Evaluation of adsorption performance and quantum chemical modeling of pesticides removal using cell-mg hybrid adsorbent
Authors
Perendija, JovanaVeličković, Zlate S.
Dražević, Ljubinka
Stojiljković, Ivana
Milčić, Miloš
Milosavljević, Milutin M.
Marinković, Aleksandar D.
Pavlović, Vladimir
Article (Published version)
Metadata
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:
- International Institute for the Science of Sintering (IISS)
Funding / projects:
- Ministry of Science, Technological Development and Innovation of the Republic of Serbia, institutional funding - 200026 (University of Belgrade, Institute of Chemistry, Technology and Metallurgy - IChTM) (RS-MESTD-inst-2020-200026)
- Ministry of Science, Technological Development and Innovation of the Republic of Serbia, institutional funding - 200135 (University of Belgrade, Faculty of Technology and Metallurgy) (RS-MESTD-inst-2020-200135)
- Ministry of Science, Technological Development and Innovation of the Republic of Serbia, institutional funding - 200168 (University of Belgrade, Faculty of Chemistry) (RS-MESTD-inst-2020-200168)
DOI: 10.2298/SOS2103355P
ISSN: 0350-820X
WoS: 000727708300006
Scopus: 2-s2.0-85117336170
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Institution/Community
Poljoprivredni fakultetTY - JOUR AU - Perendija, Jovana AU - Veličković, Zlate S. AU - Dražević, Ljubinka AU - Stojiljković, Ivana AU - Milčić, Miloš AU - Milosavljević, Milutin M. AU - Marinković, Aleksandar D. AU - Pavlović, Vladimir PY - 2021 UR - http://aspace.agrif.bg.ac.rs/handle/123456789/5957 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 - International Institute for the Science of Sintering (IISS) 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 Dražević, Ljubinka and Stojiljković, Ivana and Milčić, Miloš and Milosavljević, Milutin M. and Marinković, Aleksandar D. 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.", publisher = "International Institute for the Science of Sintering (IISS)", 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., Dražević, L., Stojiljković, I., Milčić, M., Milosavljević, M. M., Marinković, A. D.,& Pavlović, V.. (2021). Evaluation of adsorption performance and quantum chemical modeling of pesticides removal using cell-mg hybrid adsorbent. in Science of Sintering International Institute for the Science of Sintering (IISS)., 53(3), 355-378. https://doi.org/10.2298/SOS2103355P
Perendija J, Veličković ZS, Dražević L, Stojiljković I, Milčić M, Milosavljević MM, Marinković AD, 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., Dražević, Ljubinka, Stojiljković, Ivana, Milčić, Miloš, Milosavljević, Milutin M., Marinković, Aleksandar D., 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 . .