Influence of substitutional defects in ZIF-8 membranes on reverse osmosis desalination : a molecular dynamics study

• Main Authors: Hong, Terence Zhi Xiang, You, Liming, Dahanayaka, Madhavi, Law, Adrian Wing-Keung, Zhou, Kun
• Other Authors: School of Mechanical and Aerospace Engineering
• Format: Article
• Language: English
• Published: 2021
• Subjects: Engineering::Environmental engineering::Water treatment; Molecular Dynamics Simulation; Reverse Osmosis
• Online Access: https://hdl.handle.net/10356/152886
• Institution: Nanyang Technological University

In this study, molecular dynamics simulation is used to investigate the effects of water-based substitutional defects in zeolitic imidazolate frameworks (ZIF)-8 membranes on their reverse osmosis (RO) desalination performance. ZIF-8 unit cells containing up to three defect sites are used to construc...