Isoenthalpic–isobaric ensemble
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| Statistical mechanics |
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| Microcanonical ensemble |
| Canonical ensemble |
| Grand canonical ensemble |
| Isothermal–isobaric ensemble |
| Isoenthalpic–isobaric ensemble |
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The isoenthalpic-isobaric ensemble (constant enthalpy and constant pressure ensemble) is a statistical mechanical ensemble that maintains constant enthalpy 
and constant pressure 
applied. It is also called the NpH-ensemble, where the number of particles 
is also kept as a constant. It was developed by physicist H. C. Andersen in 1980.[1] The ensemble adds another degree of freedom, which represents the variable volume 
of a system to which the coordinates of all particles are relative. The volume becomes a dynamical variable with potential energy and kinetic energy given by 
.[2]. The enthalpy 
is a conserved quantity.[3]
[edit] References
- ^ Andersen, H. C. Journal of Chemical Physics 72, 2384-2393 (1980).
- ^ Hwee, Chiang Soo. "Mechanical behavior of peptides in living systems using molecular dynamics."
- ^ Other Statistical Ensembles
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