Individual activity coefficients of a solvent primitive model electrolyte calculated from the inverse grand-canonical Monte Carlo simulation and MSA theory

Molecular Physics

Volumn 109, Issue 1, 2011, Pages 49-54

  Lamperski, S ^a   Pluciennik M ^a  

^a ADAM MICKIEWICZ UNIVERSITY   (Poland)

Author keywords

inverse grand canonical Monte Carlo technique; ionic activity coefficient; Marcus parameter; solvent primitive model

Indexed keywords

AQUEOUS ELECTROLYTE; CANONICAL MONTE CARLO; DIELECTRIC CONTINUUM; DISSOLVED SALT; ELECTROLYTE MODELS; EXPERIMENTAL DATA; FORM CLUSTERS; HARD SPHERES; INDIVIDUAL ACTIVITY COEFFICIENT; ION INFLUENCES; IONIC ACTIVITY COEFFICIENT; LINEAR CORRELATION; MARCUS PARAMETER; MEAN ACTIVITY COEFFICIENT; MOLECULAR SIMULATIONS; PRIMITIVE MODEL; SOLVENT MOLECULES; WATER MOLECULE;

ACTIVITY COEFFICIENTS; COMPUTER SIMULATION; ELECTROLYTES; IONS; MOLECULES; SOLVENTS;

MONTE CARLO METHODS;

EID: 79551535254     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2010.544264     Document Type: Article

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