Abstract: The use of ionic liquid to catalyze the alkylation of isobutane and 2⁃butene has become a hot topic in recent years. The investigation on the formation mechanism of chlorinated hydrocarbons during the production process of alkylated oil catalyzed by ionic liquid is of great significance to improve the clean and environmental performance of gasoline. A set of independent reactions of chlorinated hydrocarbon formation system were determined by atomic coefficient matrix method. The Gibbs free energy change and equilibrium constant of each independent reaction in different reacting conditions were calculated by thermodynamics analysis method, which can be used to evaluate the occurrence possibility of the specified independent reaction in the given reacting conditions, and the results can be used to insight the formation mechanism of chlorinated hydrocarbons during the production process of alkylated oil catalyzed by ionic liquid.

Key words: Alkylated oil, Chlorinated hydrocarbons, Clean and environmental performance, Atomic coefficient matrix, Thermodynamic analysis

摘要： 利用离子液体催化异丁烷与2⁃丁烯生产烷基化油已成为近年的研究热点，烷基化油中氯代烃生成机理的研究对于提高汽油的清洁环保性能具有重要的指导意义。利用原子系数矩阵法确定了生成氯代烃反应体系的独立反应数及一组独立反应，利用热力学方法计算了该反应体系中各独立反应在不同条件下的吉布斯自由能变及平衡常数，据此可判断各独立反应在指定条件下发生的可能性，分析结果可为烷基化油中氯代烃的生成机理研究提供指导。

关键词: 烷基化油, 氯代烃, 清洁环保, 原子系数矩阵, 热力学分析