A Holistic Approach for Elucidating Local Structure, Dynamics, and Speciation in Molten Salts with High Structural Disorder-Reference-Cited by-同舟云学术

A Holistic Approach for Elucidating Local Structure, Dynamics, and Speciation in Molten Salts with High Structural Disorder

Published:2021-09-09 Issue:37 Volume:143 Page:15298-15308
ISSN:0002-7863
Container-title:Journal of the American Chemical Society
language:en
Short-container-title:J. Am. Chem. Soc.

Author:

Roy Santanu¹^ORCID,Liu Yang²³,Topsakal Mehmet⁴,Dias Elaine⁴,Gakhar Ruchi⁵,Phillips William C.⁵,Wishart James F.³^ORCID,Leshchev Denis⁶,Halstenberg Phillip¹⁷,Dai Sheng¹⁷^ORCID,Gill Simerjeet K.⁴^ORCID,Frenkel Anatoly I.²³^ORCID,Bryantsev Vyacheslav S.¹^ORCID

Affiliation:

1. Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830, United States

2. Department of Materials Science and Chemical Engineering, Stony Brook University, Stony Brook, New York 11794, United States

3. Chemistry Division, Brookhaven National Laboratory, Upton, New York 11973, United States

4. Nuclear Science and Technology Department, Brookhaven National Laboratory, Upton, New York 11973, United States

5. Pyrochemistry and Molten Salt Systems Department, Idaho National Laboratory, Idaho Falls, Idaho 83415, United States

6. National Synchrotron Light Source II (NSLS-II), Brookhaven National Laboratory, Upton, New York 11973, United States

7. Department of Chemistry, University of Tennessee, Knoxville, Tennessee 37916, United States

Funder

U.S. Department of Energy

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

Link

https://pubs.acs.org/doi/pdf/10.1021/jacs.1c06742

Reference63 articles.

1. Lovering, D. G. Molten Salt Technology; Springer, 2014; pp 1–523.

2. Lantelme, F.; Groult, H. Molten Salts Chemistry: From Lab to Applications, 1st ed. Elsevier, 2013; pp 1–592.

3. Structure and dynamics of the molten alkali-chloride salts from an X-ray, simulation, and rate theory perspective

4. Insight into dynamic interaction of molten MgCl2-NaCl-KCl with impurity water via FPMD simulations

5. Composition-dependent microstructure evolution in liquid MgCl2-KCl: A first-principles molecular dynamics study

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