文献类型：期刊文献

中文题名：Computer-aided ionic liquid design for alkane/cycloalkane extractive distillation process

英文题名：Computer-aided ionic liquid design for alkane/cycloalkane extractive distillation process

作者：Zhen Song[1,2];Xinxin Li[1];He Chao[1];Fan Mo[1];Teng Zhou[2];Hongye Cheng[1];Lifang Chen[1];Zhiwen Qi[1]

机构：[1]State Key Laboratory of Chemical Engineering, School of Chemical Engineering, East China University of Science and Technology;[2]Process Systems Engineering, Max Planck Institute for Dynamics of Complex Technical Systems

年份：2019

卷号：4

期号：2

起止页码：154

中文期刊名：Green Energy & Environment

外文期刊名：绿色能源与环境（英文版）

收录：CSTPCD;;Scopus;CSCD:【CSCD2019_2020】；

基金：financial support from National Natural Science Foundation of China(21776074,21576081,and21861132019)

语种：英文

中文关键词：CAILD;Alkane/cycloalkane;extractive;distillation;UNIFAC-IL;MINLP;Process;performance;and;economics

外文关键词：CAILD;Alkane/cycloalkane extractive distillation;UNIFAC-IL;MINLP;Process performance and economics

摘要：A computer-aided ionic liquid design(CAILD) study is presented for the frequently encountered alkane/cycloalkane separations in petrochemical industry. Exhaustive experimental data are first collected to extend the UNIFAC-IL model for this system, where the proximity effect in alkanes and cycloalkanes is considered specifically by defining distinct groups. The thermodynamic performances of a large number of ILs for 4 different alkane/cycloalkane systems are then compared to select a representative example of such separations. By applying n-heptane/methylcyclohexane extractive distillation as a case study, the CAILD task is cast as a mixed-integer nonlinear programming(MINLP) problem based on the obtained task-specific UNIFAC-IL model and two semi-empirical models for IL physical properties. The top 5 IL candidates determined by solving the MINLP problem are subsequently introduced into Aspen Plus for process simulation and economic analysis, which finally identify 1-hexadecyl-methylpiperidinium tricyanomethane([C_(16)MPip][C(CN)_3]) as the best entrainer for this separation.
A computer-aided ionic liquid design(CAILD) study is presented for the frequently encountered alkane/cycloalkane separations in petrochemical industry. Exhaustive experimental data are first collected to extend the UNIFAC-IL model for this system, where the proximity effect in alkanes and cycloalkanes is considered specifically by defining distinct groups. The thermodynamic performances of a large number of ILs for 4 different alkane/cycloalkane systems are then compared to select a representative example of such separations. By applying n-heptane/methylcyclohexane extractive distillation as a case study, the CAILD task is cast as a mixed-integer nonlinear programming(MINLP) problem based on the obtained task-specific UNIFAC-IL model and two semi-empirical models for IL physical properties. The top 5 IL candidates determined by solving the MINLP problem are subsequently introduced into Aspen Plus for process simulation and economic analysis, which finally identify 1-hexadecyl-methylpiperidinium tricyanomethane([C_(16)MPip][C(CN)_3]) as the best entrainer for this separation.