Journal ArticleDOI
Ion-solvent interaction. Structural aspects of ion-solvent interaction in aqueous solutions: a suggested picture of water structure
Henry S. Frank,Wen-Yang Wen +1 more
TLDR
In this paper, a new picture of water as consisting of flickering clusters of hydrogen-bonded molecules is presented, in which the cooperative nature of cluster formation and relaxation is related to the partially covalent character which is postulated for the hydrogen bond.Abstract:
: In addition to the direct action of the ionic charge on water as a dielectric medium, ions may exert an influence on the equilibrium between the ice-like and non-ice-like forms which are present in room-temperature water. This provides a way of accounting for experimental results in a variety of areas, including entropy, heat capacity, temperature of maximum density, tracer selfdiffusion, thermal conductivity, and dielectric relaxation, as well as viscosity and ionic mobility and their temperature coefficients. The tetrabutyl ammonium cation acts as a structure-promoter in the same way as do non-polar solutes, amino acids and fatty acid anions. These various effects seem explicable in a straightforward manner in terms of a new picture of water as consisting of flickering clusters of hydrogen-bonded molecules, in which the cooperative nature of cluster formation and relaxation is related to the partially covalent character which is postulated for the hydrogen bond. (Author)read more
Citations
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Journal ArticleDOI
Quantum mechanical continuum solvation models.
TL;DR: This paper presents a meta-modelling procedure called "Continuum Methods within MD and MC Simulations 3072", which automates the very labor-intensive and therefore time-heavy and expensive process of integrating discrete and continuous components into a discrete-time model.
Book ChapterDOI
Protein denaturation. C. Theoretical models for the mechanism of denaturation.
TL;DR: This chapter reviews theoretical models that might be constructed and equations that may be derived from them to understand the process of protein denaturation and finds that they can be predicted semiquantitatively.
Journal ArticleDOI
Structure and nanostructure in ionic liquids.
Journal ArticleDOI
The relationship between liquid, supercooled and glassy water
Osamu Mishima,H. Eugene Stanley +1 more
TL;DR: This article showed that water can exist in two distinct "glassy" forms, low and high density amorphous ice, which may provide the key to understanding some of the puzzling characteristics of cold and supercooled water.
Journal ArticleDOI
The Hofmeister effect and the behaviour of water at interfaces.
TL;DR: The first general, detailed qualitative molecular mechanism for the origins of ion-specific (Hofmeister) effects on the surface potential difference at an air-water interface is proposed; this mechanism suggests a simple model for the behaviour of water at all interfaces, regardless of whether the non-aqueous component is neutral or charged, polar or non-polar.
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