0  4000  !Alzueta
C6H4O2+O=>C6H3O3+H                     1.5E13  0.0  4530  !Alzueta
C6H4O2+O=>C6H3O2+OH                  1.4E13  0.0  14700  !Alzueta

!C6H3O2 submodel (Alzueta)
C6H3O2+H=>C2H2+C2H2+CO+CO   1E14     0.0  0.0  !Alzueta
C6H3O2+O=>C2H2+HCCO+CO+CO  1E14     0.0  0.0  !Alzueta
C6H3O3=>C2H2+HCCO+CO+CO       1E12     0.0  50000  !Alzueta
!
!
!Bozzelli's C5H5/C5H6 mechanism
C5H6 + H = C2H2 + C3H5 7.14E-34 15.06 14617                                                    
C5H6 + O = C5H5O1_2 + H 1.00E+15 -0.61 3669                                                    
C5H6 + OH = C=CC.C=COH 4.39E+10 0.82 2914                                   
C5H5 + H = C5H6 3.21E+14 0 0                                   
C5H5 + O = C5H5O 5.17E+30 -5.96 3445                                   
C5H5 + O = C5H4O + H 4.25E+15 -0.56 1230                                   
C5H5 + O = CH2CHCHCH + CO 1.45E+01 3.76 2213                                   
C5H5 + O2 = COC=CKET + H 4.35E+07 1.08 16737                                
C5H5 + O2 = C=CC=C=O + HCO 1.31E-03 4.41 16472                                
C5H5 + HO2 = C5H5O + OH 6.19E-31 13.81 -4130                                
C5H5 + HO2 = C5H4O + H2O 9.46E-32 13.13 -4803                                
C5H5 + OH = C5H4OH + H 3.63E-48 18.18 -3853                                
C5H6+H=C5H5+H2    1.2E5  2.5  1492 !Abstraction
C5H6+OH=C5H5+H2O           3.08E6  2.0  0.0 !Abstraction
C5H6+HCO=C5H5+CH2O      1.08E8  1.9  16000 !Abstraction
C5H6+C6H5=C6H6+C5H5     0.1E0  4.0  0.0 !Abstraction
C5H6+C3H5=C5H5+C3H6     0.2E0  4.0  0.0 !Abstraction
C5H6+CH3=C5H5+CH4         0.18E0 4.0 0.0 !Abstraction
C5H6+HO2=C5H5+H2O2    1.10E04  2.6  12900.0 !Abstraction
C5H6+O2=C5H5+HO2          4.00E13     0.00 37150 !Abstraction
C5H6+O=C5H5+OH  4.77E04  2.71  1106.0 !Abstraction
C5H6+C2H3=C5H5+C2H4  0.12E0  4.0  0.0 !Abstraction
C5H6+CH2CHCHCH=C5H5+C4H6  0.12E0  4.0  0.0 !Abstraction
C5H6+CH2CHCCH2=C5H5+C4H6 6.00E12     0.0       0.0 !Emdee

!C5H5O reactions
C5H5O=CH2CHCHCH+CO    7.4E11  0.0  43900  

!C5H4O reactions
C5H4O=C4H4+CO          1E12 0.0 0.0 !Frank
C5H4O=CO+C2H2+C2H2  1.00E15     0.0   78000.0 !a, Alzueta
C5H4O+O=C4H4+CO2     1E13 0.0 2000  !Alzueta
C5H4O+H=CH2CHCCH2+CO  2.5E13 0.0 4700  !Alzueta
C5H4OH=C5H4O+H            2.13E13  0.0  48000 !Emdee High P

!C5H4 reactions
C5H4+H=C5H3+H2  1E6  2.5  5000  !Alzueta
C5H4+O=C5H3+OH  1E6  2.5  3000  !Alzueta
C5H4+OH=C5H3+H2O  1E7  2.0  0.0  !Alzueta

!C5H3 reactions
C5H3+O2=C2H2+HCCO+CO  1E12  0.0  0.0  !Alzueta

!C7H7 reactions
C7H8+OH=C7H7+H2O        1.26E13     0.0    2583.0 !a72
C5H5+C2H2=C7H7          3.72E11     0.0      8300 !!! CST-new-HighP

!C4 reactions
CH2CHCCH2+O2=C4H4+HO2    1.20E11    0.00       0.0 !a
C4H4+OH=H2CCCCH+H2O      7.50E06     2.0   5000.0 !b174

!C2 reactions
C2H3+O2=CH2O+HCO        4.00E12     0.0   -250.0 !b105
C2H2+H=C2H3   7.85E+14  -0.224  1770 !Chemact by jld@246 bar

!C1 reactions
CH2O+OH=HCO+H2O        3.43E09    1.18     -447.0  !b74&a
HCO+M=H+CO+M           2.50E14     0.0    16802.0  !b79
CO+O=CO2   1.8E+10   0.0   2438.0 !jld HP Limit Troe, 1974
CO+OH=CO2+H            3.09E11     0.0      735.0  !72DFX
!
!***REACTIONS NOT INCLUDED IN THE REDUCED MECHANISM WHICH
!      WERE INCLUDED IN THE FULL MECHANISM OF SHANDROSS***
!
!C6H6 reactions
C6H6+O=C6H5+OH		2.0E+13  0.0  14694    !
C6H6+O2=C6H5+HO2	6.3E+13  0.0  60000.   !

