Analytic perturbative FMSA equation of state and thermodynamic properties from Monte Carlo simulation of the Kihara potential with a spherical core

Abstract

A new equation of state is found to reproduce analytically the thermodynamic properties of fluids interacting with a spherical Kihara potential formulated for arbitrary values of the inner hard core. The results from the expressions developed are satisfactorily compared with the Monte Carlo simulation data for a wide range of densities and temperatures. The foundation of the new equation is strictly theoretical, based on the first-order mean spherical approximation perturbation approach of Tang and Lu, and provides a good starting point for the description of polyatomic fluids within the benchmark of Wertheim's first-order perturbation theory of associating fluids.

Keywords:

• liquids
• statistical thermodynamics
• perturbation theory
• Kihara potential

Disclosure statement

No potential conflict of interest was reported by the authors.

Additional information

Funding

This work was financially supported from project [grant number FIS2010-22047-C05-05].