Local thermodynamic consistency for integral equations describing single-component fluids.

Abstract

A new closure approximation is presented here, and it is based on two thermodynamic relations, namely, a particular case of a local expression together with a global thermodynamic condition. The results obtained from this local approximation are compared with thermodynamic and structural properties determined by using well-established closure approximations as well as numerical simulations for different kinds of interaction potentials. In terms of numerical simulations, the new closure delivers results similar to and sometimes better than the well-known closure relations that are specialized in certain types of interactions.