Analysis of excess Gibbs energy of electrolyte solutions: a new model for aqueous solutions.

摘要: Abstract This paper presents an analysis of the excess Gibbs free energy aqueous electrolytes. The experimental data leads to conclusion that equilibrium state for dilute univalent electrolytes in water involves intercalation and ionic liquid crystal domains. Excess solution is determined by Madelung hydrated ion-pair crystals, associated with a shift structural water. point such model include: molecular orbital–molecular dynamics applied electrolyte systems; Raman spectra; infrared magnetic resonance spectra ions; apparent density water; solutions. Molecular calculations relatively large clusters containing molecule sodium iodide show solvent separated ion pair exists substantial potential well compared other possible structures. solutions as function concentration can be quantitatively modeled using only pure at pair. observations are consistent structures proposed from spectral study. new provides satisfactory account fact (