| GIBBS ENSEMBLE MONTE CARLO SIMULATION OF VAPORLIQUID EQUILIBRIA FOR SIMPLE FLUIDS |
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| 作者姓名： | 郭明学 汪文川 卢焕章 |
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| 作者单位： | Department of Chemical Engineeing. Beijing Institute of Chemical Technology，Department of Chemical Engineeing. Beijing Institute of Chemical Technology，Department of Chemical Engineeing. Beijing Institute of Chemical Technology Beijing 100029，Beijing 100029，Beijing 100029 |
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| 摘 要： | The Gibbs ensemble Monte Carlo simulation method has been investigated and used to calculate the vaporliquid equilibria of a real binary mixture, argon-methane. In this simulation, the micro-structural and macroscopic properties, including the distribution function, internal energy, densities and compositions of coexisting vapor and liquid phases as well as the enthalpy of vaporization are obtained. Compared with experimental data and calculated results from equations of state, our simulated phase equilibrium properties are of good accuracy, which demonstrates that this simulation methods is a powerful tool in research on phase equilibria of fluids.
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| 关 键 词： | Monte Carlo simulation Gibbs ensemble vapor-liquid equilibrium |
| 收稿时间： | 1991-11-11 |
| 修稿时间： | 1992-1-15
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GIBBS ENSEMBLE MONTE CARLO SIMULATION OF VAPORLIQUID EQUILIBRIA FOR SIMPLE FLUIDS |
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| GUO Mingxue,WANG Wenchuan,LU Huanzhang.GIBBS ENSEMBLE MONTE CARLO SIMULATION OF VAPORLIQUID EQUILIBRIA FOR SIMPLE FLUIDS[J].Chinese Journal of Chemical Engineering,1992,7(2):225-234. |
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| Authors: | GUO Mingxue WANG Wenchuan LU Huanzhang |
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| Affiliation: | Department of Chemical Engineeing, Beijing Institute of Chemical Technology, Beijing 100029 |
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| Abstract: | The Gibbs ensemble Monte Carlo simulation method has been investigated and used to calculate the vaporliquid equilibria of a real binary mixture, argon-methane. In this simulation, the micro-structural and macroscopic properties, including the distribution function, internal energy, densities and compositions of coexisting vapor and liquid phases as well as the enthalpy of vaporization are obtained. Compared with experimental data and calculated results from equations of state, our simulated phase equilibrium properties are of good accuracy, which demonstrates that this simulation methods is a powerful tool in research on phase equilibria of fluids. |
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| Keywords: | Monte Carlo simulation Gibbs ensemble vapor-liquid equilibrium |
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