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

и другие.

International Journal of Biological Macromolecules, Год журнала: 2024, Номер 281, С. 136970 - 136970

Опубликована: Окт. 28, 2024

Язык: 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, Год журнала: 2024, Номер 27, С. 100926 - 100926

Опубликована: Июль 20, 2024

Язык: Английский

Процитировано

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

и другие.

Journal of Molecular Liquids, Год журнала: 2025, Номер 425, С. 127216 - 127216

Опубликована: Фев. 28, 2025

Язык: Английский

Процитировано

1

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

Yinghao Zhao,

Hualan Zhou,

Mengzhen Song

и другие.

Journal of Molecular Structure, Год журнала: 2023, Номер 1283, С. 135268 - 135268

Опубликована: Март 3, 2023

Язык: Английский

Процитировано

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

и другие.

ACS Omega, Год журнала: 2024, Номер 9(13), С. 15175 - 15190

Опубликована: Март 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

Язык: Английский

Процитировано

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

и другие.

Journal of Polymers and the Environment, Год журнала: 2024, Номер unknown

Опубликована: Сен. 14, 2024

Язык: Английский

Процитировано

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

и другие.

Separation and Purification Technology, Год журнала: 2024, Номер unknown, С. 131111 - 131111

Опубликована: Дек. 1, 2024

Язык: Английский

Процитировано

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, Год журнала: 2024, Номер 136, С. 150 - 166

Опубликована: Фев. 5, 2024

Язык: Английский

Процитировано

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

и другие.

Heliyon, Год журнала: 2023, Номер 9(11), С. e22342 - e22342

Опубликована: Ноя. 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.

Язык: Английский

Процитировано

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

и другие.

Deleted Journal, Год журнала: 2024, Номер 44(4), С. 625 - 638

Опубликована: Май 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.

Язык: Английский

Процитировано

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

и другие.

Desalination and Water Treatment, Год журнала: 2025, Номер unknown, С. 100998 - 100998

Опубликована: Янв. 1, 2025

Язык: Английский

Процитировано

0