SURFACE MECHANISM OF THE PARTIAL OXIDATION OF CH4 ON RHODIUM *********************************************************************** **** * **** CPO OF CH4 ON Rh - SURFACE MECHANISM * **** * **** Version 1.1 March, 2003 * **** * **** R. Schwiedernoch, L. Maier, O. Deutschmann, * **** Karlsruhe University, Germany * **** * **** * **** Ref: R. Schwiedernoch, S. Tischer, C. Correa, O. Deutschmann.* **** Experimental and Numerical Study of the Transient Behavior of * **** a Catalytic Partial Oxidation Monolith, Chem. Eng. Sci. 58 * **** (2003), 633-642 * **** * **** * **** 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 * **** * **** $.. : additional coverage dependence of Ea (3rd column) * **** or changed reaction order (2nd column) * **** * **** (DETCHEM format) * **** * *********************************************************************** *********************************************************************** **** 1. ADSORPTION *********************************************************************** STICK H2 +Rh(s) +Rh(s) >H(s) +H(s) 0.010E-00 0.0 0.0 STICK O2 +Rh(s) +Rh(s) >O(s) +O(s) 0.010E-00 0.0 0.0 STICK CH4 +Rh(s) >CH4(s) 8.000E-03 0.0 0.0 STICK H2O +Rh(s) >H2O(s) 1.000E-01 0.0 0.0 STICK CO2 +Rh(s) >CO2(s) 1.000E-05 0.0 0.0 STICK CO +Rh(s) >CO(s) 5.000E-01 0.0 0.0 *********************************************************************** **** 2. DESORPTION *********************************************************************** H(s) +H(s) >Rh(s) +Rh(s) +H2 3.000E+21 0.0 77.8 O(s) +O(s) >Rh(s) +Rh(s) +O2 1.300E+22 0.0 355.2 $O(s) 0.0 0.0 280.0 H2O(s) >H2O +Rh(s) 3.000E+13 0.0 45.0 CO(s) >CO +Rh(s) 3.500E+13 0.0 133.4 $CO(s) 0.0 0.0 15.0 CO2(s) >CO2 +Rh(s) 1.000E+13 0.0 21.7 CH4(s) >CH4 +Rh(s) 1.000E+13 0.0 25.1 *********************************************************************** **** 3. SURFACE REACTIONS *********************************************************************** 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 0.0 104.7 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) 3.000E+22 0.0 97.9 CO(s) +Rh(s) >C(s) +O(s) 2.500E+21 0.0 169.0 CO(s) +O(s) >CO2(s) +Rh(s) 1.400E+20 0.0 121.6 CO2(s) +Rh(s) >CO(s) +O(s) 3.000E+21 0.0 115.3 *********************************************************************** CH4(s) +Rh(s) >CH3(s) +H(s) 3.700E+21 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+21 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 *********************************************************************** CH4(s) +O(s) >CH3(s) +OH(s) 1.700E+24 0.0 80.3 CH3(s) +OH(s) >CH4(s) +O(s) 3.700E+21 0.0 24.3 CH3(s) +O(s) >CH2(s) +OH(s) 3.700E+24 0.0 120.3 CH2(s) +OH(s) >CH3(s) +O(s) 3.700E+21 0.0 15.1 CH2(s) +O(s) >CH(s) +OH(s) 3.700E+24 0.0 158.4 CH(s) +OH(s) >CH2(s) +O(s) 3.700E+21 0.0 36.8 CH(s) +O(s) >C(s) +OH(s) 3.700E+21 0.0 30.1 C(s) +OH(s) >CH(s) +O(s) 3.700E+21 0.0 145.5 *********************************************************************** END