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Evaluation of Adsorption Performance and Quantum Chemical Modeling of Pesticides Removal using Cell-MG Hybrid Adsorbent
dc.creator | Perendija, Jovana | |
dc.creator | Veličković, Zlate S. | |
dc.creator | Drazevic, Ljubinka | |
dc.creator | Stojiljkovic, Ivana | |
dc.creator | Milcic, Milos | |
dc.creator | Milosavljevic, Milutin M. | |
dc.creator | Marinković, Aleksandar | |
dc.creator | Pavlović, Vladimir | |
dc.date.accessioned | 2022-03-04T11:18:37Z | |
dc.date.available | 2022-03-04T11:18:37Z | |
dc.date.issued | 2021 | |
dc.identifier.issn | 0350-820X | |
dc.identifier.uri | http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4828 | |
dc.description.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. | en |
dc.relation | info:eu-repo/grantAgreement/MESTD/inst-2020/200026/RS// | |
dc.relation | info:eu-repo/grantAgreement/MESTD/inst-2020/200135/RS// | |
dc.relation | info:eu-repo/grantAgreement/MESTD/inst-2020/200168/RS// | |
dc.rights | openAccess | |
dc.rights.uri | https://creativecommons.org/licenses/by/4.0/ | |
dc.source | Science of Sintering | |
dc.subject | Cellulose membrane | en |
dc.subject | Magnetite | en |
dc.subject | Pesticide | en |
dc.subject | Quantum-chemical calculations | en |
dc.title | Evaluation of Adsorption Performance and Quantum Chemical Modeling of Pesticides Removal using Cell-MG Hybrid Adsorbent | en |
dc.type | article | |
dc.rights.license | BY | |
dc.citation.epage | 378 | |
dc.citation.issue | 3 | |
dc.citation.other | 53(3): 355-378 | |
dc.citation.rank | M22 | |
dc.citation.spage | 355 | |
dc.citation.volume | 53 | |
dc.identifier.doi | 10.2298/SOS2103355P | |
dc.identifier.fulltext | http://TechnoRep.tmf.bg.ac.rs/bitstream/id/7855/Evaluation_of_adsorption_pub_2021.pdf | |
dc.identifier.scopus | 2-s2.0-85117336170 | |
dc.identifier.wos | 000727708300006 | |
dc.type.version | publishedVersion |