SURFACE MECHANISM FOR STEAM REFORMING AND PARTIAL OXIDATION OF METHANE OVER RHODIUM
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****                                                                  *
****     SR/CPO CH4 ON RH - SURFACE MECHANISM                         *
****                                                                  *
****     Version 2.0, March  2008                                     *
****     L. Maier, O. Deutschmann                                     *
****     KIT (Karlsruhe Institute of Technology)                      *
****     Contact: mail@detchem.com (O. Deutschmann)                   * 
****                                                                  *
****     References:                                                  *
****     J. Thormann, L. Maier, P. Pfeifer, U. Kunz, K. Schubert,     *
****     O. Deutschmann.International J. Hydrogen Energy              *
****     34 (2009), 5108-5120                                         * 
****     www.detchem.com/mechanisms                                   * 
****                                                                  *
****     Kinetic data:                                                *
****      k = A * T**b * exp (-Ea/RT)         A          b       Ea   *
****                                       (cm,mol,s)    -     kJ/mol *
****                                                                  *
****     STICK: A in next reaction is initial sticking coefficient    *
****                                                                  *
****                                                                  *
****     (DETCHEM format)                                             *
****                                                                  * 
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STICK
H2      +RH(s)   +RH(s)   >H(s)    +H(s)      0.010E-00  0.0       0.0
H(s)    +H(s)    >RH(s)   +RH(s)   +H2        3.000E+21  0.0      77.8
******
STICK
O2      +RH(s)   +RH(s)   >O(s)    +O(s)      0.010E-00  0.0       0.0
O(s)    +O(s)    >RH(s)   +RH(s)   +O2        1.300E+22  0.0     355.2
******
STICK
CH4     +RH(s)            >CH4(s)             8.000E-03  0.0       0.0
CH4(s)           >CH4     +RH(s)              2.000E+14  0.0      25.1
******
STICK
H2O     +RH(s)   >H2O(s)                      1.000E-01  0.0       0.0
H2O(s)           >H2O     +RH(s)              6.000E+13  0.0      45.0
******
STICK
CO2     +RH(s)   >CO2(s)                      1.000E-05  0.0       0.0
CO2(s)           >CO2     +RH(s)              3.000E+08  0.0      21.7
******
STICK
CO      +RH(s)   >CO(s)                       5.000E-01  0.0       0.0
CO(s)            >CO      +RH(s)              1.000E+13  0.0     133.4
$CO(s)                                        0.0        0.0      50.0
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H(s)    +O(s)    >OH(s)   +RH(s)              5.000E+22  0.0      83.7
OH(s)   +RH(s)   >H(s)    +O(s)               3.000E+20  0.0      37.7
******
H(s)    +OH(s)   >H2O(s)  +RH(s)              3.000E+20  0.0      33.5
H2O(s)  +RH(s)   >H(s)    +OH(s)              5.000E+22  0.0     106.4
******
OH(s)   +OH(s)   >H2O(s)  +O(s)               3.000E+21  0.0     100.8
H2O(s)  +O(s)    >OH(s)   +OH(s)              3.000E+21  0.0     171.8
***********************************************************************
C(s)    +O(s)    >CO(s)   +RH(s)              5.000E+23  0.0      97.9
CO(s)   +RH(s)   >C(s)    +O(s)               3.700E+21  0.0     169.0
$CO(s)                                        0.0        0.0      50.0
******  ***
CO(s)   +O(s)    >CO2(s)  +RH(s)              1.000E+19  0.0     121.6
$CO(s)                                        0.0        0.0      50.0
CO2(s)  +RH(s)   >CO(s)   +O(s)               5.000E+21  0.0     115.3
***********************************************************************
CO(s)   +H(s)    >HCO(s)  +RH(s)              5.000E+19  0.0     108.9
HCO(s)  +RH(s)   >CO(s)   +H(s)               3.700E+21  0.0       0.0
$CO(s)                                        0.0        0.0     -50.0
******  ***
HCO(s)  +RH(s)   >CH(s)   +O(s)               8.000E+23  0.0      59.5
CH(s)   +O(s)    >HCO(s)  +RH(s)              3.700E+21  0.0     167.5
***********************************************************************
CH4(s)  +RH(s)   >CH3(s)  +H(s)               5.500E+20  0.0      61.0
CH3(s)  +H(s)    >CH4(s)  +RH(s)              3.700E+21  0.0      51.0
******
CH3(s)  +RH(s)   >CH2(s)  +H(s)               3.700E+24  0.0     103.0
CH2(s)  +H(s)    >CH3(s)  +RH(s)              3.700E+21  0.0      44.0
******
CH2(s)  +RH(s)   >CH(s)   +H(s)               3.700E+24  0.0     100.0
CH(s)   +H(s)    >CH2(s)  +RH(s)              3.700E+24  0.0      68.0
******
CH(s)   +RH(s)   >C(s)    +H(s)               3.700E+21  0.0      21.0
C(s)    +H(s)    >CH(s)   +RH(s)              3.700E+21  0.0     172.8
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CH4(s)  +O(s)    >CH3(s)  +OH(s)              1.700E+24  0.0      80.34
CH3(s)  +OH(s)   >CH4(s)  +O(s)               3.700E+21  0.0      24.27
******
CH3(s)  +O(s)    >CH2(s)  +OH(s)              3.700E+24  0.0     120.31
CH2(s)  +OH(s)   >CH3(s)  +O(s)               3.700E+21  0.0      15.06
******
CH2(s)  +O(s)    >CH(s)   +OH(s)              3.700E+24  0.0     114.5
CH(s)   +OH(s)   >CH2(s)  +O(s)               3.700E+21  0.0      36.82
******
CH(s)   +O(s)    >C(s)    +OH(s)              3.700E+21  0.0      30.13
C(s)    +OH(s)   >CH(s)   +O(s)               3.700E+21  0.0     136.
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CO(s)   +H(s)    >C(s)    +OH(s)              3.700E+21  0.0     142.76
C(s)    +OH(s)   >CO(s)   +H(s)               3.700E+20  0.0      25.54
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END