Yazar "Mehmeti, Valbone" seçeneğine göre listele

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    Biosorption of rhodamine B and sunset yellow dyes on cross-linked chitosan-alginate biocomposite beads: Experimental and theoretical studies
    (Elsevier, 2025) Senol, Zeynep Mine; Arslanoglu, Hasan; Keskin, Zehra Seba; Mehmeti, Valbone; El Messaoudi, Noureddine
    This research explores the biosorption of Rhodamine B (Rd-B) and Sunset Yellow (SY) dyes using cross-linked chitosan-alginate (Ch-A) biocomposite beads, combining experimental investigations with theoretical studies to elucidate the biosorption mechanisms. The biocomposite beads were synthesized through an eco-friendly cross-linking method, and their structural properties were characterized using various characterization techniques. Complementary theoretical studies using Monte Carlo (MC) simulations and molecular dynamics (MD) calculations provided insights into the molecular interactions between the dyes