Thermodynamic consistency in the symmetric Poisson–Boltzmann equation for primitive model electrolytes
- 1 January 1990
- journal article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Faraday Transactions
- Vol. 86 (20) , 3383-3390
- https://doi.org/10.1039/ft9908603383
Abstract
A Poisson–Boltzmann equation, which gives symmetric pair-correlation functions, is examined for thermodynamic consistency. The osmotic coefficients via the virial, compressibility and energy routes are obtained for primitive model electrolytes and compared to those predicted by integral equations and available Monte Carlo results. Some comparisons are made of the predicted mean activity coefficients. Analytical solutions and some numerical results are also presented for the linearized Poisson–Boltzmann equation.Keywords
This publication has 27 references indexed in Scilit:
- Numerical solution of a Poisson–Boltzmann theory for a primitive model electrolyte with size and charge asymmetric ionsJournal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics, 1987
- Symmetrical radial distribution functions in the potentially theory of electrolyte solutionsChemical Physics Letters, 1978
- Thermodynamics of the MSA for simple fluidsThe Journal of Chemical Physics, 1977
- Ion-pair correlation function in electric double layer theory. Part 1.—Ions in the diffuse layerJournal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics, 1977
- A treatment of the volume and fluctuation term in Poisson's equation in the Debye-Hückel theory of strong electrolyte solutionsMolecular Physics, 1974
- Calculation of the thermodynamic properties of electrolyte solutions using a modified Poisson-Boltzmann equationMolecular Physics, 1972
- Computations for Higher Valence Electrolytes in the Restricted Primitive ModelThe Journal of Chemical Physics, 1972
- The hypernetted chain (HNC) equation for higher valence electrolytesChemical Physics Letters, 1970
- Integral Equation Computations for Aqueous 1–1 Electrolytes. Accuracy of the MethodThe Journal of Chemical Physics, 1969
- Integral Equation Methods in the Computation of Equilibrium Properties of Ionic SolutionsThe Journal of Chemical Physics, 1968