Towards the quantitative prediction of the phase behavior of polymer solutions by computer simulation

Macromolecular Symposia

Volumn 278, Issue 1, 2009, Pages 1-9

  Binder, Kurt ^a   Mognetti, Bortolo Matteo ^a   Macdowell, Luis Gonzalez ^b   Oettel, Martin ^a   Paul, Wolfgang ^a   Virnau, Peter ^a   Yelash, Leonid ^a  

^a JOHANNES GUTENBERG UNIVERSITY   (Germany)

^b UNIVERSIDAD COMPLUTENSE DE MADRID   (Spain)

Author keywords

Carbon dioxide; Monte Carlo simulations; Polar fluids

Indexed keywords

AB-INITIO QUANTUM CHEMISTRY CALCULATIONS; ANALYTICAL CALCULATIONS; APPROXIMATE METHODS; ATOMISTIC MODELS; COARSE-GRAINED DESCRIPTIONS; COARSE-GRAINED MODELS; CONTROL PARAMETERS; CRITICAL POINTS; CRITICAL TEMPERATURES; DEGREES OF FREEDOMS; DENSITY FUNCTIONAL; EQUATION OF STATE; LENNARD-JONES INTERACTIONS; LENNARD-JONES PARAMETERS; LENNARD-JONES POTENTIALS; LIQUID-VAPOR TRANSITIONS; LORENTZ-BERTHELOT; MEAN FIELDS; MONTE CARLO CALCULATIONS; MONTE CARLO SIMULATIONS; PERTURBATION THEORY METHODS; POINT PARTICLES; POLAR FLUIDS; PURE CARBON DIOXIDES; QUADRUPOLAR INTERACTIONS; QUADRUPOLE MOMENTS; QUANTITATIVE PREDICTIONS; SOLVENT MODELS; SPRING CHAINS; SUPERCRITICAL CARBON DIOXIDES; TYPE METHODS; UN-MIXING;

BENZENE; CARBON DIOXIDE; CONTROL SYSTEM ANALYSIS; DENSITY FUNCTIONAL THEORY; DISSOLUTION; EQUATIONS OF STATE; FLUIDS; MONOMERS; OPTICAL RESOLVING POWER; PARAFFINS; PERTURBATION TECHNIQUES; PHASE DIAGRAMS; POLYMER SOLUTIONS; POLYMERS; SOLVENTS; SUPERCRITICAL FLUID EXTRACTION;

MONTE CARLO METHODS;

EID: 62349097303     PISSN: 10221360     EISSN: 15213900     Source Type: Journal    
DOI: 10.1002/masy.200950401     Document Type: Conference Paper

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