Ion hydration: thermodynamic and structural analysis with an integral equation theory of liquids
SH Chong, F Hirata - The Journal of Physical Chemistry B, 1997 - ACS Publications
… We present a theoretical study for ion hydration based on an integral equation method … ,
especially the partial molar volumes of individual ions at infinite dilution. Special attention is paid …
especially the partial molar volumes of individual ions at infinite dilution. Special attention is paid …
Theory of ionic hydration: Insights from molecular dynamics simulations and experiment
… hydration enthalpies of alkali and alkaline earth metal ions as … ions were consistent with eq
1 if R=R ion + Δ, where R ion is … Equation 4 is verified for “realistic” ions using experimental R …
1 if R=R ion + Δ, where R ion is … Equation 4 is verified for “realistic” ions using experimental R …
On the hydration of simple ions and polyions
BE Conway, JE Desnoyers… - … Transactions of the …, 1964 - royalsocietypublishing.org
… bution to ks is of the order 0-025 to 0-035 and is approximately equal to the difference between
the predictions of the two theoretical equations (3-17) and (3-20) for a given ion. Since in …
the predictions of the two theoretical equations (3-17) and (3-20) for a given ion. Since in …
Reevaluation of the Born model of ion hydration
AA Rashin, B Honig - The journal of physical chemistry, 1985 - ACS Publications
… The ionic radii of anions are shown to be … ionic crystals, that covalent radii rather than ionic
radii must be used. When these measures of cavity size are introduced into the Born equation, …
radii must be used. When these measures of cavity size are introduced into the Born equation, …
Calculation of thermodynamic functions for ionic hydration
S Goldman, RG Bates - Journal of the American Chemical Society, 1972 - ACS Publications
… properties of water in the primary hydration shell, and a Born … gas-phase single-ion
hydration data. From a comparison of … of the gaseous hydrate was estimated with the equations …
hydration data. From a comparison of … of the gaseous hydrate was estimated with the equations …
Phenomenological theory of ion solvation. Effective radii of hydrated ions
ER Nightingale Jr - The Journal of Physical Chemistry, 1959 - ACS Publications
… of the translational and rotational entropies of the gaseous ions as may be calculated from
the Sackur-Tetrode equation and the rotational partition function respectively.19 The partial …
the Sackur-Tetrode equation and the rotational partition function respectively.19 The partial …
Dependence of ion hydration on the sign of the ion's charge
A Grossfield - The Journal of chemical physics, 2005 - pubs.aip.org
… of ion selectivity, we must first understand ionic hydration. Significant efforts have been made
to explore the physical properties of hydrated ions … the Born equation at a molecular level. …
to explore the physical properties of hydrated ions … the Born equation at a molecular level. …
Ionic hydration and activity in electrolyte solutions
RH Stokes, RA Robinson - Journal of the American Chemical …, 1948 - ACS Publications
… In this paper it is shown that the concept of ion-solvent interaction, or ionic … equation,
introducing the effect of ion-solvent interaction in terms of “hydration,” which is applicable up to ionic …
introducing the effect of ion-solvent interaction in terms of “hydration,” which is applicable up to ionic …
Molecular dynamics study on ionic hydration
J Zhou, X Lu, Y Wang, J Shi - Fluid Phase Equilibria, 2002 - Elsevier
… –Einstein equation, the diffusion coefficient of a particle should be inversely proportional to
its radius. If the Pauling radius of an ion is substituted into Stokes–Einstein equation, the fact …
its radius. If the Pauling radius of an ion is substituted into Stokes–Einstein equation, the fact …
Partial Molar Volume and Compressibility of Alkali− Halide Ions in Aqueous Solution: Hydration Shell Analysis with an Integral Equation Theory of Molecular Liquids
T Imai, H Nomura, M Kinoshita… - The Journal of Physical …, 2002 - ACS Publications
… the primary hydration shell, we can make contact with the classical models of ion hydration
proposed by Frank−Wen and Samoilov. Water molecules in the immediate vicinity of an ion …
proposed by Frank−Wen and Samoilov. Water molecules in the immediate vicinity of an ion …
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