!C6H5 reactions
C6H5+OH=C6H5O+H	        5.0E+13  0.0  0.0      !

!C6H4OH reactions
OH+C6H5OH=H2O+C6H4OH    1.41E+13      0.00     4571 !Shandross (1995)
H+C6H5OH=H2+C6H4OH      1.67E+14      0.00    16000 !Shandross (1995)
C5H5+CO=C6H4OH           8.39E07     0.0     49910 !! HighP!

!     C4H6 = CH2CH-CHCH2: 1,3-Butadiene reactions
C4H6+H2CCCH=CH2CHCCH2+C3H4 1.00E13   0.0   22501.0 !88KER/SIN
C4H6+O=C2H4+CH2CO        1.00E12     0.0       0.0 !88HAR/WEI
C4H6+O=C3H4+CH2O         1.00E12     0.0       0.0 !88HAR/WEI
C4H6+OH=C3H5+CH2O        1.00E12     0.0       0.0 !88HAR/WEI
C4H6+OH=C2H5+CH2CO       1.00E12     0.0       0.0 !88HAR/WEI
C4H6+H=CH2CHCHCH+H2      3.00E07     2.0    6000.0 !b210&209

!     C4H5 = CH2CHCHCH & CH2CHCCH2 : Butadienyl reactions
CH2CHCCH2+M=C4H4+H+M     2.00E15     0.0   42000.0 !b216
CH2CHCHCH+M=C4H4+H+M     1.00E14     0.0   30000.0 !b217
CH2CHCHCH+O2=C4H4+HO2    1.20E11    0.00       0.0 !a
CH2CHCHCH+H=CH2CHCCH2+H  1.00E14     0.0       0.0 !b213
CH2CHCHCH+OH=C4H4+H2O    2.00E07     2.0     1000. !b185
CH2CHCHCH+H=C4H4+H2      3.00E07     2.0    1000.0 !b186
CH2CHCHCH+C2H3=C6H6+H2   2.80E-7    5.63   -1890.0 !89WES/DEA
2C2H3=CH2CHCCH2+H        4.00E13     0.0       0.0 !b109
CH2CHCCH2+OH=C4H4+H2O    2.00E07     2.0     1000. !b185GUESS
CH2CHCCH2+H=C4H4+H2      3.00E07     2.0    1000.0 !b186GUESS

!     C4H4 = H-CC-CHCH2 : Vinyl acetylene reactions
HCCHCCH+H+M=C4H4+M       1.00E15     0.0      0.0 !87FRE/WAR
H2CCCCH+H+M=C4H4+M       1.00E15     0.0      0.0 !87FRE/WAR
!**   H2CCCCH+H=C4H4           1.30E23   -3.39    13208 !! QRRKras
H2CCCCH+H=C4H4           2.80E13  -.4282     9367 !! HighP
C4H4+C2H=H2CCCCH+C2H2    4.00E13     0.0      0.0 !88HAR/WEI
C4H4+C2H=HCCHCCH+C2H2    4.00E13     0.0      0.0 !87FRE/WAR
C4H4+H=H2CCCCH+H2        3.00E07     2.0   5000.0 !b184
C4H4+H=HCCHCCH+H2        2.00E07     2.0  15000.0 !b175
H2CCCH+HCH=C4H4+H        4.00E13     0.0      0.0 !b171
C4H4+C2H3=C2H4+H2CCCCH   5.00E11     0.0  16300.0 !88HAR/WEIU
C4H4+C2H3=C2H4+HCCHCCH   5.00E11     0.0  16300.0 !88HAR/WEIU
C4H4+C2H=C4H2+C2H3       1.00E13     0.0      0.0 !87FRE/WAR
!**   C2H3+C2H=C4H4            3.05E25   -3.52     4551 !! QRRKras
C2H3+C2H=C4H4            1.00E14     0.0      0.0 !! HighP
C2H4+C2H=C4H4+H          1.21E13     0.0      0.0 !86TSA/HAM

!     C4H3 = H2CCCCH & HCCHCCH reactions
HCCHCCH+H=H2CCCCH+H       1.0E14     0.0      0.0 !b177
H2CCCCH+M=C4H2+H+M       2.00E15     0.0  48000.0 !b214
HCCHCCH+M=C4H2+H+M       1.00E14     0.0  30000.0 !b215
H2CCCCH+O=CH2CO+C2H      2.00E13     0.0      0.0 !b180
H2CCCCH+O=H2C4O+H        2.00E13     0.0      0.0 !b181
H2CCCCH+O2=CH2CO+HCCO    1.00E12     0.0      0.0 !b178
H2CCCCH+OH=C4H2+H2O      3.00E13     0.0      0.0 !b179
H2CCCCH+H=C4H2+H2        5.00E13     0.0      0.0 !b182
H2CCCCH+H2=C2H2+C2H3     5.01E10     0.0  20000.0 !86COL
H2CCCCH+HCH=C3H4+C2H     2.00E13     0.0      0.0 !b183
!**   C2H2+C2H=HCCHCCH         4.76E33   -6.40     7801 !! QRRKras
C2H2+C2H=HCCHCCH         1.00E13     0.0      0.0 !! HighP
H2CCCH+CH=H2CCCCH+H      7.00E13     0.0      0.0 !b172&3
H2CCCH+CH=HCCHCCH+H      7.00E13     0.0      0.0 !b172&3
C2H2+C2H2=HCCHCCH+H      1.00E13     0.0    45888 !!! CST
C3H2+HCH=H2CCCCH+H       3.00E13     0.0      0.0 !b164

