SAFT-γ force field for the simulation of molecular fluids: 8. Hetero-segmented coarse-grained models of perfluoroalkylalkanes assessed with new vapour–liquid interfacial tension data

Molecular Physics

Volumn 114, Issue 18, 2016, Pages 2597-2614

  Morgado, Pedro ^a   Lobanova, Olga ^b   Müller, Erich A ^b   Jackson, George ^b   Almeida, Miguel ^a   Filipe, Eduardo J M ^a  

^a INSTITUTO SUPERIOR TÉCNICO   (Portugal)

^b IMPERIAL COLLEGE LONDON   (United Kingdom)

Author keywords

coarse graining; interfacial properties; intermolecular potential; Molecular simulation

Indexed keywords

LIQUIDS; MOLECULAR DYNAMICS; MOLECULES; SURFACE TENSION; TEMPERATURE DISTRIBUTION;

COARSE GRAINING; DIRECT MOLECULAR DYNAMICS; INTERFACIAL PROPERTY; INTERMOLECULAR POTENTIALS; MOLECULAR SIMULATIONS; QUANTITATIVE AGREEMENT; TEMPERATURE DEPENDENCE; WIDE TEMPERATURE RANGES;

TEMPERATURE;

EID: 84984924374     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2016.1218077     Document Type: Article

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