高分子混合体系液液平衡预测软件的编制  

Development of the software of predicting the liquid-liquid phase equilibrium of polymer hybrid system

作　　者：程峰[1] 桂宗彦[2] 高元峰[1] 戎宗明[1] 程树军[2] 

机构地区：[1]华东理工大学化学与分子工程学院化学系424信箱 [2]华东理工大学材料科学与工程学院,上海200237

出　　处：《计算机与应用化学》2010年第9期1191-1196,共6页Computers and Applied Chemistry

基　　金：国家863计划(2007AA02Z450)

摘　　要：采用Delphi 7.0编程语言开发了以改进的Flory-Huggins理论模型计算高分子混合体系液液平衡的应用软件。该软件可以对多元高分子共混体系的双节线、旋节线和临界点进行计算,计算结果能以图形显示并以多种格式输出,具有界面友好,操作方便等优点。通过二元及三元高分子混合体系的液液平衡计算检验,证明了软件的算法和计算结果是正确的。同时,软件提供的几种Flory-Huggins相互作用参数x的计算方法,可适用于多种混合体系的液液平衡预测,在科学研究与工业应用上具有一定的实用价值。It is developed a software to calculate the liquid-liquid equilibrium of polymer hybrid system in improved Flory-Huggins model by the programming language Delphi 7.0. Binodal curve, spinodal curve and critical point of polymer hybrid system can be calculated by this software. And the result can be displayed by graph and exported by some formats. This software has fi＇iendly interface and convenient operation. It is proved that the algorithm is true by examing the calculating value of the liquid equilibrium of binary and temaW polymer hybrid system. Additionally, the software provides some calculation methods of Flory-Huggins interactional parameters Z to predicting the liquid-liquid equilibrium of some polymer hybrid system. Above all, this software has practical value in research and industrial applications.

关 键 词：高分子混合物 双节线 旋节线 预测 DELPHI 

分 类 号：O642.1[理学—物理化学] TP311.5[理学—化学]