A method for the direct calculation of chemical potentials for dense chain systems
- 20 August 1990
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 70 (6) , 1145-1158
- https://doi.org/10.1080/00268979000101591
Abstract
The aim of this paper is to propose a new way to calculate the chemical potential for dense systems containing flexible chain molecules by a Widomtype insertion technique. The method makes use of the self-avoiding randomwalk algorithm of Rosenbluth and Rosenbluth. We report some results for the calculation of the chemical potential for a simple monolayer system, originally simulated by Whittington and Chapman. To our knowledge, the chemical potential of a chain system has never been calculated before using a direct approach.Keywords
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