Review of Adsorption Studies for Contaminant Removal from Wastewater Using Molecular Simulation
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 differen...
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my.unimas.ir.411062023-01-13T02:00:13Z http://ir.unimas.my/id/eprint/41106/ Review of Adsorption Studies for Contaminant Removal from Wastewater Using Molecular Simulation Noor, e Hira Serene Sow Mun, Lock Noor Fazliani, Shoparwe Irene Sow Mei, Lock Lam Ghai, Lim Yiin, Chung Loong Yi Herng, Chan Muhammad, Hassam T Technology (General) TA Engineering (General). Civil engineering (General) TP Chemical technology 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. MDPI 2023-01-12 Article PeerReviewed text en http://ir.unimas.my/id/eprint/41106/3/Review%20of%20Adsorption%20-%20Copy.pdf Noor, e Hira and Serene Sow Mun, Lock and Noor Fazliani, Shoparwe and Irene Sow Mei, Lock and Lam Ghai, Lim and Yiin, Chung Loong and Yi Herng, Chan and Muhammad, Hassam (2023) Review of Adsorption Studies for Contaminant Removal from Wastewater Using Molecular Simulation. Sustainability, 15 (2). pp. 1-33. ISSN 2071-1050 https://www.mdpi.com/2071-1050/15/2/1510 https://doi.org/10.3390/su15021510 |
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T Technology (General) TA Engineering (General). Civil engineering (General) TP Chemical technology Noor, e Hira Serene Sow Mun, Lock Noor Fazliani, Shoparwe Irene Sow Mei, Lock Lam Ghai, Lim Yiin, Chung Loong Yi Herng, Chan Muhammad, Hassam Review of Adsorption Studies for Contaminant Removal from Wastewater Using Molecular Simulation |
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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. |
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Article |
author |
Noor, e Hira Serene Sow Mun, Lock Noor Fazliani, Shoparwe Irene Sow Mei, Lock Lam Ghai, Lim Yiin, Chung Loong Yi Herng, Chan Muhammad, Hassam |
author_facet |
Noor, e Hira Serene Sow Mun, Lock Noor Fazliani, Shoparwe Irene Sow Mei, Lock Lam Ghai, Lim Yiin, Chung Loong Yi Herng, Chan Muhammad, Hassam |
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Noor, e Hira |
title |
Review of Adsorption Studies for Contaminant Removal from Wastewater Using Molecular Simulation |
title_short |
Review of Adsorption Studies for Contaminant Removal from Wastewater Using Molecular Simulation |
title_full |
Review of Adsorption Studies for Contaminant Removal from Wastewater Using Molecular Simulation |
title_fullStr |
Review of Adsorption Studies for Contaminant Removal from Wastewater Using Molecular Simulation |
title_full_unstemmed |
Review of Adsorption Studies for Contaminant Removal from Wastewater Using Molecular Simulation |
title_sort |
review of adsorption studies for contaminant removal from wastewater using molecular simulation |
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MDPI |
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2023 |
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http://ir.unimas.my/id/eprint/41106/3/Review%20of%20Adsorption%20-%20Copy.pdf http://ir.unimas.my/id/eprint/41106/ https://www.mdpi.com/2071-1050/15/2/1510 https://doi.org/10.3390/su15021510 |
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13.160551 |