Reaction mechanisms on Platinum (Pt)

1) Surface reactions : Catalytic combustion of hydrogen, carbon monoxide, and methane on platinum

Version: 1.2 (November 1995)
Evaluation: evaluated by 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.

2) Surface and gas phase reactions: Oxy-dehydrogenation of ethane on platinum

Version:1.0 (Spring 2000)
Evaluation: validated by comparison between calculated and experimentally determined selectivity and conversion of C2H6 to C2H4 and H2 in CSTR reactor (C2H6/O2 = 1.5 – 2.1, 800 – 1250K) using ceramic-foam Pt coated monoliths. CSTR fluid-flow model was coupled with the both detailed gas phase and surface kinetics.
Reference: D.K. Zerkle, M.D. Allendorf, M. Wolf, O. Deutschmann. J. Catal. 196 (2000) 18-39.

3) Surface and gas phase reactions: Catalytic partial oxidation of methane over Pt gauze

Version: 1.1 (2006)
Evaluation:Gas-phase mechanism C1-4 2005: "R. Quiceno, O. Deutschmann, J. Warnatz, European Combustion Meeting 2005. Louvain-la-Neuve, 3-6 April 2005, Belgian Section of the Combustion Institute paper, Chemical kinetics section, paper 29" was reduced for CFD applications combined detailed homogeneous/heterogeneous kinetic model was evaluated by comparison between calculated and experimentally determined product composition in a Pt wire gauze reactor (1.3 bar, 700 - 1100K, CH4/O2 = 2.5, residence time 36s).
Reference:R. Quiceno, J.Perez-Ramirez, J. Warnatz, O. Deutschmann. Applied Catalysis A: General, 303 (2006) 166-176

4) Surface reactions: Pt-catalyzed conversion of automotive exhaust gases (NSC - NOx Storage Reduction Catalyst)

Version: 1.0 (2009)
Evaluation: evaluated by comparison between simulated and experimentally determined species concentrations in a flat bed reactor using a realistic model exhaust gas of a diesel engine for lean and rich phases including CO, CO2, O2, H2O, NO, NO2 and C3H6 species. Furthermore, the model is also applied for the simulation of emissions of hydrocarbons, CO, and NO from a gasoline engine (stoichiometric exhaust gas) in a dynamic engine test bench.
Reference: J. Koop, O. Deutschmann. Detailed surface reaction mechanism for Pt-catalyzed abatment of automotive exhaust gases. Appl. Catal.B: Environmental 91 (2009), 47-58

5) Surface reactions: Three-way catalytic converter ( Pt/Rh )

Version:1.0 (2001)
Evaluation: the mechanism was validated on steady state experiments in flow reactor with commercial Pt/Rh coated three-way catalytic converter. Experimentally measured species (CO, NO, C3H6) profiles at nearly stoichiometric (λox=0.9), rich (λox=0.5), and lean (λox=1.8) conditions (T = 400- 900K) were compared with 2D Fluent simulation coupled with detailed surface kinetics.
Reference: D. Chatterjee, O. Deutschmann, J. Warnatz. Faraday Discussions 119 (2001) 371-384.


Fuel on Surface

Gasphase kinetics