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Simulations of a confined polymer fluid at constant chemical potential

 

作者: Bo Svensson,   C.E. Woodward,  

 

期刊: Molecular Physics  (Taylor Available online 1996)
卷期: Volume 87, issue 6  

页码: 1363-1373

 

ISSN:0026-8976

 

年代: 1996

 

DOI:10.1080/00268979600100921

 

出版商: Taylor & Francis Group

 

数据来源: Taylor

 

摘要:

Monte Carlo simulations are reported of a polymer fluid confined between planar walls using the isotension ensemble, which allows one to perform simulations at constant chemical potential without the necessity of particle exchanges with a bulk polymer fluid. The pressure acting upon the walls and the free energy per unit area of the confined fluid as a function of separation between the walls are obtained, all at constant chemical potential. This is made possible by the use of the so-called free energy difference method. This method appears to be less susceptible to the difficulties that confront the simulation of confined fluids at high density in grand canonical ensemble simulations.

 

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