Gibbs ensemble simulation of mixed solvent electrolyte solutions

The study of ion- solvent interaction is of much importance to investigate the nature of different solutions. Measurement of electrical conductivity and evaluation of physico-chemical properties, such as molar conductance, limiting molar conductance, ion-pair association, Walden product etc. shade light on different intermolecular interactions present in electrolyte solutions. Solvation properties can be varied by mixing two or more solvents. An extensive literature survey on conductometric studies has been carried out on different electrolytes dissolved in a wide range of mixed solvent systems. The reported results show that strong solute-solute, solute-solvent and solvent-solvent interactions are responsible for the physico- chemical behavior of a solution in mixed solvents.

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Vapor-liquid equilibria for pure substances by Gibbs ensemble simulation of Stockmayer potential molecules

Fluid Phase Equilibria ◽

10.1016/s0378-3812(97)00087-3 ◽

1997 ◽

Vol 137 (1-2) ◽

pp. 87-98 ◽

Cited By ~ 8

Author(s):

Guangtu Gao ◽

Wenchuan Wang ◽

X.C. Zeng

Keyword(s):

Gibbs Ensemble ◽

Ensemble Simulation ◽

Pure Substances ◽

Vapor Liquid Equilibria ◽

Vapor Liquid

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An Improved Equation for the Liquid Junction Potential at the Interface of Different Solvents

Australian Journal of Chemistry ◽

10.1071/ch9921633 ◽

1992 ◽

Vol 45 (10) ◽

pp. 1633 ◽

Cited By ~ 2

Author(s):

A Berne ◽

C Kahanda ◽

O Popovych

Keyword(s):

Mixed Solvent ◽

Electrolyte Solutions ◽

Transport Numbers ◽

Liquid Junction Potential ◽

Aqueous Methanol ◽

Liquid Junction ◽

Chemical Potentials ◽

Solvent Dependence ◽

New Equation ◽

Junction Potential

The component of the liquid-junction potential due to the diffusion of ions across an interface of electrolyte solutions in different solvents was formulated by taking into account the solvent dependence of the transport numbers, t, and of the chemical potentials of ions in the interphase region as determined from experimental data on their variation in the mixed-solvent compositions. The new equation was applied to NaCl/NaCl and HCl/HCl junctions between water and methanol-water solvents over the entire solvent range. Significant differences between the results obtained with the new equation and the old formulation, which treated the transport numbers as solvent-independent, were observed only for the HCl junctions involving 90-100 wt % aqueous methanol, where tH exhibits a sharp minimum as a function of the solvent composition.

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