In silico study of structure and water dynamics in CNT/polyamide nanocomposite reverse osmosis membranes

• Published in: Physical chemistry chemical physics : PCCP Vol. 22; no. 39; pp. 22324 - 22331
• Main Authors: Gu, Qi-an, Li, Ke, Li, Shanlong, Cui, Rui, Liu, Lifen, Yu, Chunyang, Wang, Yuling, Zhou, Yongfeng, Xiao, Guyu
• Format: Journal Article
• Language: English
• Published: Cambridge Royal Society of Chemistry 21.10.2020
• Subjects: Carbon nanotubes; Desalination; Dynamic structural analysis; Membranes; Molecular dynamics; Nanocomposites; Osmosis; Polyamide resins; Reverse osmosis; Simulation; Vertical orientation; Water chemistry

CNT-based reverse osmosis membranes have long been regarded as one of the most promising candidates for water desalination. However, it is a pity that there is no complete understanding of the exact role of CNTs in those nanocomposite membranes. To address this issue, three atomistic models of PA (p...