Journal
PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS
Volume 492, Issue -, Pages 1988-1996Publisher
ELSEVIER
DOI: 10.1016/j.physa.2017.11.113
Keywords
Classical statistical thermodynamics; Fluctuation solution theory; Inhomogeneous solvation theory; Preferential solvation; Gibbs adsorption isotherm
Categories
Funding
- Gen Foundation
- Japan Society for the Promotion of Science [15K13550, JP26240045]
- Elements Strategy Initiative for Catalysts and Batteries
- Post-IC Supercomputing Project from the Ministry of Education, Culture, Sports, Science, and Technology
- HPCI System Research Project [hp170097, hp170221]
- Grants-in-Aid for Scientific Research [15K13550, 26240045] Funding Source: KAKEN
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How cosolvents affects solvation has been revealed through the independent determination of solute-solvent and solute-cosolvent interactions guaranteed by the phase rule. Based on the first principles of inhomogeneous solvation theory, we present here a general matrix theory encompassing both preferential solvation and surface adsorption. The central role of the stability conditions, that govern how many excess numbers (surface excesses) are independently determinable, have been clarified from the first principles. The advantage of the inhomogeneous approach has been demonstrated to be in its ease in treating solvation and adsorption in a unified manner, while its disadvantage, for example in membrane dialysis experiments, can be overcome by the inhomogeneous homogeneous conversion. (C) 2017 Elsevier B.V. All rights reserved.
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