A NEW SIMULATION APPROACH TO THE ENTROPY-RELATED PROPERTIES OF FLUIDS——CHEMICAL POTENTIAL AND HELMHOLTZ FREE ENERGY OF HARD SPHERE FLUIDS

CIESC Journal

• Volume 3 • 下一篇

A NEW SIMULATION APPROACH TO THE ENTROPY-RELATED PROPERTIES OF FLUIDS——CHEMICAL POTENTIAL AND HELMHOLTZ FREE ENERGY OF HARD SPHERE FLUIDS

吴雄武; 时钧; 汪文川

¹ Department of Chemical Engineering, Nanjing Institute of Chemical Technology, Nanjing 210009, China
² Department of Chemical Engineering, Beijing University of Chemical Technology, Beijing 100029

收稿日期:1992-12-10 修回日期:1994-02-17 出版日期:1995-06-28 发布日期:1995-06-28
通讯作者: 吴雄武

A NEW SIMULATION APPROACH TO THE ENTROPY-RELATED PROPERTIES OF FLUIDS——CHEMICAL POTENTIAL AND HELMHOLTZ FREE ENERGY OF HARD SPHERE FLUIDS

WU Xiongwu; SHI Jun; WANG Wenchuan

¹ Department of Chemical Engineering, Nanjing Institute of Chemical Technology, Nanjing 210009, China
² Department of Chemical Engineering, Beijing University of Chemical Technology, Beijing 100029

Received:1992-12-10 Revised:1994-02-17 Online:1995-06-28 Published:1995-06-28
Contact: WU Xiongwu

摘要/Abstract

摘要： A new approach to the computation of entropy-related properties of fluids has been pre-sented.Application of the new technique to hard sphere fluids shows that it is capable of providingreliable estimates of such properties as the chemical potential and Helmholtz free energy,even athigh density where other existing methods are hardly applicable.The chemical potential of an infinitedilute component in hard sphere systems has been estimated,and compared with that calculated fromthe Carnahan-Starling equation.

关键词: hard sphere fluids;chemical potential;Monte Carlo simulation

Abstract: A new approach to the computation of entropy-related properties of fluids has been pre-sented.Application of the new technique to hard sphere fluids shows that it is capable of providingreliable estimates of such properties as the chemical potential and Helmholtz free energy,even athigh density where other existing methods are hardly applicable.The chemical potential of an infinitedilute component in hard sphere systems has been estimated,and compared with that calculated fromthe Carnahan-Starling equation.

Key words: hard sphere fluids, chemical potential, Monte Carlo simulation

吴雄武, 时钧, 汪文川. A NEW SIMULATION APPROACH TO THE ENTROPY-RELATED PROPERTIES OF FLUIDS——CHEMICAL POTENTIAL AND HELMHOLTZ FREE ENERGY OF HARD SPHERE FLUIDS[J]. CIESC Journal.

WU Xiongwu, SHI Jun, WANG Wenchuan. A NEW SIMULATION APPROACH TO THE ENTROPY-RELATED PROPERTIES OF FLUIDS——CHEMICAL POTENTIAL AND HELMHOLTZ FREE ENERGY OF HARD SPHERE FLUIDS[J]. .

A NEW SIMULATION APPROACH TO THE ENTROPY-RELATED PROPERTIES OF FLUIDS——CHEMICAL POTENTIAL AND HELMHOLTZ FREE ENERGY OF HARD SPHERE FLUIDS

A NEW SIMULATION APPROACH TO THE ENTROPY-RELATED PROPERTIES OF FLUIDS——CHEMICAL POTENTIAL AND HELMHOLTZ FREE ENERGY OF HARD SPHERE FLUIDS

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