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Volumn 105, Issue 45, 2001, Pages 11131-11141

TBP at the water - Oil interface: The effect of TBP concentration and water acidity investigated by molecular dynamics simulations

Author keywords

[No Author keywords available]

Indexed keywords

WATER-OIL INTERFACE;

EID: 0035892178     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp011890n     Document Type: Article
Times cited : (131)

References (92)
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    • and references therein
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    • Beudaert, P. Thesis, Université Louis Pasteur de Strasbourg, 1998.
    • (1998)
    • Beudaert, P.1
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    • 0011389489 scopus 로고    scopus 로고
    • Université Louis Pasteur, Strasbourg, 2000
    • Berny, F. Université Louis Pasteur, Strasbourg, 2000.
    • Berny, F.1
  • 55
    • 0011478973 scopus 로고    scopus 로고
    • note
    • 66 Thus, initially, the ionic species were more randomized than in the D simulation. After 1 ns, this led to similar statitics and features as simulation D, indicating that sampling in both cases is satisfactory. This is why we did not perform "demixing simulations" on system D. The major difference comes from some acid species which remained trapped in chloroform because they were initially too far from the interface (i.e. beyond the cutoff distance) to "see" and interact with water molecules.
  • 66
    • 0011435418 scopus 로고    scopus 로고
    • Thesis, Université Louis Pasteur Strasbourg
    • Baaden, M. Thesis, Université Louis Pasteur Strasbourg, 2000.
    • (2000)
    • Baaden, M.1
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    • (a) Hynes, J.T. Nature 1999, 397, 565-566.
    • (1999) Nature , vol.397 , pp. 565-566
    • Hynes, J.T.1
  • 83
    • 0011481460 scopus 로고    scopus 로고
    • Thesis. Université Louis Pasteur, Strasbourg
    • + ions on the aqueous side of the interface via hydrogen bonding. (Berny, F. Thesis. Université Louis Pasteur, Strasbourg, 2000).
    • (2000)
    • Berny, F.1
  • 84
    • 0004124695 scopus 로고    scopus 로고
    • Echegoyen, L., Kaifer, A., Eds.; Kluwer Academic Publishers: Dordrecht, 199
    • Lauterbach, M.; Wipff, G. In Physical Supramolecular Chemistry; Echegoyen, L., Kaifer, A., Eds.; Kluwer Academic Publishers: Dordrecht, 199; pp 65-102.
    • Physical Supramolecular Chemistry , pp. 65-102
    • Lauterbach, M.1    Wipff, G.2
  • 88
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    • Bard, A.J., Ed.; Dekker: New York, and references therein
    • Girault, H.H.; Schiffrin, D.J. In Electroanalytical Chemistry; Bard, A.J., Ed.; Dekker: New York, 1989; pp 1-141 and references therein.
    • (1989) Electroanalytical Chemistry , pp. 1-141
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    • Sandifer, J.R., Ed.; VCH: New York
    • Koryta, J. In Ion-Transfer Kinetics; Sandifer, J.R., Ed.; VCH: New York, 1995; p 1.
    • (1995) Ion-Transfer Kinetics , pp. 1
    • Koryta, J.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.