A molecular dynamics study of Al<sup>3+</sup> in water: hydrolysis effects

A molecular dynamics study of Al<sup>3+</sup> in water: hydrolysis effects

A molecular dynamics study of Al<sup>3+</sup> 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 a...

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Bibliographic Details
Main Authors:	M.Druchok, M.Holovko, T.Bryk
Format:	Article
Language:	English
Published:	Institute for Condensed Matter Physics 2004-01-01
Series:	Condensed Matter Physics
Subjects:	molecular dynamics hydration structure cation hydrolysis
Online Access:	http://dx.doi.org/10.5488/CMP.7.4.699

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