合成丙二醇单甲醚丙酸酯的宏观反应动力学

以大孔强酸性离子交换树脂为催化剂，以丙二醇单甲醚和丙酸为原料反应合成丙二醇单甲醚丙酸酯，并建立了拟均相二级反应动力学模型. 由间歇釜式反应器测定了沸腾状况下的宏观动力学数据，采用Gear法解宏观动力学模型方程得到丙二醇单甲醚丙酸酯浓度与反应时间的关系，然后以丙二醇单甲醚丙酸酯浓度的计算值与实验值残差平方和为目标函数，用Levenberg-Marquardt算法进行非线性最小二乘拟合，得到正、逆反应的活化能分别为80.12和89.49 kJ/mol. 模型计算值与实验测定值拟合良好，残差分析表明动力学模型是合适的.

Macrokinetics of Catalytic Synthesis of Propylene Glycol Monomethyl Ether Propionate

Propylene glycol monomethyl ether propionate (PMP) was synthesized from propylene glycol monomethyl ether and propionic acid over macroporous strong acid ion exchange resin, and the pseudo-homogeneous second-order reaction kinetic model was developed. The kinetic data of this system were measured at boiling temperature of the reaction system in a batch reactor. The concentration of PMP as function of reaction time was established by solving macrokinetic model using Gear algorithm, then the squared sum of differences between calculated values and experimental data of concentration of PMP was minimized by nonlinear least square regression using Levenberg-Marquardt algorithm, and the activation energy was obtained, being 80.12 and 89.49 kJ/mol for the positive and reverse reactions, respectively. The data calculated from the model were in good agreement with experimental results, and the results of residual analysis showed that the model was reliable.