Thermodynamically Self-consistent Integral Equation Theory

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.

Autorentext

Dr. R. C. Singh is Professor of Physics in School of Engineering & Technology, Sharda University (India). He obtained his B.Sc. (Hons.), M.Sc. and Ph.D. degrees in Physics from Banaras Hindu University (BHU), Varanasi. Dr. Singh is presently Director of Vidya College of Engineering, Meerut.