Numerical solution of a Poisson–Boltzmann theory for a primitive model electrolyte with size and charge asymmetric ions

1987 ◽  
Vol 83 (6) ◽  
pp. 949-959 ◽  
Author(s):  
Christopher W. Outhwaite
Keyword(s):  
Numerical Solution ◽  
Primitive Model ◽  
Poisson Boltzmann

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.

Numerical Solution of the Poisson–Boltzmann Equation for a Spherical Cavity

2002 ◽  
Vol 251 (1) ◽  
pp. 85-93 ◽  
Author(s):  
José Juan López-Garcı́a ◽  
José Horno ◽  
Constantino Grosse
Keyword(s):  
Boltzmann Equation ◽  
Numerical Solution ◽  
Spherical Cavity ◽  
Poisson Boltzmann ◽  
Poisson Boltzmann Equation

scholarly journals The primitive model of ionic fluids near its critical point in the Poisson–Boltzmann and modified Poisson–Boltzmann theories

1994 ◽  
Vol 100 (11) ◽  
pp. 8301-8306 ◽  
Author(s):  
L. B. Bhuiyan ◽  
C. W. Outhwaite ◽  
M. Molero ◽  
E. González‐Tovar
Keyword(s):  
Critical Point ◽  
Primitive Model ◽  
Ionic Fluids ◽  
Poisson Boltzmann
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