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Esterification of acetic acid with isobutanol catalyzed by ionic liquid n-sulfopropyl-3-methylpyridinium trifluoromethanesulfonate:Experimental and kinetic study
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作者 Meng Shi Kelei Huang +4 位作者 ruining he Yinghua Jiang Yun Zou Jing Xu Zhangfa Tong 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2023年第11期21-30,共10页
As an important organic,isobutyl acetate(IbAc)has been widely used in industries because of its good biodegradability,low surface tension,and other properties.The industrial production of IbAc is usually catalyzed by ... As an important organic,isobutyl acetate(IbAc)has been widely used in industries because of its good biodegradability,low surface tension,and other properties.The industrial production of IbAc is usually catalyzed by sulfuric acid.However,the use of sulfuric acid has the drawbacks of causing considerable corrosion to equipment and being difficult to be separated.In this work,n-sulfopropyl-3-methylpyridinium trifluoromethanesulfonate([HSO_(3)-PMPY][CF_(3)SO_(3)])Bronsted acidic ionic liquid(BAIL)was used as the catalyst and the catalytic activity,solubility,and corrosiveness were evaluated for the esterification of acetic acid with isobutanol.The reaction kinetics and chemical equilibrium were systemically studied.Compared to conventional acid catalysts,[HSO_(3)-PMPY][CF_(3)SO_(3)]showed higher catalytic activity,more excellent reusability,more favorable phase separation,and non-corrosiveness.Three kinetic equations based on ideal homogeneous(IH),non-ideal homogeneous(NIH),and modified nonideal homogeneous(NIH-M)models were established and correlated with the experimental data to determine the parameters and errors.The NIH-M model exhibited the best agreement with the experimental data,owing to its prediction considering the non-ideality and the self-catalysis effect of acetic acid in this system.Besides,the error of NIH-M model fitting was mainly caused by the difference in solubility between[HSO_(3)-PMPY][CF_(3)SO_(3)]with reactants and products in the reaction system.Furthermore,the applicability of the NIH-M model was investigated by simulating the esterification of acetic acid with three short-chain alcohols(ethanol,n-butanol,and isobutanol)catalyzed by BAILs.The NIH-M model displayed an acceptable simulation for this type of acetic acid esterification reaction catalyzed by BAILs at different ranges of the BAILs concentration and temperature.This study confirmed the industrial prospects of[HSO_(3)-PMPY][CF_(3)SO_(3)]in isobutyl acetate production and the applicability of the NIH-M kinetic model in the esterification of acetic acid. 展开更多
关键词 ESTERIFICATION Isobutyl acetate Ionic liquid Kinetics
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利用COSMO-RS模型筛选离子液体夹带剂用于水+乙酸体系的分离 被引量:1
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作者 李晴 石萌 +3 位作者 郭义敏 何瑞宁 邹昀 童张法 《过程工程学报》 CAS CSCD 北大核心 2023年第7期1063-1072,共10页
乙酸酯类产品工业生产中产生的含酸废水的高效分离是化工生产中的难题,传统分离乙酸与水的技术如萃取精馏、共沸精馏等在溶剂选择时效率低。类导体屏蔽-真实溶剂模型(Conductor-like Screening Model-Real Solvents,COSMO-RS)可以通过... 乙酸酯类产品工业生产中产生的含酸废水的高效分离是化工生产中的难题,传统分离乙酸与水的技术如萃取精馏、共沸精馏等在溶剂选择时效率低。类导体屏蔽-真实溶剂模型(Conductor-like Screening Model-Real Solvents,COSMO-RS)可以通过量化计算预测流体热力学性质,从大量溶剂中筛选出适用于某一体系的夹带剂,可减少实验量,提高研究效率。含氮类与含磷类的有机溶剂对水+乙酸体系的萃取效果较好,因此,本工作使用COSMO-RS模型从5种含磷阴离子和12种咪唑类阳离子组成的离子液体中筛选出适用于萃取精馏分离水+乙酸体系的夹带剂。优化了未收录于COSMO软件原始数据库的离子的几何结构,通过σ-Profile图、水在不同离子液体中的溶解度、不同离子液体中乙酸对水的选择性、离子液体与水或乙酸混合时的超额焓四个方面进行分析。结果表明,[MIM][DBP],[ODMIM][DEP]和[ODMIM][Me_(2)PO_(4)]的萃取效果较好。水或乙酸与离子液体混合时氢键作用占据绝对主导,咪唑类阳离子提供氢键的能力强,易与乙酸结合,提高水与乙酸的相对挥发度,达到分离的目的。对比超额焓数值,[ODMIM]+与乙酸之间的相互作用最强,最终确定[ODMIM][DEP]离子液体为分离水+乙酸体系首选的夹带剂。研究结果为萃取精馏实验验证及水+乙酸体系的工业化分离提供了基础数据。 展开更多
关键词 COSMO-RS模型 乙酸 离子液体 萃取精馏
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