Please use this identifier to cite or link to this item: https://hdl.handle.net/10356/162111
Title: Molecular dynamics simulation of the competitive adsorption behavior of effluent organic matters by heated aluminum oxide particles (HAOPs)
Authors: Ma, Yunqiao
Hua, Tao
Trinh, Thien An
Wang, Rong
Chew, Jia Wei
Keywords: Engineering::Chemical technology
Issue Date: 2022
Source: Ma, 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-. https://dx.doi.org/10.1016/j.seppur.2022.120961
Project: 1601- CRPW-T20
A20B3a0070
A2083c0049
2019-T1-002-065
MOE-MOET2EP10120-0001
RG100/19
Journal: Separation and Purification Technology
Abstract: Fouling 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.
URI: https://hdl.handle.net/10356/162111
ISSN: 1383-5866
DOI: 10.1016/j.seppur.2022.120961
Rights: © 2022 Elsevier B.V. All rights reserved.
Fulltext Permission: none
Fulltext Availability: No Fulltext
Appears in Collections:CEE Journal Articles
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