Comparison of molecular models used in molecular dynamics simulation for tracer diffusion coefficients of naphthalene and dimethylnaphthalene isomers in supercritical carbon dioxide

Fluid Phase Equilibria

Volumn 234, Issue 1-2, 2005, Pages 51-55

  Higashi, Hidenori ^a   Iwai, Yoshio ^b   Arai, Yasuhiko ^b  

^a KANAZAWA UNIVERSITY   (Japan)

^b KYUSHU UNIVERSITY   (Japan)

Author keywords

Diffusion coefficient; Molecular model; Molecular simulation; Supercritical carbon dioxide

Indexed keywords

CARBON DIOXIDE; COMPUTER SIMULATION; DIFFUSION; ISOMERS; MATHEMATICAL MODELS; NAPHTHALENE; SUPERCRITICAL FLUIDS;

DIFFUSION COEFFICIENTS; DIMETHYLNAPHTHALENE ISOMERS; INTERACTION PARAMETERS; LENNARD-JONES (LJ) MOLECULES;

MOLECULAR DYNAMICS;

POLYMER SCIENCE;

EID: 33748943802     PISSN: 03783812     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.fluid.2005.05.013     Document Type: Article

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