Bentolhoda Torkashvand, Lubow Maier, Patrick Lott, Thomas Schedlbauer, Maria Casapu, Jan-Dierk Grunwaldt and Olaf Deutschmann, Formaldehyde Oxidation over Platinum: On the Kinetic Relevant to Exhaust Condition of Lean-Burn Natural Gas Engines, Topics in Catalysis 2018.
SURFACE MECHANISM FOR OXIDATION OF FORMALDEHYDE OVER PLATINUM *********************************************************************** **** * **** CH2O/O2 OVER PT - SURFACE MECHANISM * **** thermodynamically consistent (273 - 1273K) * **** * **** B. TORKASHVAND, L. MAIER, O. DEUTSCHMANN * **** KIT (Karlsruhe Institute of Technology) * **** * **** References: * **** B. Torkashvand, L. Maier; P. Lott; T. Schedlbauer, * **** J.-D. Grunwaldt, O. Deutschmann. Top Catal (2018) * **** https://doi.org/10.1007/s11244-018-1087-y * **** www.detchem.com/mechanisms * **** KIT (Karlsruhe Institute of Technology) * **** Contact: [email protected] (O. Deutschmann) * **** 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) * **** * *********************************************************************** STICK Pt(s) +Pt(s) +H2 >H(s) +H(s) 6.449E-02 -0.046 -0.261 STICK O2 +Pt(s) +Pt(s) >O(s) +O(s) 3.537E-02 0.001 -0.088 STICK H2O +Pt(s) >H2O(s) 3.918E-01 0.026 0.126 STICK CO2 +Pt(s) >CO2(s) 4.046E-05 -0.027 0.049 STICK CO +Pt(s) >CO(s) 7.603E-01 0.008 -0.185 STICK CH2O +Pt(s) >CH2O(s) 9.729E-01 0.005 0.034 H(s) +H(s) >H2 +Pt(s) +Pt(s) 1.295E+21 0.185 75.446 O(s) +O(s) >O2 +Pt(s) +Pt(s) 2.323E+21 -0.002 213.611 $O(s) 0.000 90.000 H2O(s) >H2O +Pt(s) 8.055E+14 -0.106 39.695 CO(s) >CO +Pt(s) 4.471E+12 -0.030 134.638 $CO(s) 0.000 40.000 CO2(s) >CO2 +Pt(s) 2.332E+08 0.110 14.902 CH2O(s) >CH2O +Pt(s) 1.439E+15 -0.079 7.160 H(s) +O(s) >Pt(s) +OH(s) 2.419E+21 -0.095 85.249 $O(s) 0.000 45.000 Pt(s) +OH(s) >H(s) +O(s) 6.201E+20 0.095 63.701 H(s) +OH(s) >H2O(s) +Pt(s) 5.550E+21 -0.100 9.497 H2O(s) +Pt(s) >H(s) +OH(s) 2.703E+21 0.100 127.653 OH(s) +OH(s) >H2O(s) +O(s) 2.177E+21 -0.005 99.998 H2O(s) +O(s) >OH(s) +OH(s) 4.135E+21 0.005 239.702 $O(s) 0.000 45.000 C(s) +O(s) >CO(s) +Pt(s) 5.200E+21 0.000 0.400 $O(s) 0.000 45.000 CO(s) +Pt(s) >C(s) +O(s) 2.500E+21 0.000 226.300 $CO(s) 0.000 40.000 CO(s) +O(s) >CO2(s) +Pt(s) 2.332E+20 0.110 79.902 $O(s) 0.000 45.000 $CO(s) 0.000 40.000 CO2(s) +Pt(s) >CO(s) +O(s) 1.286E+23 -0.110 137.178 CO(s) +H(s) >Pt(s) +HCO(s) 1.105E+20 -0.087 150.367 $CO(s) 0.000 40.000 Pt(s) +HCO(s) >CO(s) +H(s) 1.673E+21 0.087 0.633 O(s) +HCO(s) >CO(s) +OH(s) 2.843E+22 -0.008 -0.093 $O(s) 0.000 45.000 CO(s) +OH(s) >O(s) +HCO(s) 4.815E+20 0.008 128.093 $CO(s) 0.000 40.000 CH2O(s) +Pt(s) >H(s) +HCO(s) 4.908E+21 0.087 45.633 H(s) +HCO(s) >CH2O(s) +Pt(s) 2.789E+21 -0.087 55.167 CH2O(s) +O(s) >OH(s) +HCO(s) 9.694E+21 -0.008 26.907 $O(s) 0.000 45.000 OH(s) +HCO(s) >CH2O(s) +O(s) 1.412E+21 0.008 14.893 ENDDownload