Thermodynamic perturbation theory applied to the dipolar heteronuclear dumbbell fluid

The perturbation theory of Stell and coworkers as extended by Boublík and Vega is applied to the dipolar heteronuclear dumbbell fluid using the hard heteronuclear dumbbell fluid as a reference system. Monte Carlo simulations in the constant pressure and temperature ensemble have been carried out to determine the accuracy of the theory. The calculated thermodynamic properties are density, internal energy, and chemical potential. The theory shows good agreement with the simulation results over a large range of densities and dipole moments, similar to the findings of Patey and Valleau for dipolar hard spheres.