Isothermal-isobaric ensemble
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 (Conversion error. Server ("https://wikimedia.org/api/rest_") reported: "Cannot get mml. Server problem."): {\displaystyle Q_{NpT}={\frac {1}{\Lambda ^{3}}}\int _{0}^{\infty }dVV^{N}\exp \left[-\beta pV\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", Academic Press