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Confined fluid and the fluid-solid transition: Evidence from absolute free energy calculations

✍ Scribed by Wan, Li; Iacovella, Christopher R.; Nguyen, Trung D.; Docherty, Hugh; Cummings, Peter T.

Book ID
118174614
Publisher
The American Physical Society
Year
2012
Tongue
English
Weight
557 KB
Volume
86
Category
Article
ISSN
1098-0121

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A method for calculating the entropy and the chemical potential of fluids and solids from the radial free-space distribution function (RFSDF) is proposed. The free volume is obtained from the RFSDF by eliminating the arbitrary definition ofa cell and the imposition of a cut-off distance that were us