Solvation Thermodynamics and Its Applications [PDF]
EntropyIn this article, we start by describing a few “definitions” of the solvation processes, which were used in the literature until about 1980. Then, we choose one of these definitions and show that it has a simple molecular interpretation.
Arieh Ben-Naim
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A van der Waals Model of Solvation Thermodynamics [PDF]
EntropyExploiting the van der Waals model of liquids, it is possible to derive analytical formulas for the thermodynamic functions governing solvation, the transfer of a solute molecule from a fixed position in the ideal gas phase to a fixed position in the ...
Attila Tortorella, Giuseppe Graziano
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Concentration Scales and Solvation Thermodynamics: Some Theoretical and Experimental Observations Regarding Spontaneity and the Partition Ratio [PDF]
EntropyThe solvation thermodynamics (ST) formalism proposed by A. Ben-Naim is a mathematically rigorous and physically grounded theory for describing properties related to solvation.
Diego J. Raposo da Silva +2 more
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Compensation Relationships in the Solvation Thermodynamics of Proton Acceptors in Aliphatic Alcohols
LiquidsSolvent association and solute–solvent complexation are known to influence the relationship between the thermodynamic functions of solvation, known as the compensation relationship.
Mikhail I Yagofarov, Mansur B Khisamiev
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Modern Solvation Thermodynamics from Macroscopic to Microscopic Approach [PDF]
EntropyThe concept of solvation was originally studied within thermodynamics. This may be referred to as the macroscopic approach to solvation. It involved the transfer of solute from the gaseous phase into the solvent under well-specified thermodynamic ...
Arieh Ben-Naim
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Differences in solvation thermodynamics of oxygenates at Pt/Al2O3 perimeter versus Pt(111) terrace sites [PDF]
iScience, 2023 Summary: A prominent role of water in aqueous-phase heterogeneous catalysis is to modify free energies; however, intuition about how is based largely on pure metal surfaces or even homogeneous solutions.
Ricardo A. Garcia Carcamo +7 more
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Liquids, 2023 There is a remarkable wealth of thermodynamic information in freely accessible databases, the LSER database being a classical example. The LSER, or Abraham solvation parameter model, is a very successful predictive tool in a variety of applications in ...
Costas Panayiotou +3 more
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General Relationship Between Gibbs Energies and Enthalpies of Solvation, Vaporization, and Complexation for Molecular Compounds [PDF]
MoleculesThe Gibbs equation describes the relationship between the enthalpy (∆H), entropy (∆S), and Gibbs energy (∆G) changes in physicochemical processes: ∆G = ∆H − T∆S.
Boris N. Solomonov, Mikhail I. Yagofarov
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Coordination–Entropy Regulation: Toward Unified Design of Hydrogel Electrolytes for Practical Wide-Temperature Zinc-Ion Batteries [PDF]
Nano-Micro LettersHighlights Critical limitations of hydrogel electrolytes operation under wide-temperature conditions are systematically summarized. A coordination–entropy regulation framework is proposed to unify Zn2+ solvation chemistry, electrolyte thermodynamics and ...
Cong Wang +5 more
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Molecular Modelling of Ionic Liquids: Situations When Charge Scaling Seems Insufficient
Molecules, 2023 Charge scaling as an effective solution to the experiment–computation disagreement in molecular modelling of ionic liquids (ILs) could bring the computational results close to the experimental reference for various thermodynamic properties.
Zhaoxi Sun +8 more
doaj +1 more source