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

Abstract

Actinyl ions (AnO 2 n+), the form in which actinides are commonly found in aqueous solution, are important species in the nuclear fuel cycle.

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [1]
  1. Department of Chemical and Biomolecular Engineering; University of Notre Dame; Notre Dame; USA
  2. Dave C. Swalm School of Chemical Engineering; Mississippi State University; Mississippi State; USA
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Materials Science of Actinides (MSA)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1470654
DOE Contract Number:  
SC0001089
Resource Type:
Journal Article
Journal Name:
Physical Chemistry Chemical Physics. PCCP (Print)
Additional Journal Information:
Journal Volume: 20; Journal 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; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
nuclear (including radiation effects), materials and chemistry by design, synthesis (novel materials), synthesis (self-assembly)

Citation Formats

Newcomb, Ken, Tiwari, Surya Prakash, Rai, Neeraj, and Maginn, Edward J. A molecular dynamics investigation of actinyl–ligand speciation in aqueous solution. United States: N. p., 2018. Web. doi:10.1039/C8CP01944D.
Newcomb, Ken, Tiwari, Surya Prakash, Rai, Neeraj, & Maginn, Edward J. A molecular dynamics investigation of actinyl–ligand speciation in aqueous solution. United States. doi:10.1039/C8CP01944D.
Newcomb, Ken, Tiwari, Surya Prakash, Rai, Neeraj, and Maginn, Edward J. Mon . "A molecular dynamics investigation of actinyl–ligand speciation in aqueous solution". United States. doi:10.1039/C8CP01944D.
@article{osti_1470654,
title = {A molecular dynamics investigation of actinyl–ligand speciation in aqueous solution},
author = {Newcomb, Ken and Tiwari, Surya Prakash and Rai, Neeraj and Maginn, Edward J.},
abstractNote = {Actinyl ions (AnO2n+), the form in which actinides are commonly found in aqueous solution, are important species in the nuclear fuel cycle.},
doi = {10.1039/C8CP01944D},
journal = {Physical Chemistry Chemical Physics. PCCP (Print)},
issn = {1463-9076},
number = 23,
volume = 20,
place = {United States},
year = {2018},
month = {1}
}

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