Widom test-particle method: Difference between revisions
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Carl McBride (talk | contribs) (New page: The excess chemical potential is given by :<math>\mu^{ex} = -k_BT \ln \langle e^{-\Phi/k_bT}\rangle_N</math> where <math>k_B</math> is the Boltzmann constant, ''T'' is the [[temp...) |
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#[http://dx.doi.org/10.1063/1.1734110 B. Widom "Some Topics in the Theory of Fluids", Journal of Chemical Physics '''39''' pp. 2808-2812 (1963)] | #[http://dx.doi.org/10.1063/1.1734110 B. Widom "Some Topics in the Theory of Fluids", Journal of Chemical Physics '''39''' pp. 2808-2812 (1963)] | ||
#[http://dx.doi.org/10.1021/j100395a005 B. Widom "Potential-distribution theory and the statistical mechanics of fluids", Journal of Physical Chemistry '''86''' pp. 869 - 872 (1982)] | #[http://dx.doi.org/10.1021/j100395a005 B. Widom "Potential-distribution theory and the statistical mechanics of fluids", Journal of Physical Chemistry '''86''' pp. 869 - 872 (1982)] | ||
#[http://dx.doi.org/10.1080/002689798169104 David S. | #[http://dx.doi.org/10.1080/002689798169104 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)] | ||
[[category: computer simulation techniques]] | [[category: computer simulation techniques]] | ||
Revision as of 19:01, 22 September 2007
The excess chemical potential is given by
- Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \mu^{ex} = -k_BT \ln \langle e^{-\Phi/k_bT}\rangle_N}
where Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle k_B} is the Boltzmann constant, T is the temperature, N is the number of particles within the system and Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \Phi} is the intermolecular pair potential.
References
- B. Widom "Some Topics in the Theory of Fluids", Journal of Chemical Physics 39 pp. 2808-2812 (1963)
- B. Widom "Potential-distribution theory and the statistical mechanics of fluids", Journal of Physical Chemistry 86 pp. 869 - 872 (1982)
- 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)