| 方阱流体的配位数模型 |
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| 引用本文： | 王利生.方阱流体的配位数模型[J].原子与分子物理学报,1998,15(2):245-252. |
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| 作者姓名： | 王利生 |
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| 作者单位： | 北京理工大学化工与材料学院 |
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| 摘 要： | 基于格子气体理论，提出了方阱流体及其混合物的新配位数模型和构型能表达式。新模型与Ｌｅｅ等人的ＭｏｎｔｅＣａｒｌｏ计算机模拟结果进行了比较，取得了较好的计算结果。将新模型应用于分子尺寸不同的混合物时，计算结果尤为满意。
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| 关 键 词： | 配位数 构型能 方阱流体 计算模型 |
COORDINATION NUMBER MODEL OF SQUARE-WELL FLUIDS |
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| Wang Lisheng,Beijing Institute of Technology.COORDINATION NUMBER MODEL OF SQUARE-WELL FLUIDS[J].Journal of Atomic and Molecular Physics,1998,15(2):245-252. |
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| Authors: | Wang Lisheng Beijing Institute of Technology |
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| Institution: | Wang Lisheng Beijing Institute of Technology 100081 |
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| Abstract: | Based on the lattice gas theory, a new coordination number model and an expression of configuration energy for mixture consisting of square-well molecules are developed. The calculation results based on the new models agree well with the Monte Carlo computer simulation data of Lee et al. Better results are obtained by applying the new model to the mixtures consisting molecules with different sizes. |
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| Keywords: | Coordination number Configuration energy Square-well fluid Calculation model |
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