Chemical potential, Helmholtz free energy and entropy of argon with kinetic Monte Carlo simulation
We present a method based on kinetic Monte Carlo (kMC) to determine the chemical potential, Helmholtz free energy and entropy of a fluid within the course of a simulation. The procedure requires no recourse to auxiliary methods to determine the chemical potential, such as the implementation of a Wid...
| Main Authors: | , , , |
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| Format: | Journal Article |
| Published: |
Taylor & Francis
2014
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| Online Access: | http://hdl.handle.net/20.500.11937/55315 |