Ising格子的分子热力学模型  

Molecular Thermodynamic Model for Ising Lattice

作　　者：严琪良 陈萍[1] 刘洪来[1] 胡英[1] 

机构地区：[1]华东理工大学化学系

出　　处：《华东理工大学学报（自然科学版）》1996年第5期608-612,共5页Journal of East China University of Science and Technology

基　　金：国家自然科学基金

摘　　要：从统计力学出发，结合ＭｏｎｔｅＣａｒｌｏ分子模拟的结果，导出了Ｉｓｉｎｇ格子的混合亥氏函数模型。该模型能非常满意地预测Ｉｓｉｎｇ格子的液液共存线，其结果明显优于Ｆｌｏｒｙ－Ｈｕｇｇｉｎｓ理论，也优于Ｆｒｅｅｄ理论。A molecular thermodynamic model for Ising lattice was proposed based on the statistical mechanics and on the results from Monte Carlo simulation, which correctly takes the effects of temperature and composition on internal energy into account. The model gives a very satisfactory prediction of liquid-liquid co-existing curve of Ising lattice. Comparisons with the MC results show that the new model is much better than that of Flory-Huggins theory, and also better than Freed theory.

关 键 词：ISING模型 格子理论 分子热力学模型 

分 类 号：O642.4[理学—物理化学]