Published 2007 | Version v1
Journal article Metadata-only

An investigation of hydration and hydrolysis effects in uranyl aqueous solutions

Creators

  • 1. Yinstitut fyiziki kondensovanikh sistem, L'vyiv (Ukraine)

Description

A model for uranyl aqueous solution is proposed. In the framework of this model a molecular dynamics simulation is performed and structural as well as dynamic properties of uranyl and its hydration shell are investigated. The utilization of non-rigid central force model for water allowed one to describe water hydrolysis caused by uranyl and to take into account the effects of charge redistribution on products of hydrolysis reaction

Additional details

Additional titles

Original title (Ukrainian)
Doslyidzhennya efektyiv gyidratatsyiyi ta gyidrolyizu u vodnikh rozchinakh uranyilu

Publishing Information

Journal Title
Problemi Bezpeki Atomnikh Elektrostantsyij yi Chornobilya
Journal Volume
8
Journal Page Range
p. 125-131
ISSN
1813-3584

INIS

Country of Publication
Ukraine
Country of Input or Organization
Ukraine
INIS RN
39030553
Subject category
S38: RADIATION CHEMISTRY, RADIOCHEMISTRY AND NUCLEAR CHEMISTRY;
Descriptors DEI
AQUEOUS SOLUTIONS; HYDRATION; HYDROLYSIS; INTERACTIONS; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; PARTICLES; URANYL COMPLEXES
Descriptors DEC
ACTINIDE COMPLEXES; CHEMICAL REACTIONS; COMPLEXES; DECOMPOSITION; DISPERSIONS; HOMOGENEOUS MIXTURES; LYSIS; MIXTURES; SOLUTIONS; SOLVATION; SOLVOLYSIS; URANIUM COMPLEXES