节点文献
三元链状分子系统液液平衡的计算机模拟
COMPUTER SIMULATION OF LIQUID-LIQUID EQUILIBRIA FOR TERNARY CHAIN MOLECULES
【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(r1=1,r2=4,r3=8,ε12=0.333,ε13= 0.556,ε23=00),(r1=1,r2=4,r3=l6,ε12=0.25,εl3=0.50,ε23=-0.10)and(r1=1,r2=4,r3=32,εl2=0.25,ε13=0.50,ε23=-0.10),respectively,are obtained.Comparisons between the simulation results and those calcu1ated by Flory-Huggins theory,Freed theory and Hu et el’s 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 al’s model gives much better results.
【关键词】 计算机模拟;
液液平衡;
格子模型;
三元系;
【Key words】 computer; simulation; liquid-liquid equilibria; lattice model; ternary system;
【Key words】 computer; simulation; liquid-liquid equilibria; lattice model; ternary system;
【基金】 国家自然科学基金
- 【文献出处】 化工学报 ,Journal of Chemical Industry and Engineering(China) , 编辑部邮箱 ,1996年05期
- 【分类号】O642
- 【被引频次】5
- 【下载频次】55