Adsorption/Desorption Hysteresis in Inkbottle Pores:  A Density Functional Theory and Monte Carlo Simulation Study

Langmuir ◽  
2004 ◽  
Vol 20 (10) ◽  
pp. 4289-4294 ◽  
Author(s):  
B. Libby ◽  
P. A. Monson
Keyword(s):  
Density Functional Theory ◽  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Simulation Study ◽  
Density Functional ◽  
Monte Carlo Simulation Study ◽  
Functional Theory ◽  
Desorption Hysteresis ◽  
Adsorption Desorption

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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