2D CuBDC and IRMOF-1 as reverse osmosis membranes for seawater desalination: a molecular dynamics study

• Main Authors: Hong, Terence Zhi Xiang, Kieu, Hieu Trung, You, Liming, Zheng, Han, Law, Adrian Wing-Keung, Zhou, Kun
• Other Authors: Interdisciplinary Graduate School (IGS)
• Format: Article
• Language: English
• Published: 2022
• Subjects: Engineering::Environmental engineering; Molecular Dynamics Simulation; Reverse Osmosis
• Online Access: https://hdl.handle.net/10356/163456
• Institution: Nanyang Technological University

In this study, molecular dynamics simulation is conducted to evaluate the performance of CuBDC and IRMOF-1 metal–organic frameworks (MOFs) as 2D membranes in the reverse osmosis (RO) desalination process. Both 2D MOF membranes possess the same 1,4-benzenedicarboxylate linkers but different metal nod...