Base Construction of the Comprehensive and Universal Combustion Kinetic Model

点击翻译按钮获取中文摘要

Elucidation of the reaction kinetics of the combustion of existing fuels, which consist of many kinds of compounds, and new generation biofuels, which contains different kinds of compounds, is an inevitable base technology for the reduction of the emissions of carbon dioxide and pollutants from automobile engines. The purpose of this study is to establish the key technology to construct and automatically generate the kinetic models for the comprehensive modeling of the combustion of various compounds by the quantum chemical investigation of the elementary processes and experimental validation of the kinetic models.The kinetic models have been constructed for the most typical constituent of existing fuel, alkanes, and further extended to the alkenes, alcohols, and ethers. Further, the kinetic mechanisms have been improved for the aromatic hydrocarbons with basic structures.