Classical force field for hydrofluorocarbon molecular simulations. Application to the study of gas solubility in poly(vinylidene fluoride)

Journal of Physical Chemistry A

Volumn 119, Issue 1, 2015, Pages 140-151

  Lachet, V ^a   Teuler, J M ^b   Rousseau, B ^b  

^a IFP ENERGIES NOUVELLES   (France)

^b UNIVERSITÉ PARIS SUD   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON DIOXIDE; FLUORINE COMPOUNDS; FLUOROCARBONS; INTELLIGENT SYSTEMS; ITERATIVE METHODS; LIQUIDS; MIXTURES; MOLECULAR STRUCTURE; SOLUBILITY; THERMODYNAMIC PROPERTIES;

CLASSICAL FORCE FIELDS; COMPRESSED LIQUID DENSITIES; HYBRID MONTE CARLO SIMULATIONS; MOLECULAR SIMULATIONS; POLY (VINYLIDENE FLUORIDE)(PVDF); POLY(VINYLIDENE FLUORIDE); SOLUBILITY DETERMINATION; TEST-PARTICLE INSERTION;

MONTE CARLO METHODS;

EID: 84920733231     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp506895p     Document Type: Article

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