文献类型：期刊文献

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

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

机构：[1]East China Univ Sci & Technol, Sch Chem Engn, State Key Lab Chem Engn, 130 Meilong Rd, Shanghai 200237, Peoples R China;[2]Max Planck Inst Dynam Complex Tech Syst, Proc Syst Engn, Sandtorstr 1, D-39106 Magdeburg, Germany

年份：2019

卷号：4

期号：2

起止页码：154

外文期刊名：GREEN ENERGY & ENVIRONMENT

收录：;EI(收录号：20210709907579);WOS:【SCI-EXPANDED(收录号:WOS:000493350600009)】；

基金：The financial support from National Natural Science Foundation of China (21776074, 21576081, and 21861132019) is greatly acknowledged.

语种：英文

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. (C) 2019, Institute of Process Engineering, Chinese Academy of Sciences. Publishing services by Elsevier B.V.