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Green synthesis of ester base oil with high viscosity — Part II: Reaction kinetics study
Chemical Engineering Research and Design ( IF 3.7 ) Pub Date : 2020-10-26 , DOI: 10.1016/j.cherd.2020.10.015
Shaojian Hu , Jianhua Zhu , Bencheng Wu , Rui Ma , Xiaohui Li

As an eco-friendly lubricant base oil, ester base oil is receiving increasing attention. However, studies on synthetic reaction kinetics of high viscosity complex ester have been rarely reported. In this work, based on the principle of equal reactivity of all functional groups and simplified kinetics models, synthetic reaction kinetics for high viscosity complex ester was investigated in two steps. As for the esterification of trimethylolpropane with glutaric acid, the activation energies of the first and second stage were 55.3 and 73.5 kJ/mol, respectively. As for the esterification of the first step products with 2-ethylhexanoic acid, the activation energies of the first and second stage were 60.6 and 98.2 kJ/mol, respectively. As for the esterification of the first step products with n-heptanoic acid, its activation energy was 68.9 kJ/mol. A mutation phenomenon on reaction order from zero to second order was discovered, which could be explained by the strong adsorption of organic acid on catalyst surface. The conversion rate of carboxyl of synthetic reaction for mixed acid ester was estimated by simulation, and average relative error was less than 3.0%. The synthetic process of high viscosity complex ester was considered to consist of a series of parallel–consecutive reactions with addition–elimination mechanism.



中文翻译:

高粘度酯基油的绿色合成-第二部分:反应动力学研究

作为一种环保型润滑剂基础油,酯类基础油受到越来越多的关注。但是,关于高粘度复合酯的合成反应动力学的研究很少报道。在这项工作中,基于所有官能团均具有相等反应性的原理和简化的动力学模型,分两步研究了高粘度复合酯的合成反应动力学。关于三羟甲基丙烷与戊二酸的酯化,第一阶段和第二阶段的活化能分别为55.3和73.5kJ / mol。至于第一步产物用2-乙基己酸的酯化作用,第一步和第二步的活化能分别为60.6和98.2kJ / mol。至于第一步产品与n的酯化-庚酸,其活化能为68.9 kJ / mol。发现了从零到二阶反应阶跃的突变现象,这可以用有机酸在催化剂表面的强烈吸附来解释。通过模拟估算了合成反应中混合酸酯的羧基转化率,平均相对误差小于3.0%。高粘度复合酯的合成过程被认为是由一系列具有加成-消除机理的平行连续反应组成的。

更新日期:2020-11-06
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