May 01, 1992 | D. L. Baulch; C. J. Cobos; R. A. Cox; C. Esser; P. Frank; Th. Just; J. A. Kerr; M. J. Pilling; J. Troe; R. W. Walker; J. Warnatz
This article presents evaluated kinetic data for combustion modeling, compiled by D. L. Baulch and colleagues. The data cover 196 elementary gas-phase reactions relevant to combustion processes, particularly those involving methane and ethane in air. Each reaction is accompanied by thermodynamic data, rate coefficient measurements, reliability assessments, and references. The data are organized into tables and data sheets, with preferred rate parameters provided as temperature-dependent expressions. The study includes reactions related to exhaust gas chemistry and aromatic compound combustion. The evaluation process involved extensive literature review and analysis, with data sheets formatted to ensure clarity and consistency. Rate coefficients are expressed in terms of Arrhenius or modified Arrhenius forms, and error limits are assigned based on data quality. The reliability of the data is assessed, with error limits in log(k) provided at the extremes of the temperature range. The study also addresses the treatment of combination and dissociation reactions, considering the influence of third-body effects and pressure dependence. Thermodynamic data are derived from a comprehensive compilation, with some discrepancies noted. The work provides a critical evaluation of kinetic data for use in combustion modeling, with recommendations for rate coefficients and error limits. The data are summarized in tables, and detailed comments are provided for each reaction, including experimental methods and sources. The study is part of a broader project on chemical kinetics in combustion, and the data are intended for use in computer models of combustion processes.This article presents evaluated kinetic data for combustion modeling, compiled by D. L. Baulch and colleagues. The data cover 196 elementary gas-phase reactions relevant to combustion processes, particularly those involving methane and ethane in air. Each reaction is accompanied by thermodynamic data, rate coefficient measurements, reliability assessments, and references. The data are organized into tables and data sheets, with preferred rate parameters provided as temperature-dependent expressions. The study includes reactions related to exhaust gas chemistry and aromatic compound combustion. The evaluation process involved extensive literature review and analysis, with data sheets formatted to ensure clarity and consistency. Rate coefficients are expressed in terms of Arrhenius or modified Arrhenius forms, and error limits are assigned based on data quality. The reliability of the data is assessed, with error limits in log(k) provided at the extremes of the temperature range. The study also addresses the treatment of combination and dissociation reactions, considering the influence of third-body effects and pressure dependence. Thermodynamic data are derived from a comprehensive compilation, with some discrepancies noted. The work provides a critical evaluation of kinetic data for use in combustion modeling, with recommendations for rate coefficients and error limits. The data are summarized in tables, and detailed comments are provided for each reaction, including experimental methods and sources. The study is part of a broader project on chemical kinetics in combustion, and the data are intended for use in computer models of combustion processes.