Work

Combined molecular dynamics simulations and experimental studies of the removal of cationic dyes on the eco-friendly adsorbent of activated carbon decorated montmorillonite Mt@AC

Year: 2023

Type: article

Abstract: → 0, RMSE lower). Molecular dynamic simulations are run to gain insights on the adsorption process. According to the RDF analysis and interaction energy calculations, the obtained results reveal a better affinity of the CV molecule with both the AC sheet and montmorillonite framework as compared with MB. This finding suggests that CV is adsorbed to a larger extent onto the nanocomposite material which is in good agreement with the adsorption isothermal experiment observations.

Source: RSC Advances

DOI: 10.1039/d2ra08059a

Authors: Hassan Ouachtak, Anouar El Guerdaoui, Rachid El Haouti, Redouane Haounati, Hamza Ighnih, Yahya Toubi, Fadi Alakhras, Rabia Rehman, Naima Hafid, Abdelaziz Ait Addi, Mohamed Labd Taha

Institutions: Université Ibn Zohr, Middle East University, University of the Punjab

Language: English

Topic: Adsorption and biosorption for pollutant removal

Subfield: Water Science and Technology

Field: Environmental Science

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $1,042

OpenAlex ID: W4319592289

FWCI: 8.462

Cites: 58

Cited by: 106

Related to: 10