文献类型：期刊文献

中文题名：萃取精馏过程溶剂筛选的分子设计方法研究

英文题名：Research on Molecular Design Method of Solvent Screening for Extraction Distillation Processes

作者：王巧焕[1];李玉安[1];史贤林[1];雷树宽[1]

机构：[1]华东理工大学化工学院,上海200237

年份：2011

卷号：37

期号：4

起止页码：39

中文期刊名：安徽化工

外文期刊名：Anhui Chemical Industry

语种：中文

中文关键词：萃取精馏;溶剂;计算机辅助分子设计;官能团预选

外文关键词：extractive distillation; dolvent; CAMD; group preselection

摘要：提出了一种新的萃取精馏溶剂的分子设计方法。首先考查萃取剂基团在待分离体系中的选择性,对官能团做一个较全面的筛选;然后利用正规溶液理论,得到适合于分离物系的溶剂的溶解度参数范围;最后以碳酸二甲酯-甲醇共沸物为例,运用该理论选出适宜的萃取剂,并用Aspen Plus软件进一步验证该方法的准确性。该方法提高了萃取剂选择的效率和准确性,为工业生产提供了理论基础。
A new method of molecular design was proposed.It included two parts.One was to preselect the candidate groups was preselected by investigating their selectivity for the separation system,all groups were preselected comprehensively;the other was to get the range of solvents＇ solubility parameter by the theory of Scatchard-Hildebrand.Take dimethyl carbonate-methanol for example,choose the suitable solvents using selectivity and solubility parameters,then verify the accuracy of the method through Aspen Plus.The method could improve the efficiency and reliability for the selection of extraction solvents,and guide for industrial applications.