文献类型：期刊文献

英文题名：Computer-aided molecular design of solvents for chemical separation processes

作者：Chai, Shiyang[1];Song, Zhen[2];Zhou, Teng[3,4];Zhang, Lei[1];Qi, Zhiwen[2]

机构：[1]Dalian Univ Technol, Sch Chem Engn, Inst Chem Proc Syst Engn, Dalian 116024, Peoples R China;[2]East China Univ Sci & Technol, Sch Chem Engn, 130 Meilong Rd, Shanghai 200237, Peoples R China;[3]Max Planck Inst Dynam Complex Tech Syst, Proc Syst Engn, Sandtorstr 1, D-39106 Magdeburg, Germany;[4]Otto von Guericke Univ, Proc Syst Engn, Univ Pl 2, D-39106 Magdeburg, Germany

年份：2022

卷号：35

外文期刊名：CURRENT OPINION IN CHEMICAL ENGINEERING

收录：;EI(收录号：20213710891191);WOS:【SCI-EXPANDED(收录号:WOS:000722460400003)】；

基金：The financial support from National Nature Science Foundation of China (22078041, 21808025, 21776074 and 21861132019) and `the Fundamental Research Funds for the Central Universities (DUT20JC41)' is acknowledged.

语种：英文

外文关键词：Distillation - Design - Optimization - Chemical industry - Gas absorption - Process design

摘要：Solvents are widely used in chemical industries, especially in various separation processes. As traditional trial-and-error solvent selection is time-consuming and expensive, model based methods for solvent selection/design become important for efficient and sustainable chemical manufacturing. A lot of contributions have been made in this area in the past few decades. This article first reviews the prediction methods for solvent properties, including single molecular properties and mixture properties. Then, the solution strategies of solvent design problems are summarized, including generate-and-test, deterministic optimization, and stochastic optimization methods. Next, latest progresses of computer-aided solvent process design in separation processes including liquid-liquid extraction, extractive distillation, gas absorption, and crystallization are reviewed. Finally, several remaining challenges and possible future directions for solvent design in separation processes are pointed out.