含三环醚系物质UNIFAC基团新交互作用参数的拟合  

REGRESSION OF UNIFAC GROUP NEW INTERACTION PARAMETEKS FoR TRICYCLIC ETHER SYSTEM

作　　者：范韵颖 郑英峨[1] 赵维彭[1] 

机构地区：[1]南京化工学院化学工程系

出　　处：《南京化工学院学报》1995年第3期62-65,共4页

基　　金：中国石化总公司资助

摘　　要：研究了ＵＮＩＦＡＣ基团贡献法中三环醚分子基团的划分法，用文献实测汽液平衡（ＶＬＥ）数据拟合出６对三环醚基的新交互作用参数，用本文提出的基团划分法和交互作用参数，成功地预测了９对含三环醚物质的ＶＬＥ数据。篢he group division principle of tricyclic ether for calculating Vapor Liq uid Equilibrium（VLE）data by UNIFAC group contribution methOd was propcoed．Six pairs of new interaction pa-rameters about group CH_2O in tricyclic ether system were correlated．The reason for the appearanceof new parameters was analyzed. VLE data of system including tricyclic ether can be successfully predicted using new group divi-sion principle and interaction parameters established in the present paper.

关 键 词：基团贡献 三环醚 基团交互作用 参数 

分 类 号：O623.423[理学—有机化学] TQ223.24[理学—化学]