Multiscale molecular simulations of the formation and structure of polyamide membranes created by interfacial polymerization

详细信息    查看全文

• 作者：J. Muscatello^a ; E.A. Mü ; ller^a ; ^{e.muller@imperial.ac.uk} ; A.A. Mostofi^b ; A.P. Sutton^c
• 刊名：Journal of Membrane Science
• 出版年：2017
• 出版时间：1 April 2017
• 年：2017
• 卷：527
• 期：Complete
• 页码：180-190
• 全文大小：1575 K
• 卷排序：527

文摘

Coarse-grained molecular simulations model the formation of polyamide membranes. Fully atomistic membranes configurations are rebuilt from the low-resolution model. Reported structures are consistent with experimental data. Model shows density variations, surface roughness and chemical inhomogeneities.