Please use this identifier to cite or link to this item: https://hdl.handle.net/10356/159325
Title: Mechanistic understanding of the adsorption of natural organic matter by heated aluminum oxide particles (HAOPs) via molecular dynamics simulation
Authors: Ma, Yunqiao
Velioğlu, Sadiye
Tanis-Kanbur, Melike Begum
Wang, Rong
Chew, Jia Wei
Keywords: Engineering::Chemical engineering
Issue Date: 2020
Source: Ma, Y., Velioğlu, S., Tanis-Kanbur, M. B., Wang, R. & Chew, J. W. (2020). Mechanistic understanding of the adsorption of natural organic matter by heated aluminum oxide particles (HAOPs) via molecular dynamics simulation. Journal of Membrane Science, 598, 117651-. https://dx.doi.org/10.1016/j.memsci.2019.117651
Project: 1601-CRPW-T20 
Journal: Journal of Membrane Science
Abstract: Membrane fouling caused by natural organic matter (NOM) in water is a pressing problem. To address this, heated aluminum oxide particles (HAOPs) have been used as dynamic membranes pre-deposited onto the primary membrane to effectively remove NOM and thereby significantly diminish the fouling potential. An in-depth understanding of the mechanisms underlying the superior performance of HAOPs remains amiss, which motivated this study. Molecular dynamics (MD) simulations were conducted to systematically compare the performance of HAOPs, which have been reported to be particularly effective for high molecular weight (HMW) NOM, with the conventional powdered activated carbon (PAC) adsorbent. Six NOM constituents, three of which have HMW and three have low molecular weight (LMW), were studied. Results indicate that the mechanisms underlying the effective removal of HMW NOM by HAOPs include: (1) higher foulant-HAOPs interaction energy; (2) greater hydration of the HMW NOM, which thereby increases the affinity to the more hydrophilic HAOPs; (3) diminished mobility of the foulant once adsorbed, which deters desorption; and (4) higher peak intensities in the radial distribution functions for multiple functional groups on the HMW NOM foulants. These results are expected to be valuable towards the better design of such materials for mitigating membrane fouling.
URI: https://hdl.handle.net/10356/159325
ISSN: 0376-7388
DOI: 10.1016/j.memsci.2019.117651
Schools: School of Chemical and Biomedical Engineering 
School of Civil and Environmental Engineering 
Interdisciplinary Graduate School (IGS) 
Research Centres: Singapore Membrane Technology Centre 
Rights: © 2019 Elsevier B.V.. All rights reserved.
Fulltext Permission: none
Fulltext Availability: No Fulltext
Appears in Collections:CEE Journal Articles
IGS Journal Articles
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