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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 90, 1997 - Issue 3
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Original Articles

A method for determination of chemical potential of associating fluids

Pages 483-488 | Published online: 03 Dec 2010
 

Abstract

This note proposes a hybrid computer simulation method for the determination of the chemical potential of associating fluids which combines the osmotic Monte Carlo (MC) experiment and the insertion of test particles. The osmotic MC experiment is similar to that of R. L. Rowley, M. W. Schuck, and J. C. Perry, 1995, Molec. Phys., 86, 125. The approach proposed is tested for the model of dimerizing hard spheres with spherically symmetric intracore square-well attractive interaction. It is shown that the simulation method is successful for the determination of the chemical potential of associating fluids.

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