First-principles molecular dynamics simulations of UCln–MgCl2 (n = 3, 4) molten salts-Reference-Cited by-同舟云学术

First-principles molecular dynamics simulations of UCl_n–MgCl₂ (n = 3, 4) molten salts

Published:2022 Issue:39 Volume:24 Page:24281-24289
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Li Bo¹,Dai Sheng²³^ORCID,Jiang De-en⁴^ORCID

Affiliation:

1. Department of Chemistry, University of California, Riverside, California 92521, USA

2. Department of Chemistry, University of Tennessee, Knoxville, Tennessee 37996, USA

3. Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA

4. Department of Chemical and Biomolecular Engineering, Vanderbilt University, Nashville, Tennessee 37235, USA

Abstract

First principles molecular dynamics reveals how Mg2+ influences Cl coordination around U and the U–Cl network in UCln–MgCl2 (n = 3,4).

Funder

Nuclear Energy University Programs

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D2CP02417A

Reference39 articles.

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3. Oak Ridge National Laboratory Report for the US Department of Energy, Office of Nuclear Energy Workshop - Molten Salt Chemistry Workshop; Oak Ridge National Laboratory: Oak Ridge, TN, April 10–12, 2017

4. Molten salts and nuclear energy production

5. Molten-Salt Reactor Chemistry

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