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A stepwise simulation approach to the chemical potential of fluids
Author(s) -
Wu XiongWu,
Shi Jun,
Wang WenChuan
Publication year - 1994
Publication title -
chinese journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.28
H-Index - 41
eISSN - 1614-7065
pISSN - 1001-604X
DOI - 10.1002/cjoc.19940120202
Subject(s) - chemistry , computation , particle (ecology) , test particle , statistical physics , classical mechanics , algorithm , computer science , physics , oceanography , geology
A new approach to the computation of the chemical potential of fluids is presented. In this method the particle‐insertion operation in the conventional test particle method is replaced by the growth of a specific particle. Application of the new technique to hard sphere and Lennard‐Jones fluids shows that it is capable of providing reliable estimates of the chemical potential, even at high density where the conventional test particle methods are difficult to apply.