Vol.28 No.4(1993.12)
Research Report

Estimation of Rate Parameters in Low Temperature Oxidation of Alkanes

Shinji Kojima


Rate parameters for nine types of reactions, which are supposed to be important in the low temperature chemistry of alkane oxidation, were estimated based on the knowledge of thermochemistry described in literature available. The estimation includes the low temperature degenerate branching reaction O2QOOH→ R'OOH+OH, isomerization RO2→ QOOH, The reactions following or preceding them, and others. The results of computer simulation using a model of n-butane autoignition chemistry, which was constructed with the reactions estimated in this article , is also presented.

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