Helmholtz free energy computer simulation

This is Carnahan and Starling s (CS) equation of state for hard spheres it agrees well with the computer simulations of hard spheres in the fluid region. The excess Helmholtz free energy... [Pg.452]

EoS based on perturbation theory and computer simulation results validity of the Barker-Henderson theory Derivation of the BGY, PY, and HNC integral equations in 2D Fourth virial coefficient Fifth virial coefficient Quantum corrections to the third and fourth virial coefficients quantum corrections to the Helmholtz free energy Results at very high densities EoS based on computer simulation results and on the five first virial coefficients No influence of number of particles for states far from the phase transitions values of RDF... [Pg.471]