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

Author:

Sellak Sarra1,Bensalah Jaouad1,Ouaddari Hanae12,Safi Zaki3,Berisha Avni4,Draoui Khalid5,Barrak Ilias6,Guedira Taoufiq7,Bourhia Mohammed89ORCID,Ibenmoussa Samir10,Okla Mohammad11,Dauelbait Musaab12ORCID,Habsaoui Amar1,Harcharras Mohamed1

Affiliation:

1. Laboratory of Advanced Materials and Process Engineering (LAMPE), Department of Chemistry, Faculty of Sciences, Ibn Tofaïl University, B.P. 133, 14000 Kenitra, Morocco

2. Chemistry platform, UATRS, National Center for Scientific and Technical Research (CNRST), Rabat 10500, Morocco

3. Chemistry Department, Faculty of Science, Al Azhar University-Gaza, P.O Box 1277 Gaza, Palestine

4. Department of Chemistry, Faculty of Natural and Mathematics Science, University of Prishtina, 10000 Prishtina, Kosovo

5. Laboratory MSI, Faculty of Sciences, Abdelmalek Essaadi University, Tetouan 93030, Morocco

6. Hydrogen Solutions - INNOVX, University Mohammed VI Polytechnic, Ben Guerir 43150, Morocco

7. Laboratory of Organic Chemistry, Catalysis, and Environment. University of Ibn Tofail, Faculty of Science, Po Box 133, Kenitra 14000, Morocco

8. Department of Chemistry and Biochemistry, Faculty of Medicine and Pharmacy, Ibn Zohr University, Laayoune 70000, Morocco

9. Laboratory of Chemistry-Biochemistry, Environment, Nutrition, and Health, Faculty of Medicine and Pharmacy, University Hassan II, B. P. 5696, Casablanca, Morocco

10. Laboratory of Therapeutic and Organic Chemistry, Faculty of Pharmacy, University of Montpellier, Montpellier 34000 France

11. Botany and Microbiology Department, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia

12. Department of Scientific Translation, University of Bahri, Bahri 11111, Sudan

Funder

King Saud University

Publisher

American Chemical Society (ACS)

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