Monte carlo simulation for the double layer structure of an ionic liquid using a dimer model: A comparison with the density functional theory

Journal of Physical Chemistry B

Volumn 116, Issue 34, 2012, Pages 10364-10370

  Bhuiyan, Lutful Bari ^a   Lamperski, Stanisław ^b   Wu, Jianzhong ^c   Henderson, Douglas ^d  

^a UNIVERSITY OF PUERTO RICO   (Puerto Rico)

^b ADAM MICKIEWICZ UNIVERSITY   (Poland)

^c University of California Riverside   (United States)

^d Brigham Young University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; ELECTROSTATICS; FORECASTING; IONIC LIQUIDS; MONTE CARLO METHODS; THERMODYNAMICS;

BJERRUM LENGTH; DENSITY FUNCTIONALS; DENSITY PROFILE; DIMER MODEL; DOUBLE LAYER STRUCTURE; DOUBLE LAYERS; ELECTRODE CHARGE; ELECTROSTATIC COUPLING; ELECTROSTATIC POTENTIALS; HARD SPHERES; IONIC DENSITIES; MONTE CARLO; MONTE CARLO SIMULATION; NONSPHERICAL SHAPES; POSITIVELY CHARGED; SIMULATION DATA; SPHERICAL PARTICLE; STRONG-COUPLING REGIME; THEORETICAL PREDICTION; THEORETICAL RESULT;

DENSITY FUNCTIONAL THEORY;

EID: 84865687836     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp304362y     Document Type: Article

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