Temperature and pH driven association in uranyl aqueous solutions

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...

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Bibliographic Details
Main Authors: M. Druchok, M. Holovko
Format: Article
Language:English
Published: Institute for Condensed Matter Physics 2012-12-01
Series:Condensed Matter Physics
Subjects:
pH
Online Access:http://dx.doi.org/10.5488/CMP.15.43602