Bookcover of Thermodynamically Self-consistent Integral Equation Theory
Booktitle:
Thermodynamically Self-consistent Integral Equation Theory
Structure of Hard Ellipsoids of Revolution
LAP LAMBERT Academic Publishing
(2012-10-18
)
eligible for voucher
ISBN-13:
978-3-659-27725-2
ISBN-10:
3659277258
EAN:
9783659277252
Book language:
English
Blurb/Shorttext:
A thermodynamically self-consistent integral equation theory in which the hypernetted-chain (HNC) and Percus-Yevick (PY) approximations are mixed as a function of intermolecular separation for pair correlation functions of molecular fluids is described. This integral equation has been solved for a fluid of hard ellipsoids of revolutions (HER) of fixed geometry. Thermodynamic consistency between the virial and compressibility equation of state is achieved by varying a single parameter in a suitably chosen mixing function. When compared to available computer simulation data, the equation is found to yield excellent results for both the thermodynamic properties and the pair-correlation functions.