Reaction mechanisms for methane Catalyst
1) Surface reactions : Catalytic combustion of hydrogen, carbon monoxide, and methane on platinum
Platinum
Rhodium
Version: 1.2 (November 1995)
Evaluation: Comparison between calculated and experimentally determined catalytic ignition temperatures for a) stagnation point flows on an electrically heated platinum foils b) flows around an electrically heated platinum wires
Reference: O. Deutschmann, R. Schmidt, F. Behrendt, J. Warnatz. Proc. Combust. Inst. 26 (1996) 1747-1754.
Palladium
Nickel
Platinum/Rhodium
 
 
 
Fuel on surface
Hydrogen
Methane
Ethane
Propene
Propane
2)Surface and gas phase reactions: Catalytic partial oxidation of methane over Pt gauze  
Version: 1.0 (Spring 2005)
Evaluation: Surface: Comparison between calculated and experimentally determined product composition in a Pt wire gauze reactor; Gas-phase: Reduced mechanism of
Reference: R. Quiceno, J. Pérez-Ramírez, J. Warnatz, O. Deutschmann. Applied Catalysis A: General, 303 (2006) 166–176
Gasphase kinetics
Ethylene
Acetylene
Propene
 
 
 
   
3) Surface reactions: Catalytic partial oxidation of methane on rhodium  
Version: 1.0 (February 13, 2001)
Evaluation: Comparison between calculated and experimentally determined selectivity and conversion for
short-contact-time reactors using honeycomb monoliths
Reference: O. Deutschmann, R. Schwiedernoch, L.I. Maier, D. Chatterjee. Natural Gas Conversion VI, Studies in Surface Science and Catalysis 136, E. Iglesia, J.J. Spivey, T.H. Fleisch (eds.), p. 215-258, Elsevier, 2001
 
 
   
4) Surface reactions: Reforming and oxidation of methane on nickel  
Version: 1.2 (March 2006)
Evaluation: Comparison between calculated and experimentally determined selectivity and conversion over Ni coated monoliths (Ni/Al2O3)
Reference: L. Maier, B. Schaedel, S. Tischer, O. Deutschmann, submitted to Catal. Lett.
 
 
 
   
5) Surface reactions: Methane reforming kinetics within a Ni–YSZ SOFC anode support  
Version: 1.0 (January 2005)
Evaluation: Comparison between calculated and experimentally determined selectivity and conversion
Reference: E. Hecht, G.K. Gupta, H. Zhu. A.M. Dean, R.J. Kee, L. Maier, O. Deutschmann. Applied Catalysis A: General 295 (2005) 40–51
 
  • CH4/H2O/CO2/Ni Chemkin Format
 
 
Version: 1.2 (March 2006), Extension of temperature range
Evaluation: Comparison between calculated and experimentally determined selectivity and conversion    Reference: V.M. Janardhanan, O. Deutschmann. Journal of Power Sources 162 (2006), 1192-1202
 
  • CH4/H2O/CO2/Ni DETCHEM Format
  • Thermodynamic data