A molecular dynamics study of Al³⁺ in water: hydrolysis effects

• Published in: Condensed Matter Physics
• Date: 2004
• Main Authors: Druchok, M., Holovko, M., Bryk, T.
• Format: Article
• Language: English
• Published: Інститут фізики конденсованих систем НАН України 2004
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/119015
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: A molecular dynamics study of Al³⁺ in water: hydrolysis effects / M. Druchok, M. Holovko, T. Bryk // Condensed Matter Physics. — 2004. — Т. 7, № 4(40). — С. 699–707. — Бібліогр.: 23 назв. — англ.

A molecular dynamics study of Al³⁺ in water was performed. A flexible non-constrained central force model for water molecules was used. This permitted one to take into account a tendency of cation hydrolysis effects. We observed strict octahedral arrangement of neighbours in aluminium cation hyd...