TY - JOUR
T1 - DFT-Based investigation of Amic–Acid extractants and their application to the recovery of Ni and Co from spent automotive Lithium–Ion batteries
AU - Hanada, Takafumi
AU - Seo, Kosuke
AU - Yoshida, Wataru
AU - Fajar, Adroit T.N.
AU - Goto, Masahiro
N1 - Funding Information:
This study was granted by the Environment Research and Technology Development Fund (Grant No. 3-2004) from the Ministry of the Environment of Japan. T. Hanada was supported by Research Fellowships of JSPS for Young Scientists (Grant No. 20 J20464). The authors appreciate Center of Advanced Instrumental Analysis and the Service Center of the Elementary Analysis of Organic Compounds, Kyushu University for helping the NMR measurement and the elemental analysis. We thank Sarah Dodds, PhD, from Edanz (https://jp.edanz.com/ac) for editing a draft of this manuscript.
Funding Information:
This study was granted by the Environment Research and Technology Development Fund ( Grant No. 3-2004 ) from the Ministry of the Environment of Japan. T. Hanada was supported by Research Fellowships of JSPS for Young Scientists ( Grant No. 20 J20464 ). The authors appreciate Center of Advanced Instrumental Analysis and the Service Center of the Elementary Analysis of Organic Compounds, Kyushu University for helping the NMR measurement and the elemental analysis. We thank Sarah Dodds, PhD, from Edanz (https://jp.edanz.com/ac) for editing a draft of this manuscript.
Publisher Copyright:
© 2021 Elsevier B.V.
PY - 2022/1/15
Y1 - 2022/1/15
N2 - To establish more efficient and environmentally friendly lithium-ion battery (LiB) recycling processes, novel extractants derived from amino acids that enable better separation of Ni and Co were explored using density functional theory (DFT) calculations. DFT calculations and experimental validation indicated that of the three coordination sites—namely amine, amide, and carboxyl groups in the amic-acid ligands—the bond strength of the central amine group to the metal determines the Ni and Co separation performance. Based on the findings, the glycine-derived amic-acid extractant N-[N,N-di(2-ethylhexyl)aminocarbonylmethyl]glycine (D2EHAG) was applied for the recovery of Ni and Co from a spent automotive LiB leachate. Preferential and mutual recovery of Ni and Co from manganese by the D2EHAG-based recycling process was demonstrated. This study provides insights into the design of extractants that enable the mutual separation of Ni, Co, and Mn, and indicates the suitability of amic-acid extractants for LiB recycling processes.
AB - To establish more efficient and environmentally friendly lithium-ion battery (LiB) recycling processes, novel extractants derived from amino acids that enable better separation of Ni and Co were explored using density functional theory (DFT) calculations. DFT calculations and experimental validation indicated that of the three coordination sites—namely amine, amide, and carboxyl groups in the amic-acid ligands—the bond strength of the central amine group to the metal determines the Ni and Co separation performance. Based on the findings, the glycine-derived amic-acid extractant N-[N,N-di(2-ethylhexyl)aminocarbonylmethyl]glycine (D2EHAG) was applied for the recovery of Ni and Co from a spent automotive LiB leachate. Preferential and mutual recovery of Ni and Co from manganese by the D2EHAG-based recycling process was demonstrated. This study provides insights into the design of extractants that enable the mutual separation of Ni, Co, and Mn, and indicates the suitability of amic-acid extractants for LiB recycling processes.
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U2 - 10.1016/j.seppur.2021.119898
DO - 10.1016/j.seppur.2021.119898
M3 - Article
AN - SCOPUS:85116893432
SN - 1383-5866
VL - 281
JO - Separation and Purification Technology
JF - Separation and Purification Technology
M1 - 119898
ER -
