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

doi:10.1039/C8CP01944D

This content will become publicly available on May 25, 2019

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:

^[1];

^[2];

^[1]

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

Publication Date:: 2018-01-01

Sponsoring Org.:: USDOE

OSTI Identifier:: 1440370

Grant/Contract Number:: SC0001089

Resource Type:: 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.

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                    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.

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                    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.

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@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         = {2018},

  month        = {1}

}

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Journal Article:

Free Publicly Available Full Text

This content will become publicly available on May 25, 2019

Publisher's Version of Record

DOI: 10.1039/C8CP01944D

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