A molecular dynamics study into zeolitic imidazolate frameworks-based capacitive deionization electrodes for Mg²⁺ removal and seawater desalination

• Main Authors: Hong, Terence Zhi Xiang, Dahanayaka, Madhavi, Liu, Bo, Law, Adrian Wing-Keung, Zhou, Kun
• Other Authors: Interdisciplinary Graduate School (IGS)
• Format: Conference or Workshop Item
• Language: English
• Published: 2022
• Subjects: Engineering::Environmental engineering::Water treatment; Molecular Dynamics Simulation; Capacitive Deionization
• Online Access: https://hdl.handle.net/10356/155430
• Institution: Nanyang Technological University

In this study, molecular dynamics simulations are performed to study the surface interactions between the zeolitic imidazolate frameworks (ZIFs)-based capacitive deionization (CDI) electrodes with seawater and Mg2+ ions. Using the same organic linkers but different metal atoms to construct the elect...