Surface Curvature Effects in the Aqueous Ionic Solvation of the Chloride Ion
نویسندگان
چکیده
Molecular dynamics simulations of hydrated chloride ions have been performed with a polarizable model for interface geometries of varying curvature, ranging from clusters to planar surfaces. The solvation depth profile of the chloride ion is found to depend dramatically on the curvature of the interface. This behavior is consistent with the structure-breaking character of the chloride ion, and is successfully analyzed in terms of a simple geometric model. This model is expected to be useful in predicting analogous behavior in other ionic species.
منابع مشابه
AN NMR STUDY OF IONIC SOLVATION OF ALKALINE EARTH CATIONS WITH DIMETHYLSULFOXIDE IN NITROMETHANE SOLUTION
A proton NMR method for the determination of the solvation numbers of alkaline earth cations with dimethylsulfoxide (DMSO) in nitromethane as diluent is described. The method is based on the monitoring of the resonance frequency of DMSO protons as a function of DMSO to metal ion mole ratio while keeping the metal ion concentration constant. The average solvation number of cations at any...
متن کاملVapor-Pressure Osmometry and Conductivity Determination of Salting-Out Effects in Aqueous Surface-Active Ionic Liquid 1-Dodecyl-3-methylimidazolium Bromide Solutions
Systematic studies on the vapor-liquid equilibria (VLE) and conductometric properties of aqueous solutions of model surface-active ionic liquid 1-dodecyl-3-methylimidazolium bromide ([C12mim]Br) are performed in the absence and presence of a large series of electrolytes in order to achieve a deeper understanding about the molecular mechanism behind the specific salt effect on the aggregation be...
متن کاملThermodynamic Study of L-alanine in Aqueous Solutions of 1-Hexyl-3-Methylimidazolium Ibuprofenate as an Active Pharmaceutical Ingredient Ionic Liquid (API-IL)
The present work reported density, viscosity, speed of sound, electrical conductivity and refractive index data of L-alanine in the aqueous solutions of 1-hexyl-3-methylimidazolium ibuprofenate at T= 298.15 K. Using the measured data, partial molar volume of transfer ( ), partial molar isentropic compressibility of transfer ( ), viscosity B-coefficient of transfer (∆traB), ion association const...
متن کاملStudy of Ionic Solvation and Determination of Solvation Numbers of Alkaline Earth Cations with HMPA in Nitromethane Using 1H NMR Technique
A proton NMR method for the drtermination of salvation numbers of alkaline earth cations with hexamethyl phosphoramide (HMPA) in nitromethane (NM) as diluents is described. The method is based on monitoring the resonance frequency of HMPA protons as a function of HMPA / metal ion molar ratio at constant metalion concentration. The average salvation number of cations, , at any HMPA / metal ...
متن کاملElectrical Conductivity Studies of 1-Butyl-3-methylimidazolium Salicylate as an Active Pharmaceutical Ingredient Ionic Liquid (API-IL) in Aqueous Amino Acids Solutions
The molar conductivity data of 1-butyl-3-methylimidazolium salicylate, [BMIm][Sal] as an active pharmaceutical ingredient ionic liquid (API-IL) have been determined in water and aqueous solutions of amino acids, glycine and L-alanine at T= (288.15 to 318.15) K. The molar conductivity data were analyzed by low concentration Chemical Model (lcCM) and limiting molar conductivities ( ), ion associa...
متن کامل