Coarse-grained models for fluids and their mixtures: Comparison of Monte Carlo studies of their phase behavior with perturbation theory and experiment

Journal of Chemical Physics

Volumn 130, Issue 4, 2009, Pages

  Mognetti, B M ^a   Virnau, P ^a   Yelash, L ^a   Paul, W ^a   Binder, K ^a   Muller M ^b   MacDowell, L G ^c  

^a JOHANNES GUTENBERG UNIVERSITY   (Germany)

^b UNIVERSITY OF GÖTTINGEN   (Germany)

^c UNIVERSIDAD COMPLUTENSE DE MADRID   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

BENZENE; CARBON DIOXIDE; EQUATIONS OF STATE; EQUATIONS OF STATE OF GASES; EXPERIMENTS; HYDROCARBONS; INERT GASES; LARGE SCALE SYSTEMS; METHANE; MIXTURES; MOLECULES; OXIDES; PARAFFINS; PERTURBATION TECHNIQUES; PHASE DIAGRAMS; POINT GROUPS; POLYMER SOLUTIONS; POLYMERS; PROGRAMMING THEORY; SOLVENTS; VAPORS;

ALKANE CHAINS; ANALYTIC APPROXIMATIONS; ANALYTICAL APPROXIMATIONS; CANONICAL ENSEMBLES; COARSE-GRAINED MODELS; COMBINING RULES; COMPUTATIONAL COSTS; CRITICAL POINTS; EQUATION OF STATE; EXPERIMENTAL DATUM; FINITE-SIZE SCALING; LENNARD-JONES POTENTIALS; LIQUID-VAPOR PHASE DIAGRAMS; LORENTZ-BERTHELOT; MONTE CARLO; MONTE CARLO SIMULATIONS; MONTE CARLO STUDIES; NOBLE GAS; PERTURBATION THEORIES; POINT PARTICLES; POLAR SOLVENTS; PREDICTIVE MODELING; PURE FLUIDS; QUADRUPOLAR INTERACTIONS; QUADRUPOLE; QUADRUPOLE INTERACTIONS; SIMPLE FLUIDS; SIMULATION RESULTS; SMALL MOLECULES; THERMODYNAMIC PERTURBATION THEORIES; UMBRELLA SAMPLINGS; VAPOR LIQUIDS;

MONTE CARLO METHODS;

EID: 59349113578     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3050353     Document Type: Article

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