Individual ionic activity coefficients from a symmetric Poisson–Boltzmann theory
- 1 January 1992
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Faraday Transactions
- Vol. 88 (11) , 1541-1547
- https://doi.org/10.1039/ft9928801541
Abstract
A symmetric Poisson–Boltzmann equation is used to calculate individual activity coefficients for 1 : 1 and 2 : 1 primitive model electrolytes. Comparisons are made with the mean-spherical approximation and hypernetted chain integral equation predictions and available Monte Carlo simulation results. A brief comparison is also made with the mean-spherical approximation and Monte Carlo results for the aqueous mixture KCl–KF.Keywords
This publication has 21 references indexed in Scilit:
- Monte Carlo calculations of chemical potentials in ionic fluids by application of Widom's formula: Correction for finite-system effectsChemical Physics Letters, 1990
- Single-ion activity coefficients and structure of ionic fluids: results for the primitive model of electrolyte solutionsThe Journal of Physical Chemistry, 1990
- Explicit approximation for the unrestricted mean spherical approximation for ionic solutionsThe Journal of Physical Chemistry, 1989
- Experimental activity coefficients in aqueous mixed solutions of KCl and KF at 25 °C compared to Monte Carlo simulations and mean spherical approximation calculationsJournal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases, 1989
- Monte Carlo simulations of single ion chemical potentials. Results for the unrestricted primitive modelChemical Physics Letters, 1988
- Prediction of activity coefficients in aqueous electrolyte mixtures using the mean spherical approximationThe Journal of Physical Chemistry, 1987
- Comment on "Theoretical single-ion activity of calcium and magnesium ions in aqueous electrolyte mixtures"The Journal of Physical Chemistry, 1983
- On the estimation of theoretical individual activity coefficients of electrolytesZeitschrift für Physikalische Chemie, 1983
- Theoretical single-ion activity of calcium and magnesium ions in aqueous electrolyte mixturesThe Journal of Physical Chemistry, 1982
- The evaluation and use of properties of individual ions in slutionJournal of Solution Chemistry, 1978