Chemical potential
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]
- Constant chemical potential molecular dynamics (CμMD)
- Ideal gas: Chemical potential
- Overlapping distribution method
- Widom test-particle method
References[edit]
Related reading
- G. Cook and R. H. Dickerson "Understanding the chemical potential", American Journal of Physics 63 pp. 737-742 (1995)
- T. A. Kaplan "The Chemical Potential", Journal of Statistical Physics 122 pp. 1237-1260 (2006)
- Federico G. Pazzona, Pierfranco Demontis, and Giuseppe B. Suffritti "Chemical potential evaluation in NVT lattice-gas simulations", Journal of Chemical Physics 137 154106 (2012)
- 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)
- Claudio Perego, Omar Valsson, and Michele Parrinello "Chemical potential calculations in non-homogeneous liquids", Journal of Chemical Physics 149, 072305 (2018)