Dynamics of actinyl ions in water: a molecular dynamics simulation study

Tiwari, Surya Prakash; Rai, Neeraj; Maginn, Edward J.

doi:10.1039/C3CP54556C

Title: Dynamics of actinyl ions in water: a molecular dynamics simulation study

Journal Article · Wed Jan 01 00:00:00 EST 2014 · Physical Chemistry Chemical Physics. PCCP (Print)

DOI:https://doi.org/10.1039/C3CP54556C· OSTI ID:1385700

Tiwari, Surya Prakash ^[1]; Rai, Neeraj ^[2]; Maginn, Edward J. ^[1]

Department of Chemical and Biomolecular Engineering; University of Notre Dame; Notre Dame, USA
Department of Chemical and Biomolecular Engineering; University of Notre Dame; Notre Dame, USA; Dave C. Swalm School of Chemical Engineering; Mississippi State University

The dynamics of actinyl ions (AnO₂ⁿ⁺) in aqueous solutions is important not only for the design of advanced separation processes but also for understanding the fate of actinides in the environment.

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Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Materials Science of Actinides (MSA)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

DOE Contract Number:: SC0001089

OSTI ID:: 1385700

Journal Information:: Physical Chemistry Chemical Physics. PCCP (Print), Vol. 16, Issue 17; Related Information: MSA partners with University of Notre Dame (lead); University of California, Davis; Florida State University; George Washington University; University of Michigan; University of Minnesota; Oak Ridge National Laboratory; Oregon state University; Rensselaer Polytechnic Institute; Savannah River National Laboratory; ISSN 1463-9076

Publisher:: Royal Society of Chemistry

Country of Publication:: United States

Language:: English

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