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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:
Sponsoring Org.:
USDOE
OSTI Identifier:
1440370
Grant/Contract Number:  
SC0001089
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics
Additional Journal Information:
Journal Name: Physical Chemistry Chemical Physics Journal Volume: 20 Journal Issue: 23; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

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 Kingdom: 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 Kingdom. 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 Kingdom. doi:10.1039/C8CP01944D.
@article{osti_1440370,
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 (AnO 2 n+ ), 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},
number = 23,
volume = 20,
place = {United Kingdom},
year = {Mon Jan 01 00:00:00 EST 2018},
month = {Mon Jan 01 00:00:00 EST 2018}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on May 25, 2019
Publisher's Accepted Manuscript

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Works referenced in this record:

Adsorption of uranyl onto ferric oxyhydroxides: Application of the surface complexation site-binding model
journal, September 1985