Linking Solution Microstructure and Solvation Thermodynamics of Mixed-Solvent Systems: Formal Results, Critical Observations, and Modeling Pitfalls
Year: 2024
Type: article
Abstract: This review provides a critical assessment of the current state of affairs regarding the solvation thermodynamics involving mixed-solvent systems. It focuses specifically on (i) its rigorous molecular-based foundations, (ii) the underlying connections between the microstructural behavior of the mixed-solvent environment and its thermodynamic responses, (iii) the microstructural characterization of the behavior of the mixed-solvent environment around the dilute solute via unique fundamental structure-making/-breaking functions and the universal preferential solvation function, (iv) the discussion of potential drawbacks associated with the molecular simulation-based determination of thermodynamic preferential interaction parameters, and (v) the forensic examination of frequent modeling pitfalls behind the interpretation of preferential solvation from experimental data of Gibbs free energy of solute transfer.
Source: Thermo
Author: Ariel A. Chialvo
Language: English
Subfield: Biomedical Engineering
Field: Engineering
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $1,137
OpenAlex ID: W4402858545