scholarly journals Vapour–liquid interfacial properties of square-well chains from density functional theory and Monte Carlo simulation

2017 ◽  
Vol 19 (19) ◽  
pp. 12296-12309 ◽  
Author(s):  
Francisco José Martínez-Ruiz ◽  
Felipe J. Blas ◽  
A. Ignacio Moreno-Ventas Bravo ◽  
José Manuel Míguez ◽  
Luis G. MacDowell
Keyword(s):  
Density Functional Theory ◽  
Surface Tension ◽  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Density Functional ◽  
Liquid Surface ◽  
Interfacial Properties ◽  
Functional Theory ◽  
Liquid Surface Tension ◽  
Square Well

Vapour–liquid surface tension for tangent (open symbols) and vibrating (filled symbols) square-well chains.

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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