Please use this identifier to cite or link to this item:
http://hdl.handle.net/123456789/4811
DC Field | Value | Language |
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dc.contributor.author | Hira N.E. | en_US |
dc.contributor.author | Lock S.S.M. | en_US |
dc.contributor.author | Shoparwe, N.F. | en_US |
dc.contributor.author | Lock I.S.M. | en_US |
dc.contributor.author | Lim L.G. | en_US |
dc.contributor.author | Yiin C.L. | en_US |
dc.contributor.author | Chan Y.H. | en_US |
dc.contributor.author | Hassam M. | en_US |
dc.date.accessioned | 2023-08-24T07:08:42Z | - |
dc.date.available | 2023-08-24T07:08:42Z | - |
dc.date.issued | 2023 | - |
dc.identifier.issn | 20711050 | - |
dc.identifier.uri | http://hdl.handle.net/123456789/4811 | - |
dc.description | Web of Science / Scopus | en_US |
dc.description.abstract | In recent years, simulation studies have emerged as valuable tools for understanding processes. In particular, molecular dynamic simulations hold great significance when it comes to the adsorption process. However, comprehensive studies on molecular simulations of adsorption processes using different adsorbents are scarcely available for wastewater treatment covering different contaminants and pollutants. Hence, in this review, we organized the available information on various aspects of the adsorption phenomenon that were realized using molecular simulations for a broad range of potentially effective adsorbents applied in the removal of contaminants from wastewater. This review was compiled for adsorbents under five major categories: (1) carbon-based, (2) oxides and hydroxides, (3) zeolites, (4) metal–organic frameworks and (5) clay. From the review, it was found that simulation studies help us understand various parameters such as binding energy, Gibbs free energy, electrostatic field, ultrasound waves and binding ability for adsorption. Moreover, from the review of recent simulation studies, the effect of ultrasound waves and the electrostatic field was elucidated, which promoted the adsorption capacity. This review can assist in the screening of classified adsorbents for wastewater treatment using a fast and cheap approach while helping us understand the adsorption process from an atomistic perspective. | en_US |
dc.language.iso | en | en_US |
dc.publisher | MDPI | en_US |
dc.relation.ispartof | Sustainability (Switzerland) | en_US |
dc.subject | adsorption | en_US |
dc.subject | adsorption capacity | en_US |
dc.subject | carbon-based compounds | en_US |
dc.subject | clay | en_US |
dc.subject | metal–organic frame | en_US |
dc.subject | molecular simulation | en_US |
dc.subject | oxides and hydroxides | en_US |
dc.subject | wastewater treatment | en_US |
dc.subject | zeolites | en_US |
dc.title | Review of Adsorption Studies for Contaminant Removal from Wastewater Using Molecular Simulation | en_US |
dc.type | International | en_US |
dc.identifier.doi | 10.3390/su15021510 | - |
dc.volume | 15 (2) | en_US |
dc.description.articleno | 1510 | en_US |
dc.description.type | Review | en_US |
dc.description.impactfactor | 3.9 | en_US |
dc.description.quartile | Q2 | en_US |
item.languageiso639-1 | en | - |
item.openairetype | International | - |
item.grantfulltext | open | - |
item.fulltext | With Fulltext | - |
Appears in Collections: | Faculty of Bioengineering and Technology - Journal (Scopus/WOS) |
Files in This Item:
File | Description | Size | Format | |
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Review-of-Adsorption-Studies-for-Contaminant-Removal-from-Wastewater-Using-Molecular-SimulationSustainability-Switzerland.pdf | 3.39 MB | Adobe PDF | View/Open |
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