A Monte Carlo simulation study of the ionic liquid 1-n-butyl-3- methylimidazolium hexafluorophosphate: Liquid structure, volumetric properties and infinite dilution solution thermodynamics of CO2

Fluid Phase Equilibria

Volumn 222-223, Issue , 2004, Pages 195-203

  Shah, Jindal K ^a   Maginn, Edward J ^a  

^a University of Notre Dame   (United States)

Author keywords

Forcefield; Gas absorption; Henry's constant; Ionic liquids; Molecular simulation; Monte Carlo

Indexed keywords

CARBON DIOXIDE; COMPUTER SIMULATION; ENTHALPY; FUNCTIONS; MONTE CARLO METHODS;

IONIC LIQUIDS; ISOTHERMAL COMPRESSIBILITY;

IONIZATION OF LIQUIDS;

1 N BUTYL 3 METHYLIMIDAZOLIUM HEXAFLUOROPHOSPHATE; CARBON DIOXIDE; IMIDAZOLE DERIVATIVE; UNCLASSIFIED DRUG;

EQUILIBRIUM; MATHEMATICAL ANALYSIS; MONTE CARLO SIMULATION;

ANALYSIS; ATOM; CALCULATION; CHEMICAL BOND; COMPARATIVE STUDY; COMPRESSIVE STRENGTH; CONFERENCE PAPER; CRYSTAL STRUCTURE; DENSITY; DILUTION; ENTHALPY; ENTROPY; FORCE; GAS PERMEABILITY; ISOTHERM; LIQUID CRYSTAL; MONTE CARLO METHOD; PROCESS DEVELOPMENT; SIMULATION; STRUCTURE ANALYSIS; SURFACE PROPERTY; THERMODYNAMICS; VOLUMETRY;

EID: 4344637840     PISSN: 03783812     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.fluid.2004.06.027     Document Type: Conference Paper

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