A molecular dynamics investigation of actinyl–ligand speciation in aqueous solution

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

doi:10.1039/C8CP01944D

Title: A molecular dynamics investigation of actinyl–ligand speciation in aqueous solution

Journal Article · Mon Jan 01 00:00:00 EST 2018 · Physical Chemistry Chemical Physics. PCCP (Print)

DOI:https://doi.org/10.1039/C8CP01944D· OSTI ID:1470654

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

Actinyl ions (AnO₂ⁿ⁺), the form in which actinides are commonly found in aqueous solution, are important species in the nuclear fuel cycle.

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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:: 1470654

Journal Information:: Physical Chemistry Chemical Physics. PCCP (Print), Vol. 20, Issue 23; 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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