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Project Title:

Computational simulation and experimental investigation of the catalytic combustion of hydrogen

Ref.No.: 93

Project Type and Category:

Basic research

Project Duration:

1992 - 1996

Project Participants:

Interdisziplinäres Zentrum für wissenschaftliches Rechnen IWR
Prof. Dr. Jürgen Warnatz

Sponsor:

Industry, DFG

Project Budget and
Funding:

Approx. 200 000 DM

Project Description and Objectives:

Computational Simulation and experimental investigation of the catalytic combustion of hydrogen on platinum and palladium.
The catalytic combustion of hydrogen at atmospheric pressure on polycristalline platinum and palladium surfaces is studied numerically and experimentally. The dependence of the catalytic oxidation process on fuel concentration, instationary phenomena like ignition and extinction, hysteresis-like behaviour, and the rate-limiting steps are considered. Detailed heterogeneous reaction mechanism are discussed.

Technical Goals:

Computational Simulation and experimental investigation of the catalytic combustion of hydrogen.

Project Status

Finalized

Preliminary or Final Results:

The ignition temperatures are measured and calculated for different fuel concentrations and increase with increasing H2/O2 ratio. A quantitative agreement between experimental and numerical results is achieved. The ignition behaviour can be explained considering the elementary steps at the gas-surface interface. By sensitivity analysis, the adsoption/desorption kinetics is found to be crucial for the ignition. After ignition the catalytic combustion is - as expected - limited by mass transport of reactant towards and products away from the catalyst.

Related Reference Papers and Other Publications:

J. Warnatz, M.D. Allendorf, R.J. Kee, M.E. Coltrin: A Model of hydrogen-Oxygen Combustion on Flat-Plate Platinum Catalyst. Combust. Flame 96, 393-406 (1994)
F. Behrendt, O. Deutschmann, R. Schmidt, J. Warnatz: Ignition and Extinction of Hydrogen-Air and Methane-Air Mixtures over Platinum and Palladium, in: B.K. Warren, S.T. Oyama (Eds.), Heteregeneous Hydrocarbon Oxidation, S. 48-57. ACS Symposium Series 638 (1996)
O. Deutschmann, R. Schmidt, F. Behrendt, J. Warnatz: Numerical Modelling of Catalytic Ignition. 26th Symposium (International) on Combustion, pp. 1747-1754. The Combustion Institute, Pittsburgh (1997).
J. Warnatz: Computational Simulation and Experimental Investigation of the Catalytic Combustion of Hydrogen on Platinum and Palladium, in: J.C. Bolcich, T.N. Veziroglu (Eds.), Hydrogen Energy Progress XII. Editorial Asociación Argentina del Hidrógeno, Buenos Aires

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Project Title: Computational simulation and experimental investigation of the catalytic combustion of hydrogen		Ref.No.: 93
Project Type and Category:	Basic research
Project Duration:	1992 - 1996
Project Participants:	Interdisziplinäres Zentrum für wissenschaftliches Rechnen IWR Prof. Dr. Jürgen Warnatz
Sponsor:	Industry, DFG
Project Budget and Funding:	Approx. 200 000 DM
Project Description and Objectives:	Computational Simulation and experimental investigation of the catalytic combustion of hydrogen on platinum and palladium. The catalytic combustion of hydrogen at atmospheric pressure on polycristalline platinum and palladium surfaces is studied numerically and experimentally. The dependence of the catalytic oxidation process on fuel concentration, instationary phenomena like ignition and extinction, hysteresis-like behaviour, and the rate-limiting steps are considered. Detailed heterogeneous reaction mechanism are discussed.
Technical Goals:	Computational Simulation and experimental investigation of the catalytic combustion of hydrogen.
Project Status	Finalized
Preliminary or Final Results:	The ignition temperatures are measured and calculated for different fuel concentrations and increase with increasing H2/O2 ratio. A quantitative agreement between experimental and numerical results is achieved. The ignition behaviour can be explained considering the elementary steps at the gas-surface interface. By sensitivity analysis, the adsoption/desorption kinetics is found to be crucial for the ignition. After ignition the catalytic combustion is - as expected - limited by mass transport of reactant towards and products away from the catalyst.
Related Reference Papers and Other Publications:	J. Warnatz, M.D. Allendorf, R.J. Kee, M.E. Coltrin: A Model of hydrogen-Oxygen Combustion on Flat-Plate Platinum Catalyst. Combust. Flame 96, 393-406 (1994) F. Behrendt, O. Deutschmann, R. Schmidt, J. Warnatz: Ignition and Extinction of Hydrogen-Air and Methane-Air Mixtures over Platinum and Palladium, in: B.K. Warren, S.T. Oyama (Eds.), Heteregeneous Hydrocarbon Oxidation, S. 48-57. ACS Symposium Series 638 (1996) O. Deutschmann, R. Schmidt, F. Behrendt, J. Warnatz: Numerical Modelling of Catalytic Ignition. 26th Symposium (International) on Combustion, pp. 1747-1754. The Combustion Institute, Pittsburgh (1997). J. Warnatz: Computational Simulation and Experimental Investigation of the Catalytic Combustion of Hydrogen on Platinum and Palladium, in: J.C. Bolcich, T.N. Veziroglu (Eds.), Hydrogen Energy Progress XII. Editorial Asociación Argentina del Hidrógeno, Buenos Aires