Aqueous solutions of tetraalkylammonium halides: ion hydration, dynamics and ion–ion interactions in light of steric effects

2014 ◽  
Vol 16 (26) ◽  
pp. 13447-13457 ◽  
Author(s):  
Debsindhu Bhowmik ◽  
Natalie Malikova ◽  
Guillaume Mériguet ◽  
Olivier Bernard ◽  
José Teixeira ◽  
...  
Keyword(s):  
Aqueous Solutions ◽  
Steric Effects ◽  
Ion Hydration ◽  
Ion Interactions ◽  
Tetraalkylammonium Halides ◽  
Hydration Dynamics

The absence of hydrophobicity-driven cation aggregation is reported in TMABr and TBABr aqueous solutions, by means of microscopic simulations.

Contrasting hydration dynamics in DME and DMSO aqueous solutions: A combined optical pump-probe and GHz-THz dielectric relaxation investigation

2019 ◽  
Vol 290 ◽  
pp. 111194 ◽  
Author(s):  
Debasish Das Mahanta ◽  
Sk Imadul Islam ◽  
Samiran Choudhury ◽  
Dipak Kumar Das ◽  
Rajib Kumar Mitra ◽  
...  
Keyword(s):  
Aqueous Solutions ◽  
Dielectric Relaxation ◽  
Optical Pump ◽  
Pump Probe ◽  
Hydration Dynamics

Solvation and ion–ion interactions in aqueous and non-aqueous solutions of cationic cytostatic agent prospidium chloride

2019 ◽  
Vol 29 (4) ◽  
pp. 441-443
Author(s):  
Andrey V. Kustov ◽  
Tatiyana V. Kudayarova ◽  
Olga A. Antonova ◽  
Nataliya L. Smirnova ◽  
Andrey A. Kladiev ◽  
...  
Keyword(s):  
Aqueous Solutions ◽  
Cytostatic Agent ◽  
Ion Interactions

Ion Interactions across Graphene in Electrolyte Aqueous Solutions

2019 ◽  
Vol 123 (15) ◽  
pp. 9799-9806 ◽  
Author(s):  
Martin Pykal ◽  
Michal Langer ◽  
Barbora Blahová Prudilová ◽  
Pavel Banáš ◽  
Michal Otyepka
Keyword(s):  
Aqueous Solutions ◽  
Ion Interactions

Hydroxide Ion Hydration in Aqueous Solutions

2007 ◽  
Vol 111 (15) ◽  
pp. 2889-2897 ◽  
Author(s):  
Maciej Śmiechowski ◽  
Janusz Stangret
Keyword(s):  
Aqueous Solutions ◽  
Ion Hydration ◽  
Hydroxide Ion

Ion Hydration Under Pressure: A Molecular Dynamics Study

2013 ◽  
Vol 68 (1-2) ◽  
pp. 112-122 ◽  
Author(s):  
Maksym Druchok ◽  
Myroslav Holovko
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solutions ◽  
Dynamic Properties ◽  
Ion Hydration ◽  
Coordination Numbers ◽  
Self Diffusion ◽  
Velocity Autocorrelation ◽  
Hydration Behaviour ◽  
Hydration Shells ◽  
Dynamics Simulations

This study is intended to elucidate the role of pressure on the hydration behaviour of ions in aqueous solutions. Molecular dynamics simulations were performed for systems modelling CsF, CsCl, CsBr, and CsI aqueous solutions under ‘normal’ (105 Pa, 298 K) and ‘high pressure’ (4 ·109 Pa, 500 K) conditions. Structural details are discussed in terms of radial distributions functions, coordination numbers, and instantaneous configurations of the ionic hydration shells. The dynamic properties studied include the velocity autocorrelation functions and self-diffusion coefficients of the ions for both pressure regimes. The results indicate strong changes in the hydration behaviour and mobility of the ions.

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