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dc.contributor.authorMa, Yunqiaoen_US
dc.contributor.authorHua, Taoen_US
dc.contributor.authorTrinh, Thien Anen_US
dc.contributor.authorWang, Rongen_US
dc.contributor.authorChew, Jia Weien_US
dc.identifier.citationMa, Y., Hua, T., Trinh, T. A., Wang, R. & Chew, J. W. (2022). Molecular dynamics simulation of the competitive adsorption behavior of effluent organic matters by heated aluminum oxide particles (HAOPs). Separation and Purification Technology, 292, 120961-.
dc.description.abstractFouling mitigation of reverse osmosis membranes using various pre-treatment methods has received tremendous attention in the past years. The use of dynamic membranes particularly composed of heated aluminum oxide particles (HAOPs) appears to be a promising approach. Based off adsorption behaviors by individual foulants revealed by molecular dynamics (MD) simulations in an earlier study, this study targeted to understand the competitive adsorption of different constituents of effluent organic matters (EfOM) on HAOPs, which mimics the high local foulant concentration at the boundary layer. Quantitative analysis reveals that (i) EfOM constituents, except for low-molecular-weight neutrals, exhibit means to anchor onto HAOPs despite steric hindrance; (ii) adsorbed foulants exhibit significantly lower mobility and flexibility, indicating excellent adsorption capability of HAOPs before the dynamic membrane layer becoomes fully saturated with EfOM; and (iii) divalent ions and carboxylic group play critical roles in facilitating the adsorption of foulants. The MD results provide molecular-level mechanistic insights on the superior pre-treatment effectiveness by HAOPs.en_US
dc.description.sponsorshipAgency for Science, Technology and Research (A*STAR)en_US
dc.description.sponsorshipMinistry of Education (MOE)en_US
dc.description.sponsorshipNational Research Foundation (NRF)en_US
dc.description.sponsorshipPublic Utilities Board (PUB)en_US
dc.relation1601- CRPW-T20en_US
dc.relation.ispartofSeparation and Purification Technologyen_US
dc.rights© 2022 Elsevier B.V. All rights reserved.en_US
dc.subjectEngineering::Chemical technologyen_US
dc.titleMolecular dynamics simulation of the competitive adsorption behavior of effluent organic matters by heated aluminum oxide particles (HAOPs)en_US
dc.typeJournal Articleen
dc.contributor.schoolSchool of Chemical and Biomedical Engineeringen_US
dc.contributor.schoolInterdisciplinary Graduate School (IGS)en_US
dc.contributor.schoolSchool of Civil and Environmental Engineeringen_US
dc.contributor.researchNanyang Environment and Water Research Instituteen_US
dc.contributor.researchSingapore Membrane Technology Centreen_US
dc.subject.keywordsDynamic Membraneen_US
dc.subject.keywordsHeated Aluminum Oxide Particlesen_US
dc.description.acknowledgementThis study was supported by the Singapore National Research Foundation under its Environment and Water Research Program and administrated by PUB, Singapore’s National Water Agency (1601-CRPW-T20); A*STAR (Singapore) Advanced Manufacturing and Engineering (AME) under its Pharma Innovation Programme Singapore (PIPS) program (A20B3a0070); A*STAR (Singapore) Advanced Manufacturing and Engineering (AME) under its Individual Research Grant (IRG) program (A2083c0049); the Singapore Ministry of Education Academic Research Tier 1 Grant (2019-T1-002-065; RG100/19) and the Singapore Ministry of Education Academic Research Tier 2 Grant (MOE-MOET2EP10120-0001).en_US
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