]*>","")" /> 三元链状分子系统液液平衡的计算机模拟

CIESC Journal

• 化工学报 • 上一篇    下一篇

三元链状分子系统液液平衡的计算机模拟

姜建文,严琪良,刘洪来,胡英   

  1. 华东理工大学化学系!上海200237,华东理工大学化学系!上海200237,华东理工大学化学系!上海200237,华东理工大学化学系!上海200237
  • 出版日期:1996-10-25 发布日期:1996-10-25

COMPUTER SIMULATION OF LIQUID-LIQUID EQUILIBRIA FOR TERNARY CHAIN MOLECULES

Jiang Jianwen;Yan Qiliang;Liu Honglai;Hu Ying(Department of Chemistry,East China University of Science and Technology,Shanghai 200237)   

  • Online:1996-10-25 Published:1996-10-25

Abstract: By applying the configuration-bias vaporization method for the simulation of hquid-hquid equilibria based on lattice model,the liquid-liquid equilibria of three ternary systems with the specified molecular parameters(r_1=1,r_2=4,r_3=8,ε_(12)=0.333,ε_(13)= 0.556,ε_(23)=00),(r_1=1,r_2=4,r_3=l6,ε_(12)=0.25,ε_(l3)=0.50,ε_(23)=-0.10)and(r_1=1,r_2=4,r_3=32,ε_(l2)=0.25,ε_(13)=0.50,ε_(23)=-0.10),respectively,are obtained.Comparisons between the simulation results and those calcu1ated by Flory-Huggins theory,Freed theory and Hu et els model for the Polymer solution are made.It is shown that Flory-Huggins theory have large deviation from simulated results,while Freed theory and Hu et als model gives much better results.

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