Osmotic Force Balance Evaluation of Aqueous Electrolyte Osmotic Pressures and Chemical Potentials.

ABSTRACT: Concentrated aqueous salt solutions are ubiquitous in problems of biological and environmental relevance. The development of accurate force fields that capture the interactions between dissolved species in solution is crucial to simulating these systems to gain molecular insights into the underlying processes under saline conditions. The osmotic pressure is a relatively simple thermodynamic property connecting the experimental and simulation measurements of the associative properties of the ions in solution. Milner [C. Gillespie and S. T. Milner, Soft Matter, 16, 9816 (2020)] proposed a simulation approach to evaluate the osmotic pressures of salts in solution by applying a restraint potential to the ions alone in solution and determining the resulting pressure required to ba

SUBMITTER: Hosseni A 

PROVIDER: S-EPMC10720338 | biostudies-literature | 2023 Nov

REPOSITORIES: biostudies-literature