Studies in statistical mechanics of Coulombic systems. III. Numerical solutions of the HNC and RHNC equations for the restricted primitive model
- 15 May 1978
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 68 (10) , 4511-4523
- https://doi.org/10.1063/1.435555
Abstract
An efficient and accurate numerical procedure is used to solve the HNC and RHNC integral equations for charged hard spheres, the so‐called restricted primitive model (RPM) for electrolyte solutions and molten salts. The computed thermodynamic quantities and correlation functions are found to be in good but not excellent agreement with Monte Carlo (MC) results for densities and temperatures corresponding to the molten‐salt regime. Comparisons with the mean spherical approximation (MSA) and the truncated Γ2 approximation (TΓ2A) are also made.Keywords
This publication has 38 references indexed in Scilit:
- Perturbation approach to the classical one-component plasmaPhysical Review A, 1977
- A variational approach to the theory of ionic solutionsThe Journal of Chemical Physics, 1976
- Monte Carlo and HNC calculations for molten potassium chlorideJournal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics, 1976
- Statistical mechanics of dense ionized matter. IV. Density and charge fluctuations in a simple molten saltPhysical Review A, 1975
- Equilibrium Theory of Simple LiquidsPhysical Review A, 1972
- Radial Distributions of Ions for a Primitive Model of an Electrolyte SolutionThe Journal of Chemical Physics, 1967
- Mean Spherical Model for Lattice Gases with Extended Hard Cores and Continuum FluidsPhysical Review B, 1966
- Perturbation Correction to the Radial Distribution FunctionPhysical Review B, 1964
- New method for the calculation of the pair correlation function. IPhysica, 1959
- Analysis of Classical Statistical Mechanics by Means of Collective CoordinatesPhysical Review B, 1958