| Ising格子的分子热力学模型 |
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| 引用本文： | 严琪良,陈萍.Ising格子的分子热力学模型[J].华东理工大学学报(自然科学版),1996,22(5):608-612. |
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| 作者姓名： | 严琪良 陈萍 |
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| 作者单位： | 华东理工大学化学系 |
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| 摘 要： | 从统计力学出发，结合Ｍｏｎｔｅ Ｃａｒｌｏ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。
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| 关 键 词： | Ising模型 格子理论 分子热力学模型 |
Molecular Thermodynamic Model for Ising Lattice |
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| Yan Qiliang,Chen Ping, Liu Honglai and Hu Ying.Molecular Thermodynamic Model for Ising Lattice[J].Journal of East China University of Science and Technology,1996,22(5):608-612. |
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| Authors: | Yan Qiliang Chen Ping Liu Honglai and Hu Ying |
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| Abstract: | 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. |
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| Keywords: | Ising model lattice theory liquid-liquid equilibrium binary mixture MonteCarlo simulations mixing Helmholtz function |
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