Analytical integral equation theory for a restricted primitive model of polyelectrolytes and counterions within the mean spherical approximation. I. Thermodynamic properties

1999 ◽  
Vol 111 (10) ◽  
pp. 4839-4850 ◽  
Author(s):  
N. von Solms ◽  
Y. C. Chiew
Keyword(s):  
Integral Equation ◽  
Thermodynamic Properties ◽  
Spherical Approximation ◽  
Mean Spherical Approximation ◽  
Integral Equation Theory ◽  
Primitive Model ◽  
Restricted Primitive Model ◽  
The Mean

scholarly journals Structure and thermodynamics in the linear modified Poisson-Boltzmann theories in restricted primitive model electrolytes

2021 ◽  
Vol 24 (2) ◽  
pp. 23801
Author(s):  
L. B. Bhuiyan
Keyword(s):  
Activity Coefficient ◽  
Distribution Functions ◽  
Spherical Approximation ◽  
Mean Spherical Approximation ◽  
Primitive Model ◽  
Restricted Primitive Model ◽  
Mean Activity Coefficient ◽  
Poisson Boltzmann ◽  
Electrical Part ◽  
The Mean

Structure and thermodynamics in restricted primitive model electrolytes are examined using three recently developed versions of a linear form of the modified Poisson-Boltzmann equation. Analytical expressions for the osmotic coefficient and the electrical part of the mean activity coefficient are obtained and the results for the osmotic and the mean activity coefficients are compared with that from the more established mean spherical approximation, symmetric Poisson-Boltzmann, modified Poisson-Boltzmann theories, and available Monte Carlo simulation results. The linear theories predict the thermodynamics to a remarkable degree of accuracy relative to the simulations and are consistent with the mean spherical approximation and modified Poisson-Boltzmann results. The predicted structure in the form of the radial distribution functions and the mean electrostatic potential also compare well with the corresponding results from the formal theories. The excess internal energy and the electrical part of the mean activity coefficient are shown to be identical analytically for the mean spherical approximation and the linear modified Poisson-Boltzmann theories.

Some Explicit Results for the Mean Spherical Approximation for Mixtures of Yukawa Fluids

2008 ◽  
Vol 73 (3) ◽  
pp. 424-438 ◽  
Author(s):  
Douglas J. Henderson ◽  
Osvaldo H. Scalise
Keyword(s):  
Integral Equation ◽  
Spherical Approximation ◽  
Mean Spherical Approximation ◽  
Inverse Temperature ◽  
Temperature Expansion ◽  
Yukawa Fluid ◽  
The Mean ◽  
Full Solution ◽  
Insight Into ◽  
Reasonable Model

The mean spherical approximation (MSA) is of interest because it produces an integral equation that yields useful analytical results for a number of fluids. One such case is the Yukawa fluid, which is a reasonable model for a simple fluid. The original MSA solution for this fluid, due to Waisman, is analytic but not explicit. Ginoza has simplified this solution. However, Ginoza's result is not quite explicit. Some years ago, Henderson, Blum, and Noworyta obtained explicit results for the thermodynamic functions of a single-component Yukawa fluid that have proven useful. They expanded Ginoza's result in an inverse-temperature expansion. Even when this expansion is truncated at fifth, or even lower, order, this expansion is nearly as accurate as the full solution and provides insight into the form of the higher-order coefficients in this expansion. In this paper Ginoza's implicit result for the case of a rather special mixture of Yukawa fluids is considered. Explicit results are obtained, again using an inverse-temperature expansion. Numerical results are given for the coefficients in this expansion. Some thoughts concerning the generalization of these results to a general mixture of Yukawa fluids are presented.

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