Molecular simulation of aqueous electrolyte solubility. 3. alkali-halide salts and their mixtures in water and in hydrochloric acid

Journal of Physical Chemistry B

Volumn 116, Issue 18, 2012, Pages 5468-5478

  Moucča, Filip ^a,b   Lísal, Martin ^b,c   Smith, William R ^a  

^a UNIVERSITY OF ONTARIO INSTITUTE OF TECHNOLOGY   (Canada)

^b Department of Physics   (United States)

^c INSTITUTE OF CHEMICAL PROCESS FUNDAMENTALS   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

ALKALI HALIDES; CHEMICAL POTENTIAL; COMPUTER SIMULATION; ELECTROLYTES; HYDRATES; HYDROCHLORIC ACID; MOLECULAR STRUCTURE; SOLUBILITY;

AQUEOUS CONCENTRATIONS; AQUEOUS ELECTROLYTE; AQUEOUS SOLUBILITY; CANONICAL ENSEMBLE; CRYSTALLINE SOLIDS; FIXED NUMBERS; INVARIANT POINTS; LIMITING VALUES; MIXED ELECTROLYTE; MIXED ELECTROLYTE SOLUTIONS; MOLECULAR SIMULATIONS; MONTE CARLO; REASONABLE ACCURACY; REFERENCE STATE; SELECTED EXAMPLES; SIMULTANEOUS PRECIPITATION; SOLID-PHASE; SOLUTION PHASE; SOLVENT MOLECULES;

MONTE CARLO METHODS;

EID: 84861029012     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp301447z     Document Type: Article

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