!     C4H2 = H-CC-CC-H : Diacetylene reactions. C4H, butadiynyl
C4H2+O=C3H2+CO           1.20E12     0.0      0.0 !b202
2C3H2=C4H2+C2H2          2.00E13     0.0  85000.0 !92KER/XIE
C2H2+C2H=C4H2+H          3.00E13     0.0      0.0 !b124
C4H2+M=C4H+H+M            3.5E17     0.0  80065.0 !87FRE/WAR
C4H2+C2H=C4H+C2H2        2.00E13     0.0      0.0 !87FRE/WAR

!     C3H6 = Propylene reactions
C3H6+HO2=C3H5+H2O2       9.64E03     2.6  13910.0 !91TSA
C3H6+CH3=C3H5+CH4        2.21E00     3.5   5675.0 !91TSA
C3H6+O=C3H5+OH           6.03E10     0.7   7633.0 !91TSA
C3H6+O=C2H5+HCO          1.21E11     0.1   8960.0 !91TSA
C3H6+O2=C3H5+HO2         6.03E13     0.0  47593.0 !91TSA
C3H6+CH2OH=C3H5+CH3OH    6.03E01     2.95 11989.0 !91TSA
C3H6+CH3O=C3H5+CH3OH     9.00E01     2.95 11987.0 !91TSA
C3H6+C2H=C3H4P+C2H3      1.21E13     0.0      0.0 !91TSA
C3H6+CH2=C3H5+CH3        7.23E11     0.0   6192.0 !91TSA
C3H6+HCO=C3H5+CH2O       1.08E07     1.9  17006.0 !!! CST-new
C3H6+C2H5=C3H5+C2H6      2.23E00     3.5   6637.0 !91TSA
C3H6+C2H3=C3H5+C2H4      2.21E00     3.5   4682.0 !91TSA
C3H5+HCO=C3H6+CO         6.03E13     0.0      0.0 !91TSA
C3H5+CH2OH=C3H6+CH2O     1.81E13     0.0      0.0 !91TSA
C3H5+CH3O=C3H6+CH2O      3.01E13     0.0      0.0 !91TSA
C3H5+C2H3=C3H6+C2H2      4.82E12     0.0      0.0 !91TSA
C3H5+C2H5=C3H6+C2H4      2.59E12     0.0   -131.0 !91TSA
2C3H5=C3H4+C3H6          8.43E10     0.0   -262.0 !91TSA
CH2+C2H5=C3H6+H          9.03E12     0.0      0.0 !!! CST-new
CH2+C2H4=C3H6            9.03E13     0.0      0.0 !!! CST-new

!     C3H5 = H2CCHCH2 :  ally radical reactions
C3H4+H=C3H5              1.20E11    0.69   3007.0 !92TSA/WAL
C3H5+OH=C3H4+H2O         6.03E12     0.0      0.0 !91TSA
CH3+C2H2=C3H5            2.43E46   -10.9   19974. !87DEA/WES
C3H5+CH2=C4H6+H          3.01E13     0.0      0.0 !91TSA
C2H+C3H5=C2H2+C3H4       1.50E-1     0.0      0.0 !91TSA
C2H+C3H5=C2H3+H2CCCH     2.00E01     0.0      0.0 !91TSA
C3H5+C2H3=C3H4+C2H4      2.41E12     0.0      0.0 !91TSA
C3H5+C2H5=C3H4+C2H6      9.64E11     0.0   -131.0 !91TSA
C2H3+CH2OH=C3H5+OH       1.21E13     0.0      0.0 !87TSA
C2H4+HCH=C3H5+H          3.19E12     0.0   5285.4 ! CST


!**   C3H4=C3H4P              1.01E+28  -4.632  63183.0 !!! CSTuniQRRKras
C3H4=C3H4P               2.00E13     0.0    62000 !!! CST-HighP
C3H4+C3H2=3C2H2          1.70E13     0.0  15000.0 !92KER/XIE
C3H4P+C3H2=3C2H2         1.70E13     0.0  15000.0 !92KER/XIE
C3H4+O=CO+C2H4           1.50E13     0.0   2103.0 !88HAR/WEI
C3H4+OH=HCO+C2H4         1.00E12     0.0      0.0 !88HAR/WEI
C3H4+M=H2CCCH+H+M        1.00E17     0.0  70000.0 !92KER/XIE
C3H4P+M=H2CCCH+H+M       1.00E17     0.0  70000.0 !92KER/XIE
C3H4+CH3=H2CCCH+CH4      2.00E12     0.0   7700.0 !92KER/XIE
C3H4P+CH3=H2CCCH+CH4     2.00E12     0.0   7700.0 !92KER/XIE
C3H4+H=C2H2+CH3          2.00E13     0.0   2400.0 !92KER/XIE
!**   C2H+CH3=C3H4P            4.16E33   -6.61    33537 !! QRRKras
C2H+CH3=C3H4P            2.01E07   1.619    24089 !! HighP
HCH+C2H2+M=C3H4+M        1.20E13     0.0   6600.0 !92BAU/COB
C2H2+CH2+M=C3H4P+M       2.23E14     0.0      0.0 !92BAU/COB
C2H3+HCH=C3H4+H          3.00E13     0.0      0.0 !b107
C2H2+CH2+M=C3H4+M        2.23E14     0.0      0.0 !92BAU/COB
C3H4P+C2H=C2H2+H2CCCH    1.00E13     0.0      0.0 !92KER/XIE
C3H4+C2H=C2H2+H2CCCH     1.00E13     0.0      0.0 !92KER/XIE
C3H4+O=CH2O+C2H2         9.00E12     0.0   1870.0 !!! CST-new
C3H4+O=HCO+C2H3          9.00E12     0.0   1870.0 !!! CST-new
C3H4P+O=CH2O+C2H2        7.50E12     0.0   2102.0 !!! CST-new
C3H4P+O=HCO+C2H3         7.50E12     0.0   2102.0 !!! CST-new
C3H4+OH=CH2CO+CH3        3.37E12     0.0   -304.0 !!! CST-new
C3H4P+OH=CH2CO+CH3       4.28E11     0.0   -843.0 !!! CST-new

