摘要
在制备乙酸正丁酯(BAC)的过程中,不可避免地会形成BAC和正丁醇(BUOH)的共沸混合物,通过常规蒸馏难以实现二者的分离。采用COSMOthermX 19.0软件,以选择性为主要指标,考虑离子液体(ILs)的物化性质,筛选出三乙基丁基膦醋酸盐([P_(2444)][AC])和四丁基膦醋酸盐([P_(4444)][AC])作为分离BAC和BUOH的萃取剂。在101.3 kPa下,测量了二元(BAC-BUOH)和三元(BAC-BUOH-ILs)体系的汽液平衡(VLE)数据,并使用NRTL模型对VLE数据进行关联。模拟结果表明,这两种ILs均能增加BAC对BUOH的相对挥发度,且随着ILs含量的增加,分离效果更加显著;两种ILs的分离性能大小顺序为[P_(2444)][AC]>[P_(4444)][AC]。超额焓分析结果表明,两种ILs与BUOH之间具有较强的相互作用,且以氢键为主,可提高BAC对BUOH的相对挥发度。
In the process of preparing n-butyl acetate(BAC),an azeotropic mixture of BAC and n-butanol(BUOH)will be formed inevitably,which is difficult to separate both by conventional distillation.By employing selectivity as the main indicator and considering the physiochemical properties of ionic liquids(ILs),triethyl-butyl-phosphonium acetate([P_(2444)][AC])and tetrabutyl phosphonium acetate([P_(4444)][AC])were selected as extractants for the separation of BAC and BUOH via the adoption of COSMOthermX 19.0 software.The vapor-liquid equilibrium(VLE)data of the binary system(BAC-BUOH)and the ternary system(BAC-BUOH-ILs)were measured at 101.3 kPa,with the NRTL model employed to correlate with the VLE data.The simulation results indicate that the two ILs can increase the relative volatility of BAC to BUOH,and the separation effect is more obvious with the increasing ILs content.The separation performance is[P_(2444)][AC]>[P_(4444)][AC].The excess enthalpy analysis shows that the two ILs have stronger interaction with BUOH,and hydrogen bonding dominates,thus improving the relative volatility of BAC to BUOH.
作者
王超
张亲亲
辛华
刘嘉欣
王文俊
张志刚
WANG Chao;ZHANG Qinqin;XIN Hua;LIU Jiaxin;WANG Wenjun;ZHANG Zhigang(Liaoning Provincial Key Laboratory of Chemical Separation Technology,College of Chemical Engineering,Shenyang University of Chemical Technology,Shenyang 110142,China;Liaoning Provincial Institute of Product Quality Supervision and Inspection,Liaoning Inspection,Examination&Certification Centre,Shenyang 110142,China)
出处
《石油化工》
北大核心
2025年第9期1263-1271,共9页
Petrochemical Technology
基金
国家自然科学基金项目(21978173,22108174)
沈阳化工大学优秀青年基金项目(2019YQ002)。
关键词
乙酸正丁酯
正丁醇
离子液体
汽液平衡
n-butyl acetate
n-butanol
ionic liquids
vapor-liquid equilibrium
作者简介
王超(1999-),男,辽宁省大连市人,硕士生,电话:15142419076,电邮:1439481018@qq.com;联系人:张亲亲,电话:18202402025,电邮:zhangshoudao@126.com。
