Restricted primitive model for electrical double layers: Modified HNC theory of density profiles and Monte Carlo study of differential capacitance

1986 ◽  
Vol 85 (5) ◽  
pp. 2943-2950 ◽  
Author(s):  
P. Ballone ◽  
G. Pastore ◽  
M. P. Tosi
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Study ◽  
Differential Capacitance ◽  
Double Layers ◽  
Density Profiles ◽  
Primitive Model ◽  
Restricted Primitive Model ◽  
Electrical Double Layers

Influence of a size asymmetric dimer on the structure and differential capacitance of an electric double layer. A Monte Carlo study

2017 ◽  
Vol 226 ◽  
pp. 98-103 ◽  
Author(s):  
Stanisław Lamperski ◽  
Lutful Bari Bhuiyan ◽  
Douglas Henderson ◽  
Monika Kaja ◽  
Whasington Silvestre-Alcantara
Keyword(s):  
Monte Carlo ◽  
Double Layer ◽  
Electric Double Layer ◽  
Monte Carlo Study ◽  
Differential Capacitance ◽  
Asymmetric Dimer

A mean spherical approximation study of the capacitance of an electric double layer formed by a high density electrolyte

2010 ◽  
Vol 75 (3) ◽  
pp. 303-312 ◽  
Author(s):  
Douglas Henderson ◽  
Stanisław Lamperski ◽  
Christopher W. Outhwaite ◽  
Lutful Bari Bhuiyan
Keyword(s):  
Double Layer ◽  
Linear Response Theory ◽  
Differential Capacitance ◽  
Double Layers ◽  
Spherical Approximation ◽  
Mean Spherical Approximation ◽  
Simple Extension ◽  
Restricted Primitive Model ◽  
Poisson Boltzmann ◽  
Small Electrode

In a recent grand canonical Monte Carlo simulation and modified Poisson–Boltzmann (MPB) theoretical study of the differential capacitance of a restricted primitive model double layer at high electrolyte densities, Lamperski, Outhwaite and Bhuiyan (J. Phys. Chem. B 2009, 113, 8925) have reported a maximum in the differential capacitance as a function of electrode charge, in contrast to that seen in double layers at lower ionic densities. The venerable Gouy–Chapman–Stern (GCS) theory always yields a minimum and gives values for the capacitance that tend to be too small at these higher densities. In contrast, the mean spherical approximation (MSA) leads to better agreement with the simulation results than does the GCS approximation at higher densities but the agreement is not quite as good as for the MPB approximation. Since the MSA is a linear response theory, it gives predictions only for small electrode charge. Nonetheless, the MSA is of value since it leads to analytic results. A simple extension of the MSA to higher electrode charges would be valuable.

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