Evaluation of adsorption performance and quantum chemical modeling of pesticides removal using Cell-MG hybrid adsorbent
Authors
Perendija, JovanaVeličković, Zlate

Dražević, Ljubinka
Stojiljković, Ivana N.
Milčić, Miloš K.

Milosavljević, Milutin M.
Marinković, Aleksandar
Pavlović, Vladimir B.

Article (Published version)
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Show full item recordAbstract
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 purificat...ion 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
Keywords:
Cellulose membrane / Magnetite / Pesticide / Quantum-chemical calculationsSource:
Science of Sintering, 2021, 53, 3, 355-378Publisher:
- Association for ETRAN Society
Funding / projects:
- Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 200026 (University of Belgrade, Institute of Chemistry, Technology and Metallurgy - IChTM) (RS-200026)
- Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 200135 (University of Belgrade, Faculty of Technology and Metallurgy) (RS-200135)
- Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 200168 (University of Belgrade, Faculty of Chemistry) (RS-200168)
DOI: 10.2298/SOS2103355P
ISSN: 0350-820X
WoS: 000727708300006
Scopus: 2-s2.0-85117336170
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Hemijski fakultet / Faculty of ChemistryTY - JOUR AU - Perendija, Jovana AU - Veličković, Zlate AU - Dražević, Ljubinka AU - Stojiljković, Ivana N. AU - Milčić, Miloš K. AU - Milosavljević, Milutin M. AU - Marinković, Aleksandar AU - Pavlović, Vladimir B. PY - 2021 UR - https://cherry.chem.bg.ac.rs/handle/123456789/4752 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 PB - Association for ETRAN Society T2 - Science of Sintering T1 - Evaluation of adsorption performance and quantum chemical modeling of pesticides removal using Cell-MG hybrid adsorbent VL - 53 IS - 3 SP - 355 EP - 378 DO - 10.2298/SOS2103355P ER -
@article{ author = "Perendija, Jovana and Veličković, Zlate and Dražević, Ljubinka and Stojiljković, Ivana N. and Milčić, Miloš K. and Milosavljević, Milutin M. and Marinković, Aleksandar and Pavlović, Vladimir B.", 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", publisher = "Association for ETRAN Society", journal = "Science of Sintering", title = "Evaluation of adsorption performance and quantum chemical modeling of pesticides removal using Cell-MG hybrid adsorbent", volume = "53", number = "3", pages = "355-378", doi = "10.2298/SOS2103355P" }
Perendija, J., Veličković, Z., Dražević, L., Stojiljković, I. N., Milčić, M. K., Milosavljević, M. M., Marinković, A.,& Pavlović, V. B.. (2021). Evaluation of adsorption performance and quantum chemical modeling of pesticides removal using Cell-MG hybrid adsorbent. in Science of Sintering Association for ETRAN Society., 53(3), 355-378. https://doi.org/10.2298/SOS2103355P
Perendija J, Veličković Z, Dražević L, Stojiljković IN, Milčić MK, Milosavljević MM, Marinković A, Pavlović VB. 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, Dražević, Ljubinka, Stojiljković, Ivana N., Milčić, Miloš K., Milosavljević, Milutin M., Marinković, Aleksandar, Pavlović, Vladimir B., "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 . .