[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] Advancements in molecular simulation for understanding pharmaceutical pollutant Adsorption: A State-of-the-Art review

I Salahshoori, S Mahdavi, Z Moradi, M Otadi… - Journal of Molecular …, 2024 - Elsevier
The contamination of natural water resources by pharmaceutical pollutants has become a
significant environmental concern. Traditional experimental approaches for understanding …

Performance of cross-linked chitosan-zeolite composite adsorbent for removal of Pb2+ ions from aqueous solutions: experimental and Monte Carlo simulations …

ZM Şenol, E Elma, N El Messaoudi… - Journal of Molecular …, 2023 - Elsevier
In this study, we investigated the performance of a cross-linked chitosan (Ch)-zeolite (Z)
composite (Ch-Z) adsorbent for the removal of Pb 2+ ions from water. The results revealed …

Investigation of the anionic polyacrylamide as a potential adsorbent of crystal violet dye from aqueous solution: equilibrium, kinetic, thermodynamic, DFT, MC and MD …

I Lebkiri, B Abbou, R Hsissou, Z Safi, M Sadiku… - Journal of Molecular …, 2023 - Elsevier
Hydrogels have been of great interest for the removal of hazardous chemicals and dyes from
aqueous media. This study deals with the application of anionic polyacrylamide hydrogels in …

Activated carbon derived from sugarcane and modified with natural zeolite for efficient adsorption of methylene blue dye: experimentally and theoretically approaches

F Mohamed, M Shaban, SK Zaki, MS Abd-Elsamie… - Scientific Reports, 2022 - nature.com
The introduction of activated carbon/natural zeolite (AC/NZ) as an efficient and reliable
nanoadsorbent for enhancing methylene blue (MB) dye adsorption. By calcining sugarcane …

Fabrication of carboxymethyl cellulose/graphene oxide/ZnO composite hydrogel for efficient removal of fuchsin dye from aqueous media

S Hussain, M Salman, U Farooq, F Zahid… - International Journal of …, 2024 - Elsevier
Hydrogels are hydrophilic, insoluble, and highly porous 3D networks capable of absorbing
large amounts of water. This study aimed to develop a carboxymethyl cellulose/graphene …

Adsorptive removal of Rhodamine B dye using carbon graphite/cnt composites as adsorbents: Kinetics, isotherms and thermodynamic study

S Zghal, I Jedidi, M Cretin, S Cerneaux… - Materials, 2023 - mdpi.com
The study of the adsorption efficiency of new carbon/CNT composites was undertaken to
remove a cationic dye, Rhodamine B (RhB), from dye-contaminated wastewater. Indeed, we …

Green synthesize of nano-MOF-ethylcellulose composite fibers for efficient adsorption of Congo red from water

F Aghaei, S Tangestaninejad, M Bahadori… - Journal of Colloid and …, 2023 - Elsevier
Two novel MOF-ethyl cellulose (EC)-based nanocomposites have been designed and
synthesized in water by electrospinning and applied for adsorption of congo red (CR) in …

Synthesis of β-tricalcium phosphate/PEG 6000 composite by novel dissolution/precipitation method: optimization of the adsorption process using a factorial design …

K Azzaoui, M Aaddouz, N Akartasse… - Arabian Journal for …, 2024 - Springer
We propose the synthesis of a tricalcium phosphate and PEG 6000 composite for use in the
removal of dangerous metal ions from wastewater using a unique method of synthesis …

Optimization of the adsorption of lead (II) by hydroxyapatite using a factorial design: Density functional theory and molecular dynamics

L El Hammari, R Hamed, K Azzaoui, S Jodeh… - Frontiers in …, 2023 - frontiersin.org
Hydroxyapatite (HAp) synthesized through a wet chemical procedure was used to adsorb
lead (II) from an aqueous solution. HAp was characterized using Fourier transform infrared …