!     H2CCCH  reactions
H2CCCH+O=C3H2+OH         3.20E12     0.0      0.0 !88HAR/WEI
CH3+C2H=H2CCCH+H         2.41E13     0.0      0.0 !86TSA/HAM
C2H+CH2OH=H2CCCH+OH      1.21E13     0.0      0.0 !87TSA
C2H+C2H5=CH3+H2CCCH      1.81E13     0.0      0.0 !86TSA/HAM
C2H2+HCCO=H2CCCH+CO      1.10E11     0.0    3000. !b125
H2CCCH+O2=CH2CO+HCO      3.00E10     0.0   2868.0 !b167

!     C3H2 propynylidene reactions
C3H2+O=C2H+HCO           6.80E13     0.0      0.0  !88HAR/WEI
!!!   C3H2+OH=C2H2+HCO         5.00E13     0.0      0.0  !b163  CST-rem

!     H2C4O reactions
H2C4O+H=C2H2+HCCO        5.00E13     0.0   3000.0  !b165
H2C4O+OH=CH2CO+HCCO      1.00E07     2.0   2000.0  !b166

!     C2H6 ethane reactions
C2H6+CH3=C2H5+CH4       5.50E-1     4.0   8300.0  !b88
C2H6+H=C2H5+H2          5.40E02     3.5   5210.0  !b89
C2H6+O=C2H5+OH          3.00E07     2.0   5115.0  !b90
C2H6+OH=C2H5+H2O        8.70E09    1.05   1810.0  !b91
C2H6+O2=C2H5+HO2        1.00E13     0.0  51000.0  !88HAR/WEI
C2H6+HO2=C2H5+H2O2      3.00E11     0.0  11500.0  !88HAR/WEI
HCO+C2H5=C2H6+CO        1.21E14     0.0      0.0  !86TSA/HAM
C2H4+C2H5=C2H3+C2H6     6.32E02    3.13  18010.0  !86TSA/HAM
2CH3+M=C2H6+M           3.18E41    -7.0   2762.0  !b22
H2/2.0/  CO/2.0/  CO2/3.0/  H2O/5.0/
H2/2.0/  CO/2.0/  CO2/2.0/  H2O/5.0/          !!! CST
CH2+C2H6=CH3+C2H5       1.20E14     0.0      0.0  !138
C2H6+HCO=C2H5+CH2O      4.70E04     2.7  18233.0  !!! CST-new
2C2H5=C2H6+C2H4         1.39E12     0.0      0.0  !!! CST-new
C2H3+C2H5=C2H6+C2H2     4.82E11     0.0      0.0  !!! CST-new
C2H2+C2H5=C2H6+C2H      2.71E11     0.0  23446.0  !!! CST-new

!     C2H5 ethyl reactions
C2H5+O=C2H4+OH          5.00E13     0.0      0.0 !d
C2H5+O=CH2O+CH3         1.61E13     0.0      0.0 !86TSA/HAM
HO2+C2H5=C2H4+H2O2      3.01E11     0.0      0.0 !86TSA/HAM
HCH+CH3=C2H5            2.53E20   -3.49   2030.0 !86WESTMORELAND
CH3+C2H5=C2H4+CH4       1.95E13    -0.5      0.0 !86TSA/HAM
CH3+CH2=C2H5            1.11E19   -3.20   1780.0 !86WESTMORELAND
C2H+C2H5=C2H2+C2H4      1.81E12     0.0      0.0 !86TSA/HAM
C2H5+H=C2H4+H2          1.81E12     0.0      0.0 !d
C2H5+H=CH3+CH3          1.00E14     0.0      0.0 !b97
C2H5+O2=C2H4+HO2        8.43E11     0.0   3875.0 !b98
C2H4+H+M=C2H5+M         6.37E27    -2.8    -54.0 !b96
2C2H4=C2H5+C2H3         4.82E14     0.0  71539.0 !86TSA/HAM
C2H5+OH=C2H4+H2O        2.41E13     0.0      0.0 !d
C2H5+HO2=CH3+CH2O+OH    2.40E13     0.0      0.0 !d
CH2+C2H5=C2H4+CH3       9.03E12     0.0      0.0 !!! CST-new
HCH+C2H5=CH3+C2H4       1.81E13     0.0      0.0 !!! CST-new

