Molecular Solvent Model of Spherical Electric Double Layers: A Systematic Study by Monte Carlo Simulations and Density Functional Theory

2009 ◽  
Vol 113 (42) ◽  
pp. 13980-13987 ◽  
Author(s):  
Chandra N. Patra
Keyword(s):  
Density Functional Theory ◽  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Systematic Study ◽  
Density Functional ◽  
Double Layers ◽  
Functional Theory ◽  
Electric Double Layers ◽  
Solvent Model

scholarly journals Size and charge correlations in spherical electric double layers: a case study with fully asymmetric mixed electrolytes within the solvent primitive model

RSC Advances ◽  
2020 ◽  
Vol 10 (64) ◽  
pp. 39017-39025
Author(s):  
Chandra N. Patra
Keyword(s):  
Density Functional Theory ◽  
Monte Carlo ◽  
Density Functional ◽  
Double Layers ◽  
Mixed Electrolytes ◽  
Functional Theory ◽  
Electric Double Layers ◽  
Primitive Model ◽  
Charge Correlations

Size and charge correlations in spherical electric double layers are investigated through Monte Carlo simulations and density functional theory, through a solvent primitive model representation.

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