Structure of Spherical Electric Double Layers Containing Mixed Electrolytes: A Systematic Study by Monte Carlo Simulations and Density Functional Theory

2010 ◽  
Vol 114 (32) ◽  
pp. 10550-10557 ◽  
Author(s):  
Chandra N. Patra
Keyword(s):  
Density Functional Theory ◽  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Systematic Study ◽  
Density Functional ◽  
Double Layers ◽  
Mixed Electrolytes ◽  
Functional Theory ◽  
Electric Double Layers

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.

Structure of fully asymmetric mixed electrolytes around a charged nanoparticle: a density functional and simulation investigation

RSC Advances ◽  
2015 ◽  
Vol 5 (32) ◽  
pp. 25006-25013 ◽  
Author(s):  
Chandra N. Patra
Keyword(s):  
Density Functional Theory ◽  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Systematic Study ◽  
Density Functional ◽  
Charge Asymmetry ◽  
Mixed Electrolytes ◽  
Functional Theory ◽  
Arbitrary Size

A systematic study on the structure of mixed electrolytes with arbitrary size and charge asymmetry around a charged nanoparticle is carried out using density functional theory and Monte Carlo simulation.

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