Ionic hydration and single ionic activities in mixtures of two electrolytes with a common hydrated cation and one hydrated anion

1973 ◽  
Vol 45 (9) ◽  
pp. 1684-1687 ◽  
Author(s):  
R. A. Robinson ◽  
Roger G. Bates
Keyword(s):  
Ionic Hydration ◽  
Hydrated Anion

scholarly journals Origin and control of ionic hydration patterns in nanopores

2021 ◽  
Vol 2 (1) ◽  
Author(s):  
Miraslau L. Barabash ◽  
William A. T. Gibby ◽  
Carlo Guardiani ◽  
Alex Smolyanitsky ◽  
Dmitry G. Luchinsky ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Distribution Functions ◽  
Water Molecules ◽  
Surrounding Water ◽  
Ionic Hydration ◽  
Hydration Shells ◽  
Water Layers ◽  
Dynamics Simulations ◽  
And Control

AbstractIn order to permeate a nanopore, an ion must overcome a dehydration energy barrier caused by the redistribution of surrounding water molecules. The redistribution is inhomogeneous, anisotropic and strongly position-dependent, resulting in complex patterns that are routinely observed in molecular dynamics simulations. Here, we study the physical origin of these patterns and of how they can be predicted and controlled. We introduce an analytic model able to predict the patterns in a graphene nanopore in terms of experimentally accessible radial distribution functions, giving results that agree well with molecular dynamics simulations. The patterns are attributable to a complex interplay of ionic hydration shells with water layers adjacent to the graphene membrane and with the hydration cloud of the nanopore rim atoms, and we discuss ways of controlling them. Our findings pave the way to designing required transport properties into nanoionic devices by optimising the structure of the hydration patterns.

Membrane ion channels and ionic hydration energies

1980 ◽  
Vol 211 (1182) ◽  
pp. 51-62 ◽  
Keyword(s):  
Aqueous Solution ◽  
Ion Channels ◽  
Binding Sites ◽  
Low Energy ◽  
Electrostatic Energy ◽  
Ionic Hydration ◽  
Ionic Size ◽  
Hydration Energies ◽  
Ordered Water

The difficulty of modelling ion channels in membranes due to the low electrostatic energy of small ions in aqueous solution is discussed. Models based upon ordered water cage structures are shown to provide suitable low energy binding sites which are selective both for unhydrated ionic size and valence. The barriers for motion of ions within these channels are shown to be low.

Hydrophobic and Ionic Hydration Phenomena

1986 ◽  
Vol 482 (1 Computer Simu) ◽  
pp. 115-126 ◽  
Author(s):  
PETER J. ROSSKY
Keyword(s):  
Ionic Hydration

Spatial-Decomposition Analysis of Energetics of Ionic Hydration

2016 ◽  
Vol 120 (8) ◽  
pp. 1813-1821 ◽  
Author(s):  
George Mogami ◽  
Makoto Suzuki ◽  
Nobuyuki Matubayasi
Keyword(s):  
Decomposition Analysis ◽  
Spatial Decomposition ◽  
Ionic Hydration

Mg2+-Channel-Inspired Nanopores for Mg2+/Li+ Separation: The Effect of Coordination on the Ionic Hydration Microstructures

Langmuir ◽  
2017 ◽  
Vol 33 (36) ◽  
pp. 9201-9210 ◽  
Author(s):  
Yudan Zhu ◽  
Yang Ruan ◽  
Yumeng Zhang ◽  
Yaojia Chen ◽  
Xiaohua Lu ◽  
...  
Keyword(s):  
Ionic Hydration

Free Energy of Ionic Hydration

1996 ◽  
Vol 100 (4) ◽  
pp. 1206-1215 ◽  
Author(s):  
Gerhard Hummer ◽  
Lawrence R. Pratt ◽  
Angel E. García
Keyword(s):  
Free Energy ◽  
Ionic Hydration
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