Volumetric behavior and solution microstructure of methanol-water mixture in sub- and supercritical state via density measurement and MD simulation

Fluid Phase Equilibria

Volumn 302, Issue 1-2, 2011, Pages 55-59

  Ono, Takumi ^a   Kobayashi, Shunsuke ^a   Hoshina, Taka aki ^a   Sato, Yoshiyuki ^a   Inomata, Hiroshi ^a  

^a TOHOKU UNIVERSITY   (Japan)

Author keywords

Alcohol; Molecular dynamics simulation; Supercritical

Indexed keywords

AQUEOUS SOLUTIONS; COMPOSITION DEPENDENCE; EXCESS MOLAR VOLUMES; HIGH TEMPERATURE AND PRESSURE; INTERMOLECULAR INTERACTIONS; INTERNAL ENERGIES; LASER DOPPLER; MD SIMULATION; METHANOL-WATER MIXTURES; MICROSCOPIC VIEWPOINT; MOLECULAR DYNAMICS CALCULATION; MOLECULAR DYNAMICS SIMULATION; RADIAL DISTRIBUTION FUNCTIONS; SELF-DIFFUSION COEFFICIENTS; SOLUTION MICROSTRUCTURE; SUPER-CRITICAL; SUPERCRITICAL STATE; VIA DENSITY; VOLUMETRIC BEHAVIOR;

CHEMICAL ANALYSIS; DISTRIBUTION FUNCTIONS; METHANOL; MIXTURES; MOLECULAR MECHANICS; ORGANIC POLYMERS;

MOLECULAR DYNAMICS;

EID: 79952243548     PISSN: 03783812     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.fluid.2010.10.005     Document Type: Article

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