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Kinetics of p-toluene-sulfonic acid catalyzed direct esterification of pentaerythritol with acrylic acid for pentaerythritol diacrylate production
Chemical Engineering Communications ( IF 2.5 ) Pub Date : 2019-03-23 , DOI: 10.1080/00986445.2019.1592750
Li Sun 1 , Lin Zhu 1 , Weilan Xue 1 , Zuoxiang Zeng 1
Affiliation  

Abstract Pentaerythritol diacrylate (PEDA) is synthesized by p-toluene-sulfonic acid (p-TSA) catalyzed direct esterification of pentaerythritol (PER) with acrylic acid (AA). Based on the direct esterification reaction mechanism and the corresponding two simplified reaction steps, the kinetic model is derived. The kinetic parameters are determined by Global Optimization Method-Genetic Algorithm procedure with an error minimization algorithm. It is found that the model can fit the reaction data very well. Furthermore, the effects of operating conditions such as reaction temperature and catalyst concentration are also investigated. The results show that the reaction rate constants increase with the temperature in the range of 373–403 K, and they increase with the catalyst concentration up to 1.12 wt% and then change slightly. The activation energy of mono-esterification is 34.57 kJ·mol−1, which is higher than di-esterification (23.23 kJ·mol−1), indicating that mono-esterification step is more sensitive to the temperature variation.

中文翻译:

对甲苯磺酸催化季戊四醇与丙烯酸直接酯化生产季戊四醇二丙烯酸酯的动力学

摘要 季戊四醇二丙烯酸酯 (PEDA) 是通过对甲苯磺酸 (p-TSA) 催化季戊四醇 (PER) 与丙烯酸 (AA) 直接酯化合成的。基于直接酯化反应机理和相应的两个简化反应步骤,推导出了动力学模型。动力学参数由具有误差最小化算法的全局优化方法-遗传算法程序确定。发现该模型可以很好地拟合反应数据。此外,还研究了反应温度和催化剂浓度等操作条件的影响。结果表明,反应速率常数在 373-403 K 范围内随着温度的升高而增加,随着催化剂浓度增加到 1.12 wt%,它们会增加,然后略有变化。
更新日期:2019-03-23
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