Monte Carlo simulations of mixtures involving ketones and aldehydes by a direct bubble pressure calculation

Journal of Physical Chemistry B

Volumn 114, Issue 26, 2010, Pages 8680-8688

  Ferrando, Nicolas ^a,b   Lachet, Véronique ^a   Boutin, Anne ^c  

^a IFP ENERGIES NOUVELLES   (France)

^b CNRS   (France)

^c ECOLE NORMALE SUPÉRIEURE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ACETONE; ALDEHYDES; ATOMS; COMPUTER SIMULATION; HYDROCARBONS; INDUSTRIAL APPLICATIONS; MONTE CARLO METHODS; OXYGEN; PHASE EQUILIBRIA; THERMODYNAMIC PROPERTIES;

BINARY INTERACTION PARAMETER; BUBBLE PRESSURE; CARBONYL OXYGEN; COMPLEX MIXTURE; DIRECT CALCULATION; FORCE FIELDS; GIBBS ENSEMBLE; LENNARD-JONES PARAMETERS; MOLECULAR SIMULATIONS; MONTE CARLO SIMULATION; MUTUAL SOLUBILITY; NONPOLAR BINARY MIXTURES; OXYGEN ATOM; PRESSURE COMPOSITIONS; PURE COMPOUNDS; SEPARATION PROCESS;

BINARY MIXTURES;

ALDEHYDE; KETONE;

ALGORITHM; CHEMISTRY; MONTE CARLO METHOD; PRESSURE;

ALDEHYDES; ALGORITHMS; KETONES; MONTE CARLO METHOD; PRESSURE;

EID: 77954333214     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp1031724     Document Type: Article

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