Computational methods for adsorption study in wastewater treatment

A Malloum, KA Adegoke, JO Ighalo, J Conradie… - Journal of Molecular …, 2023 - Elsevier
Computation methods or molecular simulations can be used to identify materials with high
adsorption capacity for wastewater treatment rapidly. They can also provide complementary …

Mussel-inspired fabrication of pH-responsive pomelo peels as “smart” bio-based adsorbents for controllable removal of both cationic and anionic dyes

S Lin, J Yu, A Yao, S Tian, H Liao, Y Zhan… - Separation and …, 2023 - Elsevier
In this work, novel and eco-friendly pH-responsive bio-based adsorbents derived from the
pomelo peel (PP) were successfully developed. The fabrication process involved the self …

[HTML][HTML] Molecular simulation-based insights into dye pollutant adsorption: A perspective review

I Salahshoori, Q Wang, MAL Nobre… - Advances in Colloid and …, 2024 - Elsevier
Growing concerns about environmental pollution have highlighted the need for efficient and
sustainable methods to remove dye contamination from various ecosystems. In this context …

[HTML][HTML] Efficient Disposal of Rhodamine 6G and Acid Orange 10 Dyes from Aqueous Media Using ZrO2/CdMn2O4/CdO as Novel and Facilely Synthesized …

EA Abdelrahman, FK Algethami, HS AlSalem… - Inorganics, 2023 - mdpi.com
It is essential to remove rhodamine 6G and acid orange 10 dyes from contaminated water
because they can induce cancer and irritate the lungs, skin, mucous, membranes, and eyes …

Removal of Rhodamine B dye by adsorption onto an eco-friendly zeolite and machine learning modeling

MES Pedebos, DM Druzian, LR Oviedo… - … of Photochemistry and …, 2024 - Elsevier
The present work aims to synthesize and characterize a zeolite doped with cobalt (ZO-Co)
from such as rice husk, residual sludge and pumice stone for application in the removal of …

Sustainable porous graphene/Co-MOF for the removal of water pollutants: Combined theoretical and experimental studies

Z Bano, M Akram, NZ Ali, MU Khan, F Wang, L Li… - Journal of Water …, 2024 - Elsevier
In this research, a novel composite of maleic acid derived 3D porous graphene and zeolatic
imidazolate framework (ZIF-67) was developed by using one step in-situ preparation …

Synergistically enhancing the selective adsorption of cationic dyes through copper impregnation and amino functionality into iron-based metal-organic frameworks

Q Wu, MS Siddique, M Wu, H Wang, Y Zhang… - Science of The Total …, 2024 - Elsevier
Dyes contaminating the sewages have seriously threatened the living beings and their
separation from wastewater in terms of potential resource recovery is of high value. Herein …

TiO2-NPs/ZnO-NPs@ Co3O4 nanocomposite from natural extracts for the Rhodamine 6 G photodegradation

RD Wouters, DM Druzian, PCL Muraro, M Da Silva… - Surfaces and …, 2024 - Elsevier
Socio-environmental issues are frequent in industrial growth, especially wastewater
containing dyes resulting in toxic effects on fauna and flora. Parallelly, synthesizing …

Machine learning models for efficient adsorption of congo red dye on high-performance polyethyleneimine macroporous sponge

RA Aftab, S Zaidi, AAP Khan, MA Usman… - Arabian Journal for …, 2024 - Springer
In this work, machine learning (ML) models were formulated to predict the batch and column
adsorption of Congo red (CR) dye on high-performance polyethyleneimine (PEI) based …

Machine learning assisted designing of Y-series small molecule acceptors: Library generation and property prediction

F Ahmad, A Mahmood, IH El Azab, N Ahmad… - … of Photochemistry and …, 2024 - Elsevier
The designing of new small molecule acceptors (SMAs) for organic solar cells has been a
prominent area of research for many decades. It is challenging to find unique materials due …