Heat capacities of the dipolar Yukawa model polar fluid

Abstract

The Stockmayer fluid is often used to describe a polar fluid. The dipolar Yukawa (DY) fluid is also a useful model for such fluids and is convenient for theoretical applications. Here we use the mean spherical approximation (MSA) and perturbation theory (PT) to study the heat capacities of the DY fluid model of a polar fluid and compare these results with Monte Carlo simulations for this model polar fluid. We find that the DY fluid shows the same features as the Stockmayer fluid does; demonstrating the utility of the DY fluid and further finding that the MSA and PT approaches give reasonably accurate results for the heat capacity.

Keywords:

• polar fluid
• Yukawa potential
• heat capacity
• mean spherical approximation
• perturbation theory

Acknowledgements

The authors are grateful for a generous allotment of computing time at the MARYLOU supercomputing facility of Brigham Young University. This research was supported by the Hungarian National Research Fund (OTKA K61314).