Fundamental Mechanistic Studies of Catalytic Hydrogen Production and Utilization
EMSL Project ID
30209
Abstract
This project will apply a unique capability at PNNL for heterogeneous catalysis R&D employing isotopic transient kinetic analysis (ITKA) techniques with mass spectroscopic and in-situ transmission FTIR analyses. The apparatus will enable an in situ probe of adsorbed reactants/intermediates/products on catalyst surfaces, as well as measuring gas phase concentrations to elucidate reaction mechanisms and kinetic parameters. Crucial to this effort will be computational modeling on high performance computers of the elementary reaction kinetics (i.e., reactant adsorption, dissociation, diffusion and reaction, and product desorption). The resulting data will be interpreted and applied to develop microkinetic models for catalytic reactions of importance to the USs future energy, environment, and economic security. Particular attention will be given to reactions of interest to the Presidents hydrogen economy initiative (e.g., fuel reforming, water-gas shift chemistries, partial oxidation of CO under hydrogen-rich environments-PROX, methane activation chemistries, and additional systems as they develop).
Project Details
Project type
Large-Scale EMSL Research
Start Date
2008-08-22
End Date
2011-09-30
Status
Closed
Released Data Link
Team
Principal Investigator
Team Members