[HTML][HTML] The nature of the hydrophobic interaction varies as the solute size increases from methane's to C60's

H Naito, T Sumi, K Koga - The Journal of Chemical Physics, 2024 - pubs.aip.org
The hydrophobic interaction, often combined with the hydrophilic or ionic interactions,
makes the behavior of aqueous solutions very rich and plays an important role in biological …

How do water-mediated interactions and osmotic second virial coefficients vary with particle size?

H Naito, T Sumi, K Koga - Faraday Discussions, 2024 - pubs.rsc.org
We examine quantitatively the solute-size dependences of the effective interactions between
nonpolar solutes in water and in a simple liquid. The potential w (r) of mean force and the …

Molecular-Based Description of the Osmotic Second Virial Coefficients of Electrolytes: Rigorous Formal Links to Solute− Solvent Interaction Asymmetry, Virial …

AA Chialvo - The Journal of Physical Chemistry B, 2022 - ACS Publications
We introduce a molecular-based route to the evaluation of the osmotic second virial
coefficients of dissociative solutes in dilute binary solutions, according to a general …

Theory of gas solubility and hydrophobic interaction in aqueous electrolyte solutions

R Okamoto, K Koga - The Journal of Physical Chemistry B, 2021 - ACS Publications
Ion-specific effects on the solubility of nonpolar solutes and on the solute–solute
hydrophobic interaction in aqueous electrolyte solutions are studied on the basis of a …

Theory of electrolytes including steric, attractive, and hydration interactions

R Okamoto, K Koga, A Onuki - The Journal of Chemical Physics, 2020 - pubs.aip.org
We present a continuum theory of electrolytes composed of a waterlike solvent and
univalent ions. First, we start with a density functional F for the coarse-grained solvent …

[HTML][HTML] On the Solute-Induced Structure-Making/Breaking Phenomena: Myths, Verities, and Misuses in Solvation Thermodynamics

AA Chialvo - Liquids, 2024 - mdpi.com
We review the statistical mechanic foundations of the fundamental structure-
making/breaking functions, leading to the rigorous description of the solute-induced …

On the solute-induced structure-making/breaking effect: rigorous links among microscopic behavior, solvation properties, and solution non-ideality

AA Chialvo - The Journal of Physical Chemistry B, 2019 - ACS Publications
We studied the solute-induced perturbation of the solvent environment around a solute
species from a microscopic viewpoint and propose a novel approach to the understanding of …

[HTML][HTML] Osmotic second virial coefficients for hydrophobic interactions as a function of solute size

H Naito, R Okamoto, T Sumi, K Koga - The Journal of Chemical …, 2022 - pubs.aip.org
To gain quantitative insight into how the overall strength of the hydrophobic interaction
varies with the molecular size, we calculate osmotic second virial coefficients B for …

Hydrophobicity varying with temperature, pressure, and salt concentration

K Koga, N Yamamoto - The Journal of Physical Chemistry B, 2018 - ACS Publications
Temperature-, pressure-, and salt-concentration-induced variations in the solubility of small
nonpolar solutes in aqueous solution and the corresponding variations in the solvent …

Theory of nonionic hydrophobic solutes in mixture solvent: Solvent-mediated interaction and solute-induced phase separation

R Okamoto, A Onuki - The Journal of Chemical Physics, 2018 - pubs.aip.org
We present a theory of nonionic solutes in a mixture solvent composed of water-like and
alcohol-like species. First, we show the relationship among the solvation chemical potential …