Dražević, Ljubinka

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Evaluation of adsorption performance and quantum chemical modeling of pesticides removal using cell-mg hybrid adsorbent

Perendija, Jovana; Veličković, Zlate S.; Dražević, Ljubinka; Stojiljković, Ivana; Milčić, Miloš; Milosavljević, Milutin M.; Marinković, Aleksandar D.; Pavlović, Vladimir

(International Institute for the Science of Sintering (IISS), 2021)

TY  - 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 . .
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