Migration of ionophores and salts through a water-chloroform liquid-liquid interface: Molecular dynamics-potential of mean force investigations

Journal of Physical Chemistry B

Volumn 102, Issue 1, 1998, Pages 245-256

  Lauterbach, M ^a   Engler, E ^a   Muzet, N ^a   Troxler, L ^a   Wipff, G ^a  

^a UNIVERSITÉ LOUIS PASTEUR   (France)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; INTERFACES (MATERIALS); IONS; MOLECULAR DYNAMICS; SALTS; SURFACE ACTIVE AGENTS;

CHLOROFORM; ION TRANSFER; IONOPHORE;

CHARGE TRANSFER;

EID: 0031649491     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp972939l     Document Type: Article

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150. n system at the water chloroform interface, simulated for 1 ns (Troxler, L.; Wipff, G. Anal. Sci. in press). With n = 1, the complex remained at interface during the whole simulation. With n = 6, a equilibrium situation was found where some complexes decomplexed, one was extracted to chloroform, and others remained at the interface.
151. 78
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