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Modeling of tenofovir disoproxil fumarate decontamination using sodium alginate-encapsulated activated carbon: Molecular dynamics, monte carlo and density functional theory

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Al-Azhar University – Gaza
Ajebli S.; Kaichouh G.; Khachani M.; Babas H.; EL Karbane M.; Safi Z.S.; Berisha A.; Mehmeti V.; Warad I.; Zarrouk A.; Bellaouchou A.
Ajebli, S. (57554913200); Kaichouh, G. (22940517400); Khachani, M. (36910687300); Babas, H. (57221848755); EL Karbane, M. (46761033200); Safi, Zaki S. (16199979600); Berisha, A. (6602750115); Mehmeti, V. (57090819500); Warad, I. (6506402060); Zarrouk, A. (36125763200); Bellaouchou, A. (6506664889)
57554913200; 22940517400; 36910687300; 57221848755; 46761033200; 16199979600; 6602750115; 57090819500; 6506402060; 36125763200; 6506664889
2023
Colloids and Surfaces A: Physicochemical and Engineering Aspects
Modeling of tenofovir disoproxil fumarate decontamination using sodium alginate-encapsulated activated carbon: Molecular dynamics, monte carlo and density functional theory
663
Elsevier B.V.
131057
Laboratory of Materials, Nanotechnology, and Environment, Mohammed V University in Rabat, Morocco, Faculty of Sciences, PO. Box. 1014, Rabat, Morocco; Laboratory of Analytical Chemistry and Bromatology, Faculty of Medicine and Pharmacy of Rabat, University Mohammed V, Rabat, Morocco; Al Azhar University – Gaza, Chemistry Department, Faculty of Science, P.O. Box 1277, Gaza, Palestine; Department of Chemistry, Prishtina, 10000, Netherlands; Department of Chemistry, AN-Najah National University, P.O. Box 7, Nablus, Palestine
Ajebli S., Laboratory of Materials, Nanotechnology, and Environment, Mohammed V University in Rabat, Morocco, Faculty of Sciences, PO. Box. 1014, Rabat, Morocco; Kaichouh G., Laboratory of Materials, Nanotechnology, and Environment, Mohammed V University in Rabat, Morocco, Faculty of Sciences, PO. Box. 1014, Rabat, Morocco; Khachani M., Laboratory of Materials, Nanotechnology, and Environment, Mohammed V University in Rabat, Morocco, Faculty of Sciences, PO. Box. 1014, Rabat, Morocco; Babas H., Laboratory of Materials, Nanotechnology, and Environment, Mohammed V University in Rabat, Morocco, Faculty of Sciences, PO. Box. 1014, Rabat, Morocco; EL Karbane M., Laboratory of Analytical Chemistry and Bromatology, Faculty of Medicine and Pharmacy of Rabat, University Mohammed V, Rabat, Morocco; Safi Z.S., Al Azhar University – Gaza, Chemistry Department, Faculty of Science, P.O. Box 1277, Gaza, Palestine; Berisha A., Department of Chemistry, Prishtina, 10000, Netherlands; Mehmeti V., Department of Chemistry, Prishtina, 10000, Netherlands; Warad I., Department of Chemistry, AN-Najah National University, P.O. Box 7, Nablus, Palestine; Zarrouk A., Laboratory of Materials, Nanotechnology, and Environment, Mohammed V University in Rabat, Morocco, Faculty of Sciences, PO. Box. 1014, Rabat, Morocco; Bellaouchou A., Laboratory of Materials, Nanotechnology, and Environment, Mohammed V University in Rabat, Morocco, Faculty of Sciences, PO. Box. 1014, Rabat, Morocco
G. Kaichouh; Laboratory of Materials, Nanotechnology, and Environment, Mohammed V University in Rabat, Morocco, Faculty of Sciences, Rabat, PO. Box. 1014, Morocco; email: g.kaichouh@gmail.com
24
10.1016/j.colsurfa.2023.131057
Activated carbon; DFT/Molecular Dynamic/Monte Carlo; Encapsulation; Sodium alginate; Tenofovir disoproxil fumarate; TGA/TDA/FTIR/SEM/XRD
Activated carbon; Adsorption; Density functional theory; Isotherms; Monte Carlo methods; Sodium; Sodium alginate; Thermoanalysis; activated carbon; alginic acid; tenofovir disoproxil; Density-functional-theory; DFT/molecular dynamic/monte carlo; Dynamic MOnte Carlo; FTIR; Fumarates; Powdered activated carbon; Tenofovir; Tenofovir disoproxil fumarate; TGA/TDA/FTIR/SEM/XRD; XRD; adsorption; adsorption kinetics; Article; controlled study; density functional theory; desorption; encapsulation; Fourier transform infrared spectroscopy; moisture; molecular dynamics; Monte Carlo method; physical chemistry; scanning electron microscopy; thermodynamics; thermogravimetry; waste water management; X ray diffraction; Molecular dynamics