Thermodynamic perturbation theory and equation of state developments

TL;DR

This paper presents a novel approach using thermodynamic perturbation theory to develop equations of state for associating fluids like water, reducing computational complexity and dependence on reference models.

Contribution

It introduces an alternative method that simplifies the use of Wertheim's perturbation theory for associating fluids, avoiding algebraic solutions and reference model dependence.

Findings

Developed a new equation of state for water based on perturbation theory.

Reduced computational complexity in modeling associating fluids.

Demonstrated robustness of the approach across different reference models.

Abstract

An alternative way of utilizing the thermodynamic perturbation theory of Wertheim for the development of equations of state for associating fluid models is presented and detailed for water. The approach makes use of general features of the parameter of non-saturation to avoid the necessary solution of an algebraic equation and unbinds the results from a tight dependence on details of the simple reference fluid model used in the perturbation theory.