Widom test-particle method

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The excess chemical potential is given by

Failed to parse (Conversion error. Server ("https://wikimedia.org/api/rest_") reported: "Cannot get mml. Server problem."): {\displaystyle \mu ^{ex}=-k_{B}T\ln \langle e^{-\Phi /k_{b}T}\rangle _{N}}

where is the Boltzmann constant, T is the temperature, N is the number of particles within the system and is the intermolecular pair potential.

References

  1. B. Widom "Some Topics in the Theory of Fluids", Journal of Chemical Physics 39 pp. 2808-2812 (1963)
  2. B. Widom "Potential-distribution theory and the statistical mechanics of fluids", Journal of Physical Chemistry 86 pp. 869 - 872 (1982)
  3. David S. Corti "Alternative derivation of Widom's test particle insertion method using the small system grand canonical ensemble", Molecular Physics 93 pp. 417-420 (1998)