Evaluation of Adsorption Performance and Quantum Chemical Modeling of Pesticides Removal using Cell-MG Hybrid Adsorbent

Authors

  • Jovana Perendija University of Belgrade, Institute of Chemistry, Technology and Metallurgy, National Institute of the Republic of Serbia
  • Zlate S. Veličković Military Academy, University of Defense
  • Ljubinka Dražević Faculty of Technical Science, University of Priština
  • Ivana Stojiljković Faculty of Forestry, University of Belgrade
  • Miloš Milčić Faculty of Chemistry, University of Belgrade
  • Milutin M. Milosavljević Faculty of Technical Science, University of Priština
  • Aleksandar D. Marinković Faculty of Technology and Metallurgy, University of Belgrade
  • Vladimir Pavlović Institute of Technical Sciences of SASA; Faculty of Agriculture, University of Belgrade

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.

Downloads

Published

2021-08-31

Issue

Vol. 53 No. 3 (2021)

Section

Articles

License

This work is licensed under a Creative Commons Attribution 4.0 International License.

Authors retain copyright of the published papers and grant to the publisher the right to publish the article, to be cited as its original publisher in case of reuse, and to distribute it in all forms and media. Articles will be distributed under the Creative Commons Attribution International License (CC BY 4.0).