Interaction of the model alkyltrimethylammonium ions with alkali halide salts: an explicit water molecular dynamics study

• Veröffentlicht in: Condensed Matter Physics
• Datum: 2013
• Hauptverfasser: Druchok, M., Podlipnik, Č., Vlachy, V.
• Format: Artikel
• Sprache: Englisch
• Veröffentlicht: Інститут фізики конденсованих систем НАН України 2013
• Online Zugang: https://nasplib.isofts.kiev.ua/handle/123456789/120854
• Назва журналу: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Zitieren: Interaction of the model alkyltrimethylammonium ions with alkali halide salts: an explicit water molecular dynamics study / M. Druchok, Č. Podlipnik, V. Vlachy// Condensed Matter Physics. — 2013. — Т. 16, № 4. — С. 43603:1-10. — Бібліогр.: 32 назв. — англ.

We present an explicit water molecular dynamics simulation of dilute solutions of model alkyltrimethylammonium surfactant ions (number of methylene groups in the tail is 3, 5, 8, 10, and 12) in mixture with NaF, NaCl, NaBr, and NaI salts, respectively. The SPC/E model is used to describe water molec...