Journal
JOURNAL OF MEMBRANE SCIENCE
Volume 458, Issue -, Pages 236-244Publisher
ELSEVIER
DOI: 10.1016/j.memsci.2014.01.054
Keywords
Molecular dynamics simulations; Polyamide; Reverse-osmosis; Water
Categories
Funding
- Conseil regional de Bretagne
- Agence Nationale de la Recherche [ANR 2011 BS09 002]
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Molecular dynamics simulations were carried out to investigate both the structural and dynamical properties of water trapped inside a highly cross-linked polyamide RO membrane. The heterogeneous structure of the membrane was characterized through local water density and cavity size distributions. Interactions between water molecules and the polyamide membrane were investigated. Water structure and dynamics were explored and correlated with the heterogeneous distribution of the free volumes inside the membrane. (C) 2014 Elsevier B.V. All rights reserved
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