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(...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．展开更多
文摘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．
