COMPUTER-AIDED METHOD FOR INTERACTION PARAMETER CALCULATIONS

被引：0

作者：

MENIAI, AH ^{[1
]}

NEWSHAM, DMT ^{[1
]}

机构：

[1] UNIV MANCHESTER,INST SCI & TECHNOL,DEPT CHEM ENGN,MANCHESTER M60 1QD,LANCS,ENGLAND

来源：

CHEMICAL ENGINEERING RESEARCH & DESIGN | 1995年 / 73卷 / A7期

关键词：

INTERACTION PARAMETERS; MOLECULAR GRAPHICS; ACTIVITY COEFFICIENTS;

D O I：

暂无

中图分类号：

TQ [化学工业];

学科分类号：

0817 ;

摘要：

Interaction parameters have been computed using the molecular graphics system (MGS) described in a previous paper(1). A fast but crude method has been proposed and its reliability assessed through an industrial example like the phenol-water separation and through activity coefficient computations for simple binary systems and comparisons of the results with those already available from the UNIFAC model. The method should be regarded as a preliminary stage of a future technique when more refinements will be brought.

引用

页码：842 / 848

页数：7

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