Chemical potential: Difference between revisions

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*[http://dx.doi.org/10.1063/1.4758757  Federico G. Pazzona, Pierfranco Demontis, and Giuseppe B. Suffritti "Chemical potential evaluation in NVT lattice-gas simulations", Journal of Chemical Physics '''137''' 154106 (2012)]
*[http://dx.doi.org/10.1063/1.4758757  Federico G. Pazzona, Pierfranco Demontis, and Giuseppe B. Suffritti "Chemical potential evaluation in NVT lattice-gas simulations", Journal of Chemical Physics '''137''' 154106 (2012)]
*[http://dx.doi.org/10.1063/1.4991324 E. A. Ustinov "Efficient chemical potential evaluation with kinetic Monte Carlo method and non-uniform external potential: Lennard-Jones fluid, liquid, and solid", Journal of Chemical Physics '''147''' 014105 (2017)]
*[http://dx.doi.org/10.1063/1.4991324 E. A. Ustinov "Efficient chemical potential evaluation with kinetic Monte Carlo method and non-uniform external potential: Lennard-Jones fluid, liquid, and solid", Journal of Chemical Physics '''147''' 014105 (2017)]
*[https://doi.org/10.1063/1.5024631 Claudio Perego, Omar Valsson, and Michele Parrinello "Chemical potential calculations in non-homogeneous liquids", Journal of Chemical Physics 149, 072305 (2018)]




[[category:classical thermodynamics]]
[[category:classical thermodynamics]]
[[category:statistical mechanics]]
[[category:statistical mechanics]]

Latest revision as of 13:07, 12 September 2018

Classical thermodynamics[edit]

Definition:

where is the Gibbs energy function, leading to

where is the Helmholtz energy function, is the Boltzmann constant, is the pressure, is the temperature and is the volume.

Statistical mechanics[edit]

The chemical potential is the derivative of the Helmholtz energy function with respect to the number of particles

where is the partition function for a fluid of identical particles

and is the configurational integral

Kirkwood charging formula[edit]

The Kirkwood charging formula is given by [1]

where is the intermolecular pair potential and is the pair correlation function.

See also[edit]

References[edit]

Related reading