Journal of the Chemical Society Faraday Transactions · 1992 · 41 citations · 19 references
EngineeringComputational ChemistryChemistryTheoretical ElectrochemistryIon ProcessMonte Carlo ResultsThermodynamic ModellingMolecular ThermodynamicsPrimitive Model ElectrolytesSymmetric Poisson–boltzmann TheoryMolecular SimulationBiophysicsChemical ThermodynamicsPhysicsSymmetric Poisson–boltzmann EquationPhysical ChemistryQuantum ChemistryComputational ModelingElectrochemistryNatural SciencesChemical KineticsIon Structure
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.
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Equilibrium Thermodynamic Properties of the Mixture of Hard Spheres
G. Ali Mansoori, Norman F. Carnahan, K.E. Starling et al. · The Journal of Chemical Physics · 1971 · 2.1K citations
I Prigogine · Annual Review of Physical Chemistry · 1955 · 245 citations
Hard sphere correlation functions in the Percus-Yevick approximation
John W. Perram · Molecular Physics · 1975 · 238 citations