Statistical Mechanical Theory of Rod-Like Molecular Fluids with Kihara-Type Interactions. II. Thermodynamic Properties

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Abstract
Expressions for thermodynamic properties as functionals of a pair distribution function depending only on the shortest distance between molecular cores are presented. Values of internal energy, entropy, enthalpy and pressure, by two ways, were computed for a linear core and for a spherical core of CO2 molecule. Pair distribution function for linear core is taken from a new approximation derived by the authors in a previous paper, to solve Percus-Yevick equation for linear molecules. Pair distribution function for spherical core is calculated from the Percus-Yevick equation by standard methods. The comparison with experimental results shows non-spherical theory improves considerably the agreement. A brief discussion about the scope of the approximations made in the derivation of non-spherical theory is presented.