Catalytic decomposition of formic acid on oxide catalysts - an impulse-oscillation model approach to the unimolecular mechanism

An impulse-oscillation model (IOM) was used for a time description of catal ytic acts in the reactions of catalytic decomposition of formic acid on oxi de catalysts. The results of computation using the model show that for the dehydrogenation reaction the most important modes are the OCO bending in bi dentate adsorbed formate ion and OH stretching on the catalyst surface whil e for the dehydration the asymmetric stretching OCO mode in the monodentate adsorbed formate ion and metal-oxygen stretching mode on oxide catalysts. These findings confirm the results obtained [R. Larsson, M,H. Jamroz, M.A. Borowiak, J. Mel. Catal. A: Chem. 129 (1998) 41] in our previous analysis o f the SET model. Assuming the synchronization of eight vibrators to be impo rtant in the reactions system considered in the present paper, the IOM meth od predicted ranges of wavenumbers which are close to those wavenumbers fou nd starting from the idea of a stepwise variation of activation energies. T he best ranges for the dehydrogenation reaction are proposed. (C) 1999 Publ ished by Elsevier Science B.V. All rights reserved.