甲醇-二硫化碳-环己烷三元系热力学相图计算

Thermodynamic Calculation of Ternary Phase Diagram in Methanol-CS2-cyclohexane System

有机材料在许多高新技术领域得到了应用与推广,利用有机体系液相分离过程制备具有特定相形态组织结构的材料是其发展的一个新方向。因此,从理论上理解有机体系相分离过程对有机新材料的研究与开发具有重要的理论与实际意义。以甲醇-二硫化碳-环己烷三元体系为研究对象,结合现有研究成果,利用自编的Matlab及Maple程序对其液-液相分离二元相平衡进行了研究,评估优化了其二元相互作用参数;并在此基础上,对其三元相图进行了计算,获得较合理的计算结果。该方法对多元有机体系计算相图的发展具有重要的研究意义。

Organic materials are now widely used in high-tech fields.Liquid spinodal decomposition is widely used in preparing organic materials with various morphological patterns.Therefore,a detailed understanding of liquid separation in organic systems is of both fundamental interest and practical importance.By taking methanol-CS2-cyclohexane system for example,based on the experimental data,binary interaction parameters are thermodynamically assessed by Matlab and Maple programs.Then,the ternary phase diagram is calculated.This method is useful for developing calculation multicomponent diagrams in organic systems.