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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