!     C2H4 ethylene reactions
C2H4+M=C2H2+H2+M        2.60E17     0.0  79297.0 !d
H2/2.5/  H2O/16.0/  CO/1.9/  CO2/3.8/  CH4/16.0/
C2H4+M=C2H3+H+M         1.40E16     0.0  82360.0 !b207
C2H4+O=CH2O+CH2         2.51E13     0.0   5000.0 !d
C2H4+H=C2H3+H2          1.33E06    2.53  12241.0 !b92
2HCH=C2H4               1.11E20   -3.43   2070.0 !86WESTMORELAND
HCH+CH3=C2H4+H          4.20E13     0.0      0.0 !86WESTMORELAND
CH3O+C2H3=CH2O+C2H4     2.41E13     0.0      0.0 !d51
CH2CO+CH2=C2H4+CO       1.60E14     0.0      0.0 !b151
C2H3+CH2O=C2H4+HCO      5.43E3     2.81   5862.0 !86TSA/HAM
C2H3+CH2OH=C2H4+CH2O    3.01E13     0.0      0.0 !87TSA
CH3+CH2=C2H4+H          4.94E13   -.076     94.0 !86WESTMORELAND
CH+CH4=C2H4+H           6.00E13     0.0      0.0 !b60
C2H4+O=CH3+HCO          1.60E09     1.2      746. !b93
C2H4+OH=C2H3+H2O        2.02E13     0.0   5955.0 !b94
C2H4+OH=CH3+CH2O        1.05E12     0.0    -916.0 !!! CST
C2H4+O2=C2H3+HO2        4.22E13     0.0  57594.0 !d
C2H4+CH3=C2H3+CH4       4.16E12     0.0  11127.2 !92BAU/COB
C2H4+O=OH+C2H3          1.51E07    1.91   3736.0 !87MAH/MAR
C2H4+C2H2=2C2H3         2.41E13     0.0    68360. !86TSA/HAM
C2H3+HCO=C2H4+CO        9.04E13     0.0      0.0 !86TSA/HAM

!     C2H3 vinyl radical or ethenyl reactions
C2H2+H2=C2H3+H          4.02E15    -.56  65800.0 !86WESTMORELAND
C2H3+O=CH2CO+H          3.00E13     0.0      0.0 !b104
C2H3+O=C2H2+OH          3.00E13     0.0      0.0 !92BAU/COB
C2H3+O=CO+CH3           3.00E13     0.0      0.0 !92BAU/COB
CH+HCH=C2H3             3.09E14   -1.98    620.0 !Westmorelandpaper
CH+CH3=C2H3+H           3.00E13     0.0      0.0 !b59
CH2+CH2=C2H3+H          2.00E13     0.0      0.0 !84FAR/JUS(1.6-2.3)
2HCH=C2H3+H             7.12E21    -3.9   2460.0 !86WESTMORELAND
CH2OH+C2H2=C2H3+CH2O    7.30E11     0.0   9004.0 !87TSA
C2H3+O=HCO+CH2          3.00E13     0.0      0.0 !92BAU/COB
C2H3+O2=C2H2+HO2        7.51E14   -1.04    2376. !93BOZ/DEA
C2H3+OH=C2H2+H2O        2.00E13     0.0      0.0 !b106
C2H3+C2H=2C2H2          3.00E13     0.0      0.0 !b108
C2H3+CH=HCH+C2H2        5.00E13     0.0      0.0 !b110
C2H3+CH3=C2H2+CH4       3.92E11     0.0      0.0 !86TSA/HAM
C2H3+CH2=CH3+C2H2       1.81E13     0.0      0.0 !86TSA/HAM
HCH+C2H3=CH3+C2H2       1.81E13     0.0      0.0 !!! CST

!     C2H2 acetylene reactions
C2H2+M=C2H+H+M          4.20E16     0.0   107000.  !b205
C2H2+O2=C2H+HO2         1.2E13      0.0   74475.0  !d
C2H2+H=CH+CH2           1.02E16     0.0  125076.0  !LEE93
C2H+H2=C2H2+H           4.09E05    2.39     864.0  !b101
C2H2+OH=C2H+H2O         3.37E07     2.0    14000.  !b111
C2H2+OH=HCCOH+H         5.04E5      2.3    13500.  !b112
C2H2+OH=CH2CO+H         2.18E-4     4.5    -1000.  !b113
C2H2+OH=CH3+CO          4.83E-4     4.0    -2000.  !b114
CH3OH+C2H=CH3O+C2H2     1.21E12     0.0       0.0  !87TSA
CH3OH+C2H=CH2OH+C2H2    6.03E12     0.0       0.0  !87TSA
C2H+CH4=C2H2+CH3        1.81E12     0.0     497.0  !86TSA/HAM
HCCO+CH=C2H2+CO         5.00E13     0.0       0.0  !b129
HCCO+HCCO=C2H2+2CO      1.00E13     0.0       0.0  !b130
HO2+C2H2=CH2CO+OH       6.03E09     0.0    7949.0  !86TSA/HAM
HCO+C2H=C2H2+CO         6.03E13     0.0       0.0  !86TSA/HAM
C+CH3=C2H2+H            5.00E13     0.0       0.0  !b63
CH2+C2H2=HCH+C2H2       4.00E13     0.0       0.0  !b 144
CH2+CH2=C2H2+H2         3.01E13     0.0       0.0  !!! CST
CH3O+C2H=CH2O+C2H2      2.41E13     0.0       0.0  !d52
2HCH=C2H2+2H            4.97E12    0.19    -150.0  !86WESTMORELAND
2HCH=C2H2+H2            4.02E14   -0.47     480.0  !86WESTMORELAND
CH+HCH=C2H2+H           2.50E12   -3.68    4190.0  !Westmorelandpaper
C2H+CH2OH=C2H2+CH2O     3.61E13     0.0       0.0  !87TSA
C2H+C2H=C2H2+C2         1.81E12     0.0       0.0  !86TSA/HAM
C2H+CH2=CH+C2H2         1.81E13     0.0       0.0  !86TSA/HAM
C2H2+O=C2H+OH           3.16E15    -0.6    15000.  !b116
C2H2+O=HCH+CO           1.40E06    2.09    1562.0  !a
C2H2+O=HCCO+H           5.80E6     2.09    1562.0  !a
HCH+C2H=CH+C2H2         1.81E13     0.0       0.0  !!! CST-new

!     CH2CO reactions
CH2CO+M=HCH+CO+M        3.60E15     0.0   59235.0  !d&b122
H2/2.5/  H2O/16.0/  CO/1.9/  CO2/3.8/  CH4/16.0/  CH3OH/5.0/
CH2CO+O=HCO+HCO         2.00E13     0.0    2293.0  !d
CH2CO+O=CH2+CO2         1.75E12     0.0    1350.0  !b117
CH2CO+H=HCCO+H2         5.00E13     0.0    8000.0  !b119
 CH2CO+O=HCCO+OH         1.00E13     0.0    8000.0  !b120
CH2O+CH=CH2CO+H         9.46E13     0.0    -515.0  !b56
!**   CH2+CO=CH2CO            6.125E08 -0.002       0.0  !! QRRKras
CH2+CO=CH2CO            6.03E08     0.0       0.0  !! HighP
CH2CO+OH=HCCO+H2O       7.50E12     0.0    2000.0  !b121
CH2CO+OH=CH2O+HCO       2.80E13     0.0       0.0  !d
CH2CO+OH=CH3O+CO        2.80E13     0.0       0.0  !92BAU/COB
HCCOH+H=CH2CO+H         1.00E13     0.0       0.0  !b115

!     HCCO Ketyl reactions
HCCO+H=CH2+CO           1.00E14     0.0       0.0  !b126
HCCO+O=2CO+H            1.00E14     0.0       0.0  !b127
!**   HCCO+H=HCCOH            7.544E38 -8.345      6449  !! QRRKras
HCCO+H=HCCOH            1.00E14     0.0       0.0  !! HighP
HCCO+OH=C2O+H2O         3.00E13     0.0       0.0  !b131
HCCO+O2=2CO+OH          1.46E12     0.0     2500.  !a
HO2+C2H=HCCO+OH         1.81E13     0.0       0.0  !86TSA/HAM
C2H+O2=HCCO+O           5.00E13     0.0    1500.0  !92BAU/COB
C2H+OH=HCCO+H           2.00E13     0.0       0.0  !b150

!     C2H ethynyl reactions
C2H+M=C2+H+M            4.68E16     0.0  124000.0  !86COL
C2H+O=CO+CH             5.00E13     0.0       0.0  !b152
C2H+O2=HCO+CO           2.41E12     0.0       0.0  !d122
C2H+O2=H+CO+CO          3.52E13     0.0       0.0  !b123
C2H+OH=CH2+CO           1.81E13     0.0       0.0  !86TSA/HAM
C2H+OH=C2+H2O           4.00E07     2.0    8000.0  !b154
C+HCH=C2H+H             5.00E13     0.0       0.0  !b64
CH+HCH=C2H+2H           5.49E22   -2.41   11520.0  !Westmorelandpaper
C2+H2=C2H+H             4.00E05     2.4    1000.0  !b155

!     C2O & C2  reactions
C2O+H=CH+CO             5.00E13     0.0       0.0  !b132
C2O+O=CO+CO             5.00E13     0.0       0.0  !b133
C2O+OH=CO+CO+H          2.00E13     0.0       0.0  !b134
C2O+O2=2CO+O            2.00E13     0.0       0.0  !b135
C2+OH=C2O+H             5.00E13     0.0       0.0  !b157
C2+O2=2CO               5.00E13     0.0       0.0  !b156

!     CH4 Methane reactions
CH4+O2=CH3+HO2          7.94E13     0.0   56000.0  !b24
CH4+H=CH3+H2            5.47E07    1.97   11210.0  !a
CH4+OH=CH3+H2O          5.72E06    1.96    2639.0  !a
CH4+HO2=CH3+H2O2        1.81E11     0.0   18580.0  !a

!     CH3OH methanol reactions
CH3OH+M=CH3+OH+M        3.50E16     0.0   66444.0  !!! CST
CH3OH+M=CH2OH+H+M       1.75E15     0.0   66444.0  !!! CST
CH3OH+M=CH2+H2O+M       7.00E15     0.0   66444.0  !!! CST-new
CH3OH+CH3=CH2OH+CH4     3.19E01    3.17    7172.0  !d165
CH3OH+CH3=CH3O+CH4      1.45E01    3.10    6935.0  !d166
CH3OH+HO2=H2O2+CH2OH    9.64E10     0.0   12579.0  !Corrected, ras
CH3OH+O=OH+CH2OH        3.80E05     2.5    3080.0  !d160
CH3OH+O=OH+CH3O         1.00E13     0.0    4684.0  !84WAR(.3-1.0)
CH3OH+O2=CH2OH+HO2      2.05E13     0.0   44717.0  !d163
CH3OH+OH=H2O+CH2OH      1.00E13     0.0    1697.0  !!! CST
CH3OH+OH=H2O+CH3O       1.00E13     0.0    1697.0  !!! CST
CH3OH+CH2OH=CH3OH+CH3O  7.83E09     0.0   12062.0  !87TSA
CH3OH+H=CH2OH+H2        3.98E13     0.0    6095.0  !!! CST
CH3OH+H=CH3O+H2         3.98E13     0.0    6095.0  !!! CST
CH3OH+HCH=CH2OH+CH3     1.58E12     0.0    5736.0  !!! CST-new

!     CH3O methoxy radical reactions[CH3O C2H5O-> alkoxy radicals]
CH3O+M=CH2O+H+M         9.37E24    -2.7   30590.0  !a
CH3O+H=CH2O+H2          2.00E13     0.0       0.0  !b38
CH3O+OH=CH2O+H2O        1.00E13     0.0       0.0  !b40
CH3O+O=CH2O+OH          1.00E13     0.0       0.0  !b42
CH3O+O2=CH2O+HO2        6.30E10     0.0    2600.0  !b44&a
CH3O+HO2=CH2O+H2O2      3.01E11     0.0       0.0  !d48
CH3O+CO=CH3+CO2         1.57E13     0.0   11797.0  !d49 Correct typo

!     CH2OH hydroxymethyl Rxns [CH2OH CH3CHOH->hydroxyalkyl radicals]
CH2OH+M=CH2O+H+M        1.67E24    -2.5   34190.0  !a
CH2OH+O=CH2O+OH         1.00E13     0.0       0.0  !b43
CH2OH+O2=CH2O+HO2       2.41E14     0.0    5000.0  !a
CH2OH+OH=CH2O+H2O       1.00E13     0.0       0.0  !b41
CH2OH+H=CH2O+H2         2.00E13     0.0       0.0  !b39
CH2OH+HO2=CH2O+H2O2     1.20E13     0.0       0.0  !d170
CH2OH+HCO=CH3OH+CO      1.20E14     0.0       0.0  !d171
CH2OH+CH2O=CH3OH+HCO    5.54E03    2.81    5682.0  !d173
2CH2OH=CH3OH+CH2O       4.82E12     0.0       0.0  !!! CST
CH2OH+HCO=2CH2O         1.81E14     0.0       0.0  !87TSA

!     CH3 methyl reactions
CH3+M=CH+H2+M           6.90E14     0.0   82500.0  !92BAU/COB
CH3+H(+M)=CH4(+M)       1.00E17    -0.8     315.0  !!! CST
LOW /7.00E33  -4.88  9.310/
TROE /0.7086  134.0  1784.0  5740.0/
H2/2.0/ CO/1.5/ CO2/2.0/ H2O/6.0/ CH4/2.0/ C2H6/3.0/ AR/0.7/
CH3+HO2=CH3O+OH         2.00E13     0.0    1076.0  !a
CH3+O=CH2O+H            6.03E13     0.0       0.0  !71DEA/KIS
CH3+O=CH3O              1.78E14   -2.14     603.0  !87DEA/WES
CH3+O2=CH3O+O           7.26E11    0.39   27363.0  !87DEA/WES
CH3+O2=CH2OH+O          1.29E13     0.0   26900.0  !92GLA
CH3+OH=CH3OH            1.24E43   -9.49   10471.0  !87DEA/WES
CH3+OH=CH2OH+H          1.09E11     0.4    -708.0  !!! CST-new
CH3+OH=CH3O+H           8.93E11   -0.02   13073.0  !87DEA/WES
CH3+OH=HCH+H2O          7.50E06     2.0    5000.0  !!! CST-new
CH3+OH=CH2O+H2          3.98E10   -0.02    8765.0  !87DEA/WES
CH3+HO2=CH2OH+OH        2.00E13     0.0       0.0  !92GLA
CH3+HCO=CH4+CO          1.20E14     0.0       0.0  !a
CH3+CH2OH=CH4+CH2O      2.41E12     0.0       0.0  !87TSA
CH3+CH3O=CH4+CH2O       2.41E13     0.0       0.0  !86TSA/HAM
CH3+CH2O=CH4+HCO        5.54E03    2.81    5863.0  !a

!     Triplet Methylene reactions
HCH+H+M=CH3+M          2.40E31    -4.38       0.0  !92GLA
HCH+H=CH+H2            1.00E18    -1.56       0.0  !b46
HCH+O=CO+2H            5.00E13      0.0       0.0  !b66
HCH+O=CO+H2            3.00E13      0.0       0.0  !b67
HCH+O2=CO2+2H          1.60E12      0.0    1000.0  !b68
HCH+O2=CH2O+O          5.00E13      0.0    9000.0  !b69
HCH+O2=CO2+H2          6.90E11      0.0     500.0  !b70
HCH+O2=CO+H2O          1.90E10      0.0   -1000.0  !b71
HCH+O2=CO+OH+H         8.60E10      0.0    -500.0  !b72
HCH+O2=HCO+OH          4.30E10      0.0    -500.0  !b73
HCH+OH=CH+H2O          1.13E07      2.0    3000.0  !b47
HCH+OH=CH2O+H          2.50E13      0.0       0.0  !b48
HCH+CO2=CH2O+CO        1.10E11      0.0    1000.0  !b65
CH2+M=HCH+M            1.00E13      0.0       0.0  !b136
H/0.0/   H2O/0.0/    C2H2/0.0/
HCH+HCO=CH3+CO         1.81E13      0.0       0.0  !!! CST-new
HCH+CH3O=CH3+CH2O      1.81E13      0.0       0.0  !!! CST-new

!     Singlet Methylene reactions
CH2+CH4=2CH3           4.00E13     0.0        0.0  !b137
CH2+H2=CH3+H           7.00E13     0.0        0.0  !140
CH2+H2O=HCH+H2O        3.00E13     0.0        0.0  !b142
CH2+H=HCH+H            2.00E14     0.0        0.0  !b145
CH2+O=H+H+CO           3.00E13     0.0        0.0  !b146
CH2+O=H2+CO            7.83E12     0.0        0.0  !!! CST
CH2+O2=CO2+2H          7.83E12     0.0        0.0  !!! CST
CH2+O2=O+CH2O          7.83E12     0.0        0.0  !!! CST
CH2+O2=H2+CO2          7.83E12     0.0        0.0  !!! CST
CH2+O2=H+CO+OH         7.83E12     0.0        0.0  !!! CST
CH2+OH=CH2O+H          3.01E13     0.0        0.0  !b147
CH2+H=CH+H2            3.01E13     0.0        0.0  !b148
CH2+CO2=CH2O+CO        3.00E12     0.0        0.0  !b149
CH2+HO2=CH2O+OH        3.01E13     0.0        0.0  !d
CH2+H2O2=CH3O+OH       3.01E13     0.0        0.0  !d
CH2+HCO=CO+CH3         1.81E13     0.0        0.0  !d
CH2+CH2O=HCO+CH3       1.20E12     0.0        0.0  !d
CH2+O=CH+OH            3.00E14     0.0     11923.  !84FAR/JUS(.9-2.3K)

!     CH2O formaldehyde reactions
CH2O+H=HCO+H2          2.19E08     1.8     3000.0  !b75 & f2
CH2O+M=HCO+H+M         3.31E16     0.0    81000.0  !b76
CH2O+O=HCO+OH          1.80E13     0.0     3080.0  !b77&a
CH2O+O2=HO2+HCO        1.23E06     3.0    52000.0  !f6
CH2O+HO2=HCO+H2O2      4.40E06     2.0    12000.0  !f9

!     CH methine & C reactions
CH+O=C+OH              1.52E13     0.0     4732.0  !86MUR/ROD
CH+O=CO+H              5.70E13     0.0        0.0  !b50
CH+O2=CO+OH            3.30E13     0.0        0.0  !92BAU/COB
CH+O2=HCO+O            3.30E13     0.0        0.0  !b49
CH+OH=HCO+H            3.00E13     0.0        0.0  !b51
CH+OH=C+H2O            4.00E07     2.0     3000.0  !b52
CH+CO2=HCO+CO          3.40E12     0.0      690.0  !b53
CH+H=C+H2              1.50E14     0.0        0.0  !b54
CH+H2O=CH2O+H          1.17E15   -0.75        0.0  !b55
CH+H2O=CH2OH           5.71E12     0.0     -755.0  !88ZAB/FLE3
C+O2=CO+O              2.00E13     0.0        0.0  !b61
C+OH=CO+H              5.00E13     0.0        0.0  !b62

!HCO aldehyde reactions
HCO+O=CO2+H            3.00E13     0.0        0.0  !b82
HCO+O2=CO2+OH          3.31E12    -0.4        0.0  !92BAU/COB
HCO+HO2=CO2+OH+H       3.00E13     0.0        0.0  !d
HCO+CH3O=CH3OH+CO      9.04E13     0.0        0.0  !86TSA/HAM
2HCO=CH2O+CO           4.50E13     0.0        0.0  !g
HCO+O2=CO+HO2           3.3E13    -0.4        0.0  !b83
HCO+OH=CO+H2O          3.02E13     0.0        0.0  !a
HCO+H=CO+H2            2.00E14     0.0        0.0  !e
HCO+O=CO+OH            3.00E13     0.0        0.0  !b81
2HCO=2CO+H2            3.01E12     0.0        0.0  !!! CST-new

!CO & CO2  reactions
CO+O2=CO2+O            2.51E12     0.0    47690.0  !a
CO+HO2=CO2+OH          1.50E+14  0.0  23650. !Tan 1994

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END