文献类型：期刊文献

中文题名：低分子量聚己二酸乙二醇酯制备过程中的酯化反应动力学

英文题名：Reaction Kinetics of Esterification Process of Low Molecular Weight Poly(ethylene adipate)

作者：陈礼科[1];奚桢浩[1];孙文君[1];赵玲[1];袁渭康[1]

机构：[1]华东理工大学化学工程联合国家重点实验室,上海200237

年份：2013

卷号：29

期号：6

起止页码：519

中文期刊名：化学反应工程与工艺

外文期刊名：Chemical Reaction Engineering and Technology

收录：CSTPCD;;Scopus;北大核心:【北大核心2011】；CSCD:【CSCD2013_2014】；

基金：自然科学基金项目(21176070)

语种：中文

中文关键词：聚己二酸乙二醇酯;酯化;动力学;催化机理

外文关键词：poly （ethylene adipate）; esterification; kinetics; catalytic mechanism

摘要：以己二酸（AA）和乙二醇（EG）为原料，经酯化和缩聚合成数均分子量为1000-4000的聚己二酸乙二醇酯（PEA）。采用间歇实验研究了在160-230℃和无外加催化剂条件下AA和EG直接酯化过程的反应动力学，综合考虑了酯化、缩聚正反应及它们各自的逆反应．水解和醇解反应，并根据酯化反应不同的催化机理，分别建立了2级、变级数和3级反应动力学模型。利用遗传算法估算得到各反应动力学模型的参数，模型计算值与实验值平均相对偏差小于8％。通过模型辨识，发现以羧基自催化酯化反应机理的3级反应动力学模型能相对较好地拟合动力学实验数据。
Poly（ethylene adipate） （PEA） with number average molecular weight of 1 000-4 000 was synthesized from ethylene glycol（EG） and adipic acid （AA） by esterification and polycondensation. The kinetics of the direct esterification of AA and EG were studied by batch experiments at 160-230℃ in the absence of catalyst. The second-order, shift-order and third-order reaction kinetic models were developed on the basis of different catalytic mechanisms of esterification reaction, the kinetic parameters were estimated by genetic algorithms, and the average relative error between experimental data and calculatied results was less than 8%. The model identification results showed that the third-order kinetic model with self-catalyzed by carboxyl could fit the experimental data well.