Isothermal-isobaric ensemble
The isothermal-isobaric ensemble has the following variables:
-
is the number of particles
-
is the pressure
-
is the temperature
The classical partition function, for a one-component atomic system in 3-dimensional space, is given by
where
-
is the Volume:
, where
is the Boltzmann constant
represent the reduced position coordinates of the particles; i.e.
is the potential energy, which is a function of the coordinates (or of the volume and the reduced coordinates)