基于离子液体的己酸酯化反应萃取过程研究

发布时间：2018-07-27 10:03

【摘要】：浓硫酸等强酸催化的酯化反应是工业制备碳十以上脂肪酯的普遍方法。但该方法污染大、后续分离纯化成本较高,急需工艺优化。离子液体是一种新型催化剂和绿色溶剂,其在酯化反应中的应用近年来也颇受关注。本文旨在探究普适性较强的催化酯化反应萃取过程,并以催化和萃取效果俱佳的[C_4mim][HSO_4]离子液体为研究对象,着重考察己酸与正丁醇和己酸与异戊醇两个酯化反应体系。首先,通过COSMO-RS模拟预测酯化反应物和产物与离子液体[C_4mim][HSO_4]之间的溶解度,并进一步实验测定[C_4mim][HSO_4]-正丁醇-己酸丁酯、[C_4mim][HSO_4]-己酸-己酸丁酯、[C_4mim][HSO_4]-异戊醇-己酸异戊酯三个三元体系的液液相平衡数据,同时基于实验数据拟合获得NRTL方程的二元交互参数。实验数据证实[C_4mim][HSO_4]具有作为酯化反应萃取过程中萃取剂的可行性;模拟与实验结果的比较也说明COSMO-RS分子指纹信息σ-profile及σ-potential在一定程度上可以定性预测有机物与离子液体之间的互溶度。其次,实验测定[C_4mim][HSO_4]用于己酸与正丁醇以及己酸与异戊醇酯化反应体系的反应萃取的实验效果,并分析比较反应结果。结果表明,对于不同反应体系,醇与离子液体之间的互溶性大小会影响反应萃取效果;采用优化后的反应条件能够取得较高的己酸转化率和酯选择性。与传统工业生产方法相比,本文所使用的反应萃取过程强化方法具有工艺简单、污染小和能耗低等优点,有很大的工业应用潜力。
[Abstract]:Esterification catalyzed by strong acid, such as concentrated sulfuric acid, is a common method for the preparation of fatty esters over ten of carbon in industry. However, this method is very polluted, the cost of subsequent purification is high and the process is urgently needed. Ionic liquid is a new type of catalyst and green solvent. Its application in esterification is also concerned in recent years. The purpose of this paper is to explore the universality. The extraction process of catalytic esterification is strong, and the [C_4mim][HSO_4] ionic liquid with good catalytic and extraction effect is studied. The two esterification systems of hexanic acid and n-butanol and hexanic acid and isoamyl alcohol are emphatically investigated. First, the dissolution of esterified reactant and the solution between the product and the ionic liquid [C_4mim][HSO_4] are predicted by COSMO-RS simulation. The liquid liquid phase equilibrium data of the three three elements of [C_4mim][HSO_4]- n-butyl alcohol - hexanoate, [C_4mim][HSO_4]- hexanoate butyl caproate, [C_4mim][HSO_4]- isoamyl hexanoate and isoamyl hexanoate were measured, and the two element interphase parameters of the NRTL equation were obtained based on the experimental data. The experimental data confirmed that [C_4mim][HSO_4] was used as an example. The feasibility of extractants in the extraction process for esterification; the comparison of simulation and experimental results also shows that the COSMO-RS -profile and sigma -potential can qualitatively predict the intersolubility between organic and ionic liquids. Secondly, the experimental determination of [C_4mim][HSO_4] for hexanic acid, n-butanol and hexanic acid is different. The experimental results of reaction extraction in the reaction system of the esterification of pentol were analyzed and compared with the results of the reaction. The results showed that the intersolubility between alcohol and ionic liquids could affect the effect of reaction extraction for different reaction systems; the optimum reaction conditions could obtain higher conversion rate of acid and selectivity of ester. Compared with the method, the reaction extraction process in this paper has the advantages of simple process, low pollution and low energy consumption, and has great potential for industrial application.
【学位授予单位】：华东理工大学
【学位级别】：硕士
【学位授予年份】：2017
【分类号】：O658.2

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