Isothermal-isobaric ensemble: Difference between revisions
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== References == | == References == | ||
# D. Frenkel and B. Smit, "Understanding Molecular Simulation: From Alogrithms to Applications", | # D. Frenkel and B. Smit, "Understanding Molecular Simulation: From Alogrithms to Applications", AcademiscPress | ||
Revision as of 17:25, 20 February 2007
Isothermal-Isobaric ensemble: Variables:
- N (Number of particles)
- p (Pressure)
- T (Temperature)
Classical Partition Function (Atomic system, one-component, 3-dimensional space):
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 Q_{NpT} = \frac{1}{\Lambda^3} \int_{0}^{\infty} d V V^{N} \exp \left[ - \beta p V \right] \int d ( R^{3N} ) \exp \left[ - \beta U \left(V,(R)^{3N} \right) \right] }
- 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 \beta = \frac{1}{k_B T} }
- to be continued ...
References
- D. Frenkel and B. Smit, "Understanding Molecular Simulation: From Alogrithms to Applications", AcademiscPress