Development of a pressure dependent reaction model for methane/methanol mixtures under pyrolytic and oxidative conditions and comparison with experiment

Document Type

Conference Proceeding

Publication Date

3-1-2002

Abstract

Methanol experimental data were obtained under pyrolysis, fuel lean, and stoichiometric mixtures with methane in a flow reactor. Methanol pyrolysis experiments were performed under isothermal conditions of 1073 K over 1-10 atm. Oxidation environments were performed at 873-1073 K and 1-5 atm with varying ratios of the two fuels. A pressure dependent mechanism for methane/methanol oxidation and pyrolysis reaction system was developed and compared with experimental data. Pressure and temperature dependent rate constants were determined by utilizing quantum RRK analysis on bimolecular (chemical activation) association, addition and insertion reactions, and in unimolecular dissociation and isomerization reaction systems, combined with "modified strong collision" treatment for fall-off. Methane oxidation increased significantly with addition of methanol. Several channels of CH3OH unimolecular decomposition were much lower in energy than CH4 and, therefore, faster than CH4 decomposition. Therefore, propagation reactions in CH3OH oxidation occurred more rapidly than CH4 oxidation.

Identifier

0344120293 (Scopus)

Publication Title

ACS Division of Fuel Chemistry Preprints

ISSN

05693772

First Page

98

Last Page

102

Issue

1

Volume

47

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