正丙醇/水+乙腈汽液相平衡的测定、关联及预测  

Measurement,correlation and prediction of binary vapor-liquid equilibrium of n-propanol + acetonitrile and water + acetonitrile under atmospheric pressure

作　　者：朱炜[1] 侯海云[1] 刘敏 后建业 刘斌[1] 李庆[1] 樊增禄[3] ZHU Wei;HOU Hai-yun;LIU Min;HOU Jian-ye;LIU Bin;LI Qin;FAN Zeng-lu(School of Environmental and Chemical Engineering,Xi＇an Polytechnic University,Xi＇an 710048,Shaanxi Province,China;Changqing Oilfield Branch Second Oil Production Plant,Changqing 745100,Gansu Province,China;School of Textiles and Materials,Xi＇an Polytechnic University,Xi＇an 710048,Shaanxi Province,China)

机构地区：[1]西安工程大学环境与化学工程学院,陕西西安710048 [2]长庆油田分公司第二采油厂,甘肃长庆745100 [3]西安工程大学纺织与材料学院,陕西西安710048

出　　处：《化学工程》2018年第5期38-41,68,共5页Chemical Engineering(China)

基　　金：国家自然科学青年科学基金资助项目(2160030548);陕西省教育厅科学研究项目(17JK0348);陕西科技厅国际科技合作与交流计划项目(2017KW-026);西安工程大学创新创业训练计划项目(2017086)

摘　　要：为了对乙腈基共溶剂进行萃取精馏分离就必须先准确获得相应的二元汽液相平衡数据。设计适合于此类物系分离的萃取精馏就必须获得准确的二元汽液相平衡数据。文章在常压下用改进的Othmer釜测定了正丙醇+乙腈和水+乙腈2个物系的二元汽液平衡数据,分别用面积和点对点法对实验数据进行了热力学一致性检验,并用Margules,Van Laar,Wilson,NRTL,UNIQUAC方程对实验数据进行了关联。最后使用基于基团贡献法的UNIFAC和基于量子力学和统计热力学的COSMO-RS和COSMO-SAC对2种物系的相平衡进行了预测,所得结果即可应用于精馏过程的设计,也可作为Aspen Plus,PROⅡ等软件的输入参数。In order to design the suitable extractive distillation for the separation of acetonitrile-based cosolvents, accurate binary vapor-liquid equilibrium data must be obtained. The binary vapor-liquid equilibrium data of n- propanol ＋ acetonitrile and water ＋ acetonitrile were determined by modified Othmer still at atmospheric pressure. The experimental data were COlTelated by Margules, Van Laar, Wilson, NRTL and UNIQUAC models. Moreover, the thermodynamic consistency test of the experimental data were carried out by area and point-to-point method respectively. Finally, the vapor-liquid equilibrium of the two systems was predicted using UNIFAC based on the group contribution method and COSMO-RS and COSMO-SAC based on quantum mechanics and statistical thermodynamics. The results obtained in this paper not only can be applied to design distillation process, but also can be input parameters for Aspen Plus, PRO II.

关 键 词：正丙醇 水 乙腈 汽液相平衡 

分 类 号：TQ013.1[化学工程]