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基于碘值、环氧值和过氧化氢浓度实验数据建立了大豆油环氧化过程的双相动力学模型。反应网络包括甲酸与过氧化氢生成过氧甲酸、过氧化氢直接分解和环氧化物的水解3个副反应以及过氧甲酸与双键的环氧化主反应。借助各物种在油水两相的分配系数确定了相关组分在两相中的浓度。建模过程中,假设过氧甲酸的生成为速率控制步骤,确定了每个反应的动力学参数。模拟预测结果与实验数据吻合较好,说明本文建立的数学模型可用于大豆油环氧化结果的预测,可为设计工业反应器提供指导。
Based on the experimental data of iodine value, epoxy value and hydrogen peroxide concentration, a biphasic kinetic model for the epoxidation of soybean oil was established. The reaction network includes the formation of peroxy formic acid by formic acid and hydrogen peroxide, the direct decomposition of hydrogen peroxide and the hydrolysis of epoxides, and the epoxidation of peroxy formic acid with double bonds. Based on the distribution coefficients of each species in oil-water two phases, the concentrations of related components in two phases were determined. In the modeling process, the generation of peroxycarboxylic acid is assumed to be a rate-controlling step, determining the kinetic parameters for each reaction. The simulation results are in good agreement with the experimental data, indicating that the mathematical model established in this paper can be used to predict the epoxidation results of soybean oil and provide guidance for the design of industrial reactors.