Evaluation of Different Models for Thermodynamic Properties in Aqueous Electrolyte Systems
Abstract
Electrolyte solutions are central to a wide range of scientific and industrial applications, yet accurately modeling their thermodynamic behavior remains a significant challenge. This study investigates the predictive performance of the electrolyte SAFT-VR Mie equation of state with respect to mean ionic activity coefficients (MIAC). We evaluate the influence of key modeling choices, including the treatment of segment diameters, effective distance definitions, and combining rules, on the accuracy of MIAC predictions.
Different parameterization strategies from the literature are compared to assess their consistency and robustness across multiple electrolyte systems. This work provides a framework for analyzing parameter sensitivity and highlights key factors that govern the reliability of MIAC predictions within the SAFT-VR Mie approach.