Determining oxidation states of transition metals in molten salt corrosion using electron energy loss spectroscopy

Kaustubh Bawane; Panayotis Manganaris; Yachun Wang; Jagadeesh Sure; Arthur Ronne; Phillip Halstenberg; Sheng Dai; Simerjeet K. Gill; Kotaro Sasaki; Yu chen Karen Chen-Wiegart; Ruchi Gakhar; Shannon Mahurin; Simon M. Pimblott; James F. Wishart; Lingfeng He

doi:10.1016/j.scriptamat.2021.113790

Determining oxidation states of transition metals in molten salt corrosion using electron energy loss spectroscopy

Kaustubh Bawane, Panayotis Manganaris, Yachun Wang, Jagadeesh Sure, Arthur Ronne, Phillip Halstenberg, Sheng Dai, Simerjeet K. Gill, Kotaro Sasaki, Yu chen Karen Chen-Wiegart, Ruchi Gakhar, Shannon Mahurin, Simon M. Pimblott, James F. Wishart, Lingfeng He

Research output: Contribution to journal › Article › peer-review

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Abstract

This work utilizes electron energy loss spectroscopy (EELS) to identify oxidation state of alloying elements in Ni-based alloys after exposure to molten chloride salt systems. Pure Ni and Ni-20Cr model alloy were corroded in molten ZnCl₂ and KCl-MgCl₂ under argon atmosphere at various temperatures. Oxidation states of Cr (Cr³⁺) and Ni (Ni²⁺) in the molten salt after corrosion were determined by monitoring changes in the L_2,3 edges of corresponding EELS spectra. Oxidation state mapping technique using principal component analysis and multiple linear least squares fitting in HyperSpy Python package was developed.

Original language	English
Article number	113790
Journal	Scripta Materialia
Volume	197
DOIs	https://doi.org/10.1016/j.scriptamat.2021.113790
State	Published - May 2021

Funding

This work was supported as part of the Molten Salts in Extreme Environments Energy Frontier Research Center, funded by the U.S. Department of Energy, Office of Science. Brookhaven National Laboratory, Idaho National Laboratory, and Oak Ridge National Laboratory are operated under DOE contracts DESC0012704, DE-AC07-05ID14517, and DE-AC05-00OR22725, respectively. The authors also acknowledge the U.S. Department of Energy, Office of Nuclear Energy under DOE Idaho Operations Office Contract DE-AC07-051D14517, for use of the resources as part of Nuclear Science User Facilities. This research used resources of the National Synchrotron Light Source II, a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Brookhaven National Laboratory under Contract No. DE-SC0012704. The authors thank Megha Dubey, Jatuporn Burns, Yaqiao Wu, and Kristi Moser-McIntire at the Center for Advanced Energy Studies, and Miles Cook, Jayson Bush, Jeffery Bailey, and JoAnn Merrill at Idaho National Laboratory for their invaluable assistance. This work was supported as part of the Molten Salts in Extreme Environments Energy Frontier Research Center, funded by the U.S. Department of Energy, Office of Science. Brookhaven National Laboratory, Idaho National Laboratory, and Oak Ridge National Laboratory are operated under DOE contracts DESC0012704, DE-AC07-05ID14517, and DE-AC05-00OR22725, respectively. The authors also acknowledge the U.S. Department of Energy, Office of Nuclear Energy under DOE Idaho Operations Office Contract DE-AC07-051D14517, for use of the resources as part of Nuclear Science User Facilities. This research used resources of the National Synchrotron Light Source II, a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Brookhaven National Laboratory under Contract No. DE-SC0012704. The authors thank Megha Dubey, Jatuporn Burns, Yaqiao Wu, and Kristi Moser-McIntire at the Center for Advanced Energy Studies, and Miles Cook, Jayson Bush, Jeffery Bailey, and JoAnn Merrill at Idaho National Laboratory for their invaluable assistance.

Keywords

Electron energy loss spectroscopy
Molten salt corrosion
Multiple linear least squares fitting
Oxidation state mapping
Principal component analysis

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10.1016/j.scriptamat.2021.113790

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Bawane, K., Manganaris, P., Wang, Y., Sure, J., Ronne, A., Halstenberg, P., Dai, S., Gill, S. K., Sasaki, K., Chen-Wiegart, Y. C. K., Gakhar, R., Mahurin, S., Pimblott, S. M., Wishart, J. F., & He, L. (2021). Determining oxidation states of transition metals in molten salt corrosion using electron energy loss spectroscopy. Scripta Materialia, 197, Article 113790. https://doi.org/10.1016/j.scriptamat.2021.113790

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title = "Determining oxidation states of transition metals in molten salt corrosion using electron energy loss spectroscopy",

abstract = "This work utilizes electron energy loss spectroscopy (EELS) to identify oxidation state of alloying elements in Ni-based alloys after exposure to molten chloride salt systems. Pure Ni and Ni-20Cr model alloy were corroded in molten ZnCl2 and KCl-MgCl2 under argon atmosphere at various temperatures. Oxidation states of Cr (Cr3+) and Ni (Ni2+) in the molten salt after corrosion were determined by monitoring changes in the L2,3 edges of corresponding EELS spectra. Oxidation state mapping technique using principal component analysis and multiple linear least squares fitting in HyperSpy Python package was developed.",

keywords = "Electron energy loss spectroscopy, Molten salt corrosion, Multiple linear least squares fitting, Oxidation state mapping, Principal component analysis",

author = "Kaustubh Bawane and Panayotis Manganaris and Yachun Wang and Jagadeesh Sure and Arthur Ronne and Phillip Halstenberg and Sheng Dai and Gill, {Simerjeet K.} and Kotaro Sasaki and Chen-Wiegart, {Yu chen Karen} and Ruchi Gakhar and Shannon Mahurin and Pimblott, {Simon M.} and Wishart, {James F.} and Lingfeng He",

note = "Publisher Copyright: {\textcopyright} 2021",

year = "2021",

month = may,

doi = "10.1016/j.scriptamat.2021.113790",

language = "English",

volume = "197",

journal = "Scripta Materialia",

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Bawane, K, Manganaris, P, Wang, Y, Sure, J, Ronne, A, Halstenberg, P , Dai, S, Gill, SK, Sasaki, K, Chen-Wiegart, YCK, Gakhar, R, Mahurin, S, Pimblott, SM, Wishart, JF & He, L 2021, 'Determining oxidation states of transition metals in molten salt corrosion using electron energy loss spectroscopy', Scripta Materialia, vol. 197, 113790. https://doi.org/10.1016/j.scriptamat.2021.113790

TY - JOUR

T1 - Determining oxidation states of transition metals in molten salt corrosion using electron energy loss spectroscopy

AU - Bawane, Kaustubh

AU - Manganaris, Panayotis

AU - Wang, Yachun

AU - Sure, Jagadeesh

AU - Ronne, Arthur

AU - Halstenberg, Phillip

AU - Dai, Sheng

AU - Gill, Simerjeet K.

AU - Sasaki, Kotaro

AU - Chen-Wiegart, Yu chen Karen

AU - Gakhar, Ruchi

AU - Mahurin, Shannon

AU - Pimblott, Simon M.

AU - Wishart, James F.

AU - He, Lingfeng

PY - 2021/5

Y1 - 2021/5

N2 - This work utilizes electron energy loss spectroscopy (EELS) to identify oxidation state of alloying elements in Ni-based alloys after exposure to molten chloride salt systems. Pure Ni and Ni-20Cr model alloy were corroded in molten ZnCl2 and KCl-MgCl2 under argon atmosphere at various temperatures. Oxidation states of Cr (Cr3+) and Ni (Ni2+) in the molten salt after corrosion were determined by monitoring changes in the L2,3 edges of corresponding EELS spectra. Oxidation state mapping technique using principal component analysis and multiple linear least squares fitting in HyperSpy Python package was developed.

AB - This work utilizes electron energy loss spectroscopy (EELS) to identify oxidation state of alloying elements in Ni-based alloys after exposure to molten chloride salt systems. Pure Ni and Ni-20Cr model alloy were corroded in molten ZnCl2 and KCl-MgCl2 under argon atmosphere at various temperatures. Oxidation states of Cr (Cr3+) and Ni (Ni2+) in the molten salt after corrosion were determined by monitoring changes in the L2,3 edges of corresponding EELS spectra. Oxidation state mapping technique using principal component analysis and multiple linear least squares fitting in HyperSpy Python package was developed.

KW - Electron energy loss spectroscopy

KW - Molten salt corrosion

KW - Multiple linear least squares fitting

KW - Oxidation state mapping

KW - Principal component analysis

UR - http://www.scopus.com/inward/record.url?scp=85101299823&partnerID=8YFLogxK

U2 - 10.1016/j.scriptamat.2021.113790

DO - 10.1016/j.scriptamat.2021.113790

M3 - Article

AN - SCOPUS:85101299823

SN - 1359-6462

VL - 197

JO - Scripta Materialia

JF - Scripta Materialia

M1 - 113790

ER -

Determining oxidation states of transition metals in molten salt corrosion using electron energy loss spectroscopy

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Keywords

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