Density Functional Theory analysis and molecular dynamic simulation to understand the mechanism of hazardous dyes adsorption onto cellulose in aqueous solution DOI
Malika Khnifira, Wafaa Boumya,

Jamal Atarki

et al.

International Journal of Biological Macromolecules, Journal Year: 2024, Volume and Issue: 281, P. 136970 - 136970

Published: Oct. 28, 2024

Language: Английский

Design and evaluation of a polyaniline-Azadirachta indica composite for efficient dye removal: Insights from experimental and theoretical simulations DOI
Zeeshan Ahamad, Abu Nasar

Materials Today Sustainability, Journal Year: 2024, Volume and Issue: 27, P. 100926 - 100926

Published: July 20, 2024

Language: Английский

Citations

13

Eco-friendly synthesis of ZnO/chitosan nanocomposite: Detailed characterization, DFT study, docking study, adsorption kinetics, thermodynamic analysis and antioxidant properties DOI

Mahmood A. Albo Hay Allah,

Hanadi K. Ibrahim,

Ali Ahmed Abdulridha

et al.

Journal of Molecular Liquids, Journal Year: 2025, Volume and Issue: 425, P. 127216 - 127216

Published: Feb. 28, 2025

Language: Английский

Citations

1

Interface engineering of Ti-MOFs: Adsorption of anionic, cationic and neutral dyes in wastewater DOI

Yinghao Zhao,

Hualan Zhou,

Mengzhen Song

et al.

Journal of Molecular Structure, Journal Year: 2023, Volume and Issue: 1283, P. 135268 - 135268

Published: March 3, 2023

Language: Английский

Citations

18

Adsorption of Methylene Blue Dye and Analysis of Two Clays: A Study of Kinetics, Thermodynamics, and Modeling with DFT, MD, and MC Simulations DOI Creative Commons

Sarra Sellak,

Jaouad Bensalah, Hanae Ouaddari

et al.

ACS Omega, Journal Year: 2024, Volume and Issue: 9(13), P. 15175 - 15190

Published: March 18, 2024

The purpose of this research was to learn more about the primary and secondary properties Moroccan natural clay in an effort better investigate innovative adsorbents gain access ideal adsorption system. Scanning electron microscopy coupled with energy-dispersive X-ray spectroscopy analysis (SEM-EDX) fluorescence were employed for identification. SEM revealed grains, including tiny particles unevenly shaped sticks. First- second-order rate laws, representing two distinct kinetic models, applied approach. Adsorption dye MB onto studied, results agreed 2 s order model. significant correlation coefficients support inference that process governed by Langmuir Subsequent DFT analyses demonstrated methylene blue dye's HOMO LUMO surfaces are dispersed across most components, pointing a strong interaction clay. To determine how might be adsorbed clay, we quantum descriptors locate its nucleophilic electrophilic centers. Endothermic reactions evident during on as indicated positive values Δ

Language: Английский

Citations

6

Simultaneous Removal of Eriochrome Black T and Chromate Anions from Aqueous Solution Using Functionalized Hybrid Magnetic Polymers DOI
Huda M. Alghamdi,

Rihab M. Mohammad,

Khalid Z. Elwakeel

et al.

Journal of Polymers and the Environment, Journal Year: 2024, Volume and Issue: unknown

Published: Sept. 14, 2024

Language: Английский

Citations

6

A critical review on the removal of anionic dyes by cross-linked resin: Recent progress, challenges and future perspective DOI
Mochamad Lutfi Firmansyah, Muhammad Ashraf, Nisar Ullah

et al.

Separation and Purification Technology, Journal Year: 2024, Volume and Issue: unknown, P. 131111 - 131111

Published: Dec. 1, 2024

Language: Английский

Citations

6

Statistical physics modelling and density functional theory calculations for glyphosate adsorption using zinc oxide-doped activated carbon DOI
Kamalesh Sen, Naba Kumar Mondal

Journal of Industrial and Engineering Chemistry, Journal Year: 2024, Volume and Issue: 136, P. 150 - 166

Published: Feb. 5, 2024

Language: Английский

Citations

5

Nanosheet g-C3N4 enhanced by Bi2MoO6 for highly efficient photocatalysts toward photodegradation of Rhodamine-B dye DOI Creative Commons

Amira Masoud,

M.A. Ahmed,

Fritz E. Kühn

et al.

Heliyon, Journal Year: 2023, Volume and Issue: 9(11), P. e22342 - e22342

Published: Nov. 1, 2023

The investigation of a proficient photocatalytic system for the degradation organic pollutants holds significant importance in field environmental management. This study presents binary type II heterojunction photocatalyst, Bi2MoO6/g-C3N4 which is synthesized using an eco-friendly ultrasonic-assisted method. Various characterization methods (XRD, FTIR, XPS, BET, TEM, UV-vis, and PL) are used to investigate crystalline structures, composition, surface analysis, morphology, optical properties photocatalyst. All nanocomposites show better activity Rhodamine B dye (Rh-B) under Ultraviolet light irradiation than pure g-C3N4. 10 % nanocomposite found be greatest among tested samples. demonstrates ability degrade 94.6 Rh-B (1 × 10-5 M) within 3 h, with rate constant 0.015 min-1. Notably, this 7 times greater that observed g-C3N4, has 0.00218 effect several reaction factors on removal studied. enhanced mainly due formation 2D/2D increasing active sites separation photogenerated carriers. A possible mechanism over suggested based species trapping experiment. Moreover, high stability recyclability exhibited by provide strong evidence supporting its suitability as viable photocatalyst wastewater treatment purposes.

Language: Английский

Citations

11

Adsorption techniques including polymer resin for the removal of the micropollutants organics and metallics: A comprehensive review DOI
Jaouad Bensalah,

Naoufal El Hachlafi,

Ghizlane Doumane

et al.

Deleted Journal, Journal Year: 2024, Volume and Issue: 44(4), P. 625 - 638

Published: May 20, 2024

Surface waters and effluents from wastewater treatment plants contain micropollutants derived a wide variety of inorganic organic substances, including medications, cosmetics, agrochemicals. Consequently, monitoring the number environmental that persist is current priority. This article gives brief history these contaminants their effects on water, as well literature review topic using cheap adsorbents to filter out most common kinds surface water. Although showed impressive adsorption capacities in different environments, practical use treating water will depend aspects like production cost, recyclability, competitiveness.

Language: Английский

Citations

4

Comprehensive analysis of hazardous dye adsorption onto a green adsorbent: Experimental profiling, theoretical modeling, and deciphering potential molecular interactions DOI Creative Commons
Rajae Ghibate, Mohammed Chrachmy, Marwa Alaqarbeh

et al.

Desalination and Water Treatment, Journal Year: 2025, Volume and Issue: unknown, P. 100998 - 100998

Published: Jan. 1, 2025

Language: Английский

Citations

0