Molecular dynamics study into lithium-ion recovery from battery wastewater using flow capacitive deionization and a ZIF-8-coated cation exchange membrane

• Main Authors: Hong, Terence Zhi Xiang, Tang, Kexin, You, Liming, Chen, Taoqin, Kieu, Hieu Trung, Snyder, Shane Allen, Zhou, Kun
• Other Authors: School of Civil and Environmental Engineering
• Format: Article
• Language: English
• Published: 2024
• Subjects: Engineering; Molecular dynamics simulation; Flow-electrode capacitive deionization
• Online Access: https://hdl.handle.net/10356/180898
• Institution: Nanyang Technological University

Molecular dynamics (MD) simulations are conducted to assess the Li recovery performance of three zeolitic imidazolate frameworks (ZIFs) employed as selective layers in cation exchange membranes (CEMs) for flow capacitive deionization (FCDI). The three ZIFs (ZIF-8, ZIF-8-Cl, and ZIF-8-Br) share a com...