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Isoenthalpic–isobaric ensemble
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Isoenthalpic–isobaric ensemble : ウィキペディア英語版
Isoenthalpic–isobaric ensemble

The isoenthalpic-isobaric ensemble (constant enthalpy and constant pressure ensemble) is a statistical mechanical ensemble that maintains constant enthalpy H \, and constant pressure P \, applied. It is also called the NpH-ensemble, where the number of particles N \, is also kept as a constant. It was developed by physicist H. C. Andersen in 1980.〔Andersen, H. C. ''Journal of Chemical Physics'' 72, 2384-2393 (1980).〕 The ensemble adds another degree of freedom, which represents the variable volume V \, of a system to which the coordinates of all particles are relative. The volume V \, becomes a dynamical variable with potential energy and kinetic energy given by PV \,.〔Hwee, Chiang Soo. ("Mechanical behavior of peptides in living systems using molecular dynamics." )〕 The enthalpy H=E+PV \, is a conserved quantity.〔(Other Statistical Ensembles )〕
== References ==



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