Molecular dynamics study of solubilization of immiscible solutes by a micelle: Free energy of transfer of alkanes from water to the micelle core by thermodynamic integration method

Journal of Chemical Physics

Volumn 133, Issue 7, 2010, Pages

  Fujimoto, K ^a   Yoshii, N ^b   Okazaki, S ^a  

^a NAGOYA UNIVERSITY   (Japan)

^b HIMEJI DOKKYO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ALKANE MOLECULES; CARBON ATOMS; HYDROPHOBIC SOLUTES; METHYLENE GROUPS; MICELLE CONCENTRATIONS; MOLECULAR DYNAMICS CALCULATION; N-OCTANES; SODIUM DODECYL SULFATE MICELLES; THERMODYNAMIC INTEGRATION METHODS; WATER PHASE;

CRITICAL MICELLE CONCENTRATION; FREE ENERGY; METHANE; MOLECULAR DYNAMICS; PARAFFINS; SODIUM; SODIUM SULFATE; THERMODYNAMICS;

MICELLES;

ALKANE; WATER;

ARTICLE; CHEMISTRY; MICELLE; MOLECULAR DYNAMICS; SOLUBILITY; THERMODYNAMICS;

ALKANES; MICELLES; MOLECULAR DYNAMICS SIMULATION; SOLUBILITY; THERMODYNAMICS; WATER;

EID: 77956084067     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3469772     Document Type: Article

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