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

• Published in: Condensed Matter Physics
• Date: 2013
• Main Authors: Druchok, M., Podlipnik, Č., Vlachy, V.
• Format: Article
• Language: English
• Published: Інститут фізики конденсованих систем НАН України 2013
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/120854
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: 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...