| Monte Carlo Simulation for Surface Properties of Two-Yukawa Fluids |
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| 作者姓名： | 刘金晨 吴畏 陆九芳 李以圭 |
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| 作者单位： | LIU Jinchen，WU Wei LU Jiufang，LI Yigui Department of Chemical Engineering，Tsinghua University，Beijing 100084，China |
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| 基金项目： | Supported by the National Natural Science Foundationof China (Nos. 2 973 6170 and 2 0 10 60 0 7) ,theFundam ental Research Fund of Tsinghua U niversity(No. JC19990 3 8) and the Scientific ResearchFoundation for Returned Overseas Chinese Scholars |
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| 摘 要： | IntroductionThe surface properties of liquid are of interest fortheoretical research and industrial application.Thecomputer molecular simulation is an approach tostudy such properties.Itis known thatthe surfaceof liquid is a region between liquid phase and vaporphase with a thickness of several moleculardiameters,and there is a density gradient in thisregion.Such microscopic properties of surface aredifficult to study experimentally,and themolecular simulation makes this study possible.There …
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Monte Carlo Simulation for Surface Properties of Two-Yukawa Fluids |
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| LIU Jinchen,WU Wei LU Jiufang,LI Yigui.Monte Carlo Simulation for Surface Properties of Two-Yukawa Fluids[J].Tsinghua Science and Technology,2002,7(5). |
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| Authors: | LIU Jinchen WU Wei LU Jiufang LI Yigui |
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| Institution: | LIU Jinchen,WU Wei LU Jiufang,LI Yigui Department of Chemical Engineering,Tsinghua University,Beijing 100084,China |
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| Abstract: | The two-Yukawa (TY) potential is a newly developed potential function for fluids. The Monte Carlo method was used to simulate the potential energy, intermolecular forces, radial distribution function, density profile, surface thickness and surface tension for a TY fluid at different temperatures. The results for a TY fluid are compared to those for a Lennard-Jone fluid, which shows that the surface properties are more sensitive to the intermolecular potential than the bulk properties and the repulsive action with a shore range can also influence the surface properties. |
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| Keywords: | computer simulation Monte Carlo two-Yukawa fluid surface property |
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