Thermodynamic Properties of the Parabolic-Well Fluid

Abstract

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The thermodynamic properties of the parabolic-well fluid are considered. The intermolecular interaction potential of this model, which belongs to the class of the so-called van Hove potentials, shares with the square-well and the triangular well potentials the inclusion of a hard-core and an attractive well of relatively short range. The analytic second virial coefficient for this fluid is computed explicitly and an equation of state is derived with the aid of the second-order thermodynamic perturbation theory in the macroscopic compressibility approximation and taking the hard-sphere fluid as the reference system. For this latter, the fully analytical expression of the radial distribution function, consistent with the Carnahan-Starling equation of state as derived within the rational function approximation method, is employed. The results for the reduced pressure of the parabolic-well fluid as a function of the packing fraction and two values of the range of the parabolic-well potential at different temperatures are compared with Monte Carlo and Event‐driven molecular dynamics simulation data. Estimates of the values of the critical temperature are also provided.

Keywords

• van hove potential
• parabolic-well fluid
• thermodynamic perturbation theory
• equation of state
• Monte Carlo simulation
• Event-driven molecular dynamics simulation