Temperature and pH driven association in uranyl aqueous solutions

• Published in: Condensed Matter Physics
• Date: 2012
• Main Authors: Druchok, M., Holovk, M.
• Format: Article
• Language: English
• Published: Інститут фізики конденсованих систем НАН України 2012
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/120306
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: Temperature and pH driven association in uranyl aqueous solutions / M. Druchok, M. Holovko // Condensed Matter Physics. — 2012. — Т. 15, № 4. — С. 43602:1-9. — Бібліогр.: 21 назв. — англ.

An association behavior of uranyl ions in aqueous solutions is explored. For this purpose a set of all-atom molecular dynamics simulations is performed. During the simulation, the fractions of uranyl ions involved in dimer and trimer formations were monitored. To accompany the fraction statistics on...