Free energy profiles for penetration of methane and water molecules into spherical sodium dodecyl sulfate micelles obtained using the thermodynamic integration method combined with molecular dynamics calculations

Journal of Chemical Physics

Volumn 136, Issue 1, 2012, Pages

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

^a NAGOYA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

COMMON FEATURES; DODECANE; ENERGY PROFILE; GOOD CORRELATIONS; HYDROPHOBIC CORE; HYDROPHOBIC EFFECT; HYDROPHOBIC GROUPS; MEAN FORCES; METHANE MOLECULES; MOLECULAR DYNAMICS CALCULATION; POSITIVE VALUE; REPULSIVE INTERACTIONS; SDS MICELLES; SODIUM DODECYL SULFATE MICELLES; SODIUM IONS; STABILIZING EFFECTS; SULFATE ION; SURFACE DIPOLE MOMENT; THERMODYNAMIC INTEGRATION METHODS; WATER MOLECULE; WATER PHASE;

BEHAVIORAL RESEARCH; DROPS; DYNAMICS; FREE ENERGY; HYDROGEN BONDS; HYDROPHOBICITY; METAL IONS; METHANE; MOLECULAR DYNAMICS; MOLECULES; SODIUM SULFATE; SOLVENTS; SULFUR COMPOUNDS;

MICELLES;

DODECYL SULFATE SODIUM; METHANE; WATER;

ARTICLE; CHEMISTRY; MICELLE; MOLECULAR DYNAMICS; THERMODYNAMICS;

METHANE; MICELLES; MOLECULAR DYNAMICS SIMULATION; SODIUM DODECYL SULFATE; THERMODYNAMICS; WATER;

EID: 84855527873     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3671997     Document Type: Article

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