Evaluated Kinetic Data for Combustion Modeling. Supplement I

TLDR

The compilation updates and expands a prior evaluation of kinetic data for elementary, homogeneous, gas‑phase reactions of neutral species in combustion systems. The study expands the previous compilation to include reactions relevant to methane, ethane, aromatic combustion and key radicals in higher‑alkane combustion. Each data sheet presents thermodynamic data, experimental kinetics, references, and recommended rate parameters with error limits. The compilation includes data sheets for 78 reactions and tables of preferred rate parameters for ethyl, i‑propyl, t‑butyl, and allyl radicals, plus a summary table of recommended rates. The data are published in J.

Abstract

This compilation updates and expands a previous evaluation of kinetic data on elementary, homogeneous, gas phase reactions of neutral species involved in combustion systems [J. Phys. Chem. Ref. Data 21, 411 (1992)]. The work has been carried out under the auspices of the European Community Energy Research and Development Program. Data sheets are presented for some 78 reactions and two tables in which preferred rate parameters are presented for reactions of ethyl, i-propyl, t-butyl, and allyl radicals are given. Each data sheet sets our relevant thermodynamic data, experimental kinetic data, references, and recommended rate parameters with their error limits. A table summarizing the recommended rate data is also given. The new reactions fall into two categories: first, to expand the previous compilation relating largely to the combustion in air of methane, ethane and aromatic compounds; and second, provide data for some of the key radicals involved in the combustion of higher alkanes.