A molecular dynamics investigation of actinyl–ligand speciation in aqueous solution
Author:
Affiliation:
1. Department of Chemical and Biomolecular Engineering
2. University of Notre Dame
3. Notre Dame
4. USA
5. Dave C. Swalm School of Chemical Engineering
6. Mississippi State University
7. Mississippi State
Abstract
Actinyl ions (AnO2n+), the form in which actinides are commonly found in aqueous solution, are important species in the nuclear fuel cycle.
Funder
Office of Science
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2018/CP/C8CP01944D
Reference72 articles.
1. A. E. Martell and R. D.Hancock , Metal Complexes in Aqueous Solutions , Springer Science & Business Media , 2013
2. Ligand design for selective complexation of metal ions in aqueous solution
3. Predicting Stability Constants for Uranyl Complexes Using Density Functional Theory
4. Uranyl−Peroxide Interactions Favor Nanocluster Self-Assembly
5. Coordination of the Neptunyl Ion with Carbonate Ions and Water: A Theoretical Study
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