Abstract

A Barker—Henderson type splitting of the intermolecular potential has been used to obtain a non-spherical reference potential for a perturbation theory of polar fluids. Monte Carlo simulations of the non-spherical reference fluid have been performed to obtain directly the reference fluid Helmholtz free energy A 0, and the first-order free-energy term A 1. Resulting first-order expansion predicts reasonably well thermodynamic properties for the case of dipolar Lennard-Jones fluids; however, serious deviations are noted for the case of quadrupolar Lennard-Jones fluids.

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call

Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.