Evaluation of Adsorption Performance and Quantum Chemical Modeling of Pesticides Removal using Cell-MG Hybrid Adsorbent
2021
Preuzimanje 🢃
Autori
Perendija, JovanaVeličković, Zlate S.
Drazevic, Ljubinka
Stojiljkovic, Ivana
Milcic, Milos
Milosavljevic, Milutin M.
Marinković, Aleksandar
Pavlović, Vladimir
Članak u časopisu (Objavljena verzija)
Metapodaci
Prikaz svih podataka o dokumentuApstrakt
Magnetite (MG) modified cellulose membrane (Cell-MG), obtained by reaction of 3-aminosilane and subsequently with diethylenetriaminepentaacetic acid dianhydride functionalized waste Cell fibers (Cell-NH2 and Cell-DTPA, respectively), and amino-modified diatomite was used for Azoxystrobin and Iprodione removal from water. Cell-MG membrane was structurally and morphologically characterized using FT-IR and FE-SEM techniques. The influences of operational parameters, i.e. pH, contact time, temperature, and the mass of adsorbent on adsorption and kinetics were studied in a batch system. The calculated capacities of 35.32 and 30.16 mg g(-1) for Azoxystrobin and Iprodione, respectively, were obtained from non-linear Langmuir model fitting. Weber-Morris model fitting indicates the main contribution of intra-particle diffusion to overall mass transport resistance. Thermodynamic data indicate spontaneous and endothermic adsorption. The reusability of adsorbent and results from wastewater purific...ation showed that Cell-MG could be used as general-purpose adsorbent. The adsorbent/adsorbate surface interaction was considered from the results obtained using density functional theory (DFT) and calculation of molecular electrostatic potential (MEP). Thus, a better understanding of the relation between the adsorption performances and contribution of non-specific and specific interactions to adsorption performances and design of novel adsorbent with improved properties was deduced.
Ključne reči:
Cellulose membrane / Magnetite / Pesticide / Quantum-chemical calculationsIzvor:
Science of Sintering, 2021, 53, 3, 355-378Finansiranje / projekti:
- Ministarstvo nauke, tehnološkog razvoja i inovacija Republike Srbije, institucionalno finansiranje - 200026 (Univerzitet u Beogradu, Institut za hemiju, tehnologiju i metalurgiju - IHTM) (RS-MESTD-inst-2020-200026)
- Ministarstvo nauke, tehnološkog razvoja i inovacija Republike Srbije, institucionalno finansiranje - 200135 (Univerzitet u Beogradu, Tehnološko-metalurški fakultet) (RS-MESTD-inst-2020-200135)
- Ministarstvo nauke, tehnološkog razvoja i inovacija Republike Srbije, institucionalno finansiranje - 200168 (Univerzitet u Beogradu, Hemijski fakultet) (RS-MESTD-inst-2020-200168)
DOI: 10.2298/SOS2103355P
ISSN: 0350-820X
WoS: 000727708300006
Scopus: 2-s2.0-85117336170
Institucija/grupa
Tehnološko-metalurški fakultetTY - JOUR AU - Perendija, Jovana AU - Veličković, Zlate S. AU - Drazevic, Ljubinka AU - Stojiljkovic, Ivana AU - Milcic, Milos AU - Milosavljevic, Milutin M. AU - Marinković, Aleksandar AU - Pavlović, Vladimir PY - 2021 UR - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4828 AB - Magnetite (MG) modified cellulose membrane (Cell-MG), obtained by reaction of 3-aminosilane and subsequently with diethylenetriaminepentaacetic acid dianhydride functionalized waste Cell fibers (Cell-NH2 and Cell-DTPA, respectively), and amino-modified diatomite was used for Azoxystrobin and Iprodione removal from water. Cell-MG membrane was structurally and morphologically characterized using FT-IR and FE-SEM techniques. The influences of operational parameters, i.e. pH, contact time, temperature, and the mass of adsorbent on adsorption and kinetics were studied in a batch system. The calculated capacities of 35.32 and 30.16 mg g(-1) for Azoxystrobin and Iprodione, respectively, were obtained from non-linear Langmuir model fitting. Weber-Morris model fitting indicates the main contribution of intra-particle diffusion to overall mass transport resistance. Thermodynamic data indicate spontaneous and endothermic adsorption. The reusability of adsorbent and results from wastewater purification showed that Cell-MG could be used as general-purpose adsorbent. The adsorbent/adsorbate surface interaction was considered from the results obtained using density functional theory (DFT) and calculation of molecular electrostatic potential (MEP). Thus, a better understanding of the relation between the adsorption performances and contribution of non-specific and specific interactions to adsorption performances and design of novel adsorbent with improved properties was deduced. T2 - Science of Sintering T1 - Evaluation of Adsorption Performance and Quantum Chemical Modeling of Pesticides Removal using Cell-MG Hybrid Adsorbent EP - 378 IS - 3 SP - 355 VL - 53 DO - 10.2298/SOS2103355P ER -
@article{ author = "Perendija, Jovana and Veličković, Zlate S. and Drazevic, Ljubinka and Stojiljkovic, Ivana and Milcic, Milos and Milosavljevic, Milutin M. and Marinković, Aleksandar and Pavlović, Vladimir", year = "2021", abstract = "Magnetite (MG) modified cellulose membrane (Cell-MG), obtained by reaction of 3-aminosilane and subsequently with diethylenetriaminepentaacetic acid dianhydride functionalized waste Cell fibers (Cell-NH2 and Cell-DTPA, respectively), and amino-modified diatomite was used for Azoxystrobin and Iprodione removal from water. Cell-MG membrane was structurally and morphologically characterized using FT-IR and FE-SEM techniques. The influences of operational parameters, i.e. pH, contact time, temperature, and the mass of adsorbent on adsorption and kinetics were studied in a batch system. The calculated capacities of 35.32 and 30.16 mg g(-1) for Azoxystrobin and Iprodione, respectively, were obtained from non-linear Langmuir model fitting. Weber-Morris model fitting indicates the main contribution of intra-particle diffusion to overall mass transport resistance. Thermodynamic data indicate spontaneous and endothermic adsorption. The reusability of adsorbent and results from wastewater purification showed that Cell-MG could be used as general-purpose adsorbent. The adsorbent/adsorbate surface interaction was considered from the results obtained using density functional theory (DFT) and calculation of molecular electrostatic potential (MEP). Thus, a better understanding of the relation between the adsorption performances and contribution of non-specific and specific interactions to adsorption performances and design of novel adsorbent with improved properties was deduced.", journal = "Science of Sintering", title = "Evaluation of Adsorption Performance and Quantum Chemical Modeling of Pesticides Removal using Cell-MG Hybrid Adsorbent", pages = "378-355", number = "3", volume = "53", doi = "10.2298/SOS2103355P" }
Perendija, J., Veličković, Z. S., Drazevic, L., Stojiljkovic, I., Milcic, M., Milosavljevic, M. M., Marinković, A.,& Pavlović, V.. (2021). Evaluation of Adsorption Performance and Quantum Chemical Modeling of Pesticides Removal using Cell-MG Hybrid Adsorbent. in Science of Sintering, 53(3), 355-378. https://doi.org/10.2298/SOS2103355P
Perendija J, Veličković ZS, Drazevic L, Stojiljkovic I, Milcic M, Milosavljevic MM, Marinković A, Pavlović V. Evaluation of Adsorption Performance and Quantum Chemical Modeling of Pesticides Removal using Cell-MG Hybrid Adsorbent. in Science of Sintering. 2021;53(3):355-378. doi:10.2298/SOS2103355P .
Perendija, Jovana, Veličković, Zlate S., Drazevic, Ljubinka, Stojiljkovic, Ivana, Milcic, Milos, Milosavljevic, Milutin M., Marinković, Aleksandar, Pavlović, Vladimir, "Evaluation of Adsorption Performance and Quantum Chemical Modeling of Pesticides Removal using Cell-MG Hybrid Adsorbent" in Science of Sintering, 53, no. 3 (2021):355-378, https://doi.org/10.2298/SOS2103355P . .