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Nanocellulose/graphene oxide layered membranes: Elucidating their behaviour during filtration of water and metal ions in real time
Stockholm University, Sweden.
Institute of Chemistry of Organometallic Compounds, Italy.
Stockholm University, Sweden.
Stockholm University, Sweden.
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2019 (English)In: Nanoscale, ISSN 2040-3364, E-ISSN 2040-3372, Vol. 11, no 46, p. 22413-22422Article in journal (Refereed) Published
Abstract [en]

The deposition of a thin layer of graphene oxide onto cellulose nanofibril membranes, to form CNF-GO layered-composite membranes, dramatically enhances their wet-mechanical stability, water flux and capacity to adsorb water pollutants (P. Liu, C. Zhu and A. P. Mathew, J. Hazard. Mater., 2019, 371, 484-493). In this work, we studied in real time the behavior of these layered membranes during filtration of water and metal ion solutions by means of in situ SAXS and reactive molecular dynamics (ReaxFF) computational simulations. SAXS confirms that the GO layers limit the swelling and structural deformations of CNFs during filtration of aqueous solutions. Moreover, during filtration of metal ion solutions, the connection of the CNF-GO network becomes highly complex mass-fractal like, with an increment in the correlation length. In addition, after ion adsorption, the SAXS data revealed apparent formation of nanoparticles during the drying stage and particle size increase as a function of time during drying. The molecular dynamics simulations, on the other hand, provide a deep insight into the assembly of both components, as well as elucidating the motion of the metal ions that potentially lead to the formation of metal clusters during adsorption, confirming the synergistic behavior of GO and CNFs for water purification applications.

Place, publisher, year, edition, pages
Royal Society of Chemistry , 2019. Vol. 11, no 46, p. 22413-22422
Keywords [en]
Cellulose, Composite membranes, Computational chemistry, Deposition, Graphene, Mechanical stability, Metal ions, Metals, Microfiltration, Molecular dynamics, Nanocellulose, Particle size, Water filtration, Water pollution, Computational simulation, Correlation lengths, Layered membranes, Metal ion solutions, Molecular dynamics simulations, Reactive molecular dynamics, Structural deformation, Water purification, Chemicals removal (water treatment)
National Category
Natural Sciences
Identifiers
URN: urn:nbn:se:ri:diva-42084DOI: 10.1039/c9nr07116dScopus ID: 2-s2.0-85075815026OAI: oai:DiVA.org:ri-42084DiVA, id: diva2:1379195
Note

Funding details: Vetenskapsrådet, VR; Funding details: Vetenskapsrådet, VR, H2020-MSCA-ITN-2014, 2017–04254, 676045; Funding text 1: The authors acknowledge the Swedish research council (VR, grant No: 2017–04254) and the MULTIMAT project (H2020-MSCA-ITN-2014, Grant No. 676045) for research funding. The authors also thank DESY, Hamburg, Germany, for the beam-time I-20170358 and beamline scientist Dr Wiebke Ohm for her support during the experiments. S. M. acknowledges the CINECA award, under the ISCRA initiative, for providing high-performance computing resources and support. S. M. is also grateful to the SCM group for suggestions and support (ADF/ ReaxFF program).

Available from: 2019-12-16 Created: 2019-12-16 Last updated: 2019-12-16Bibliographically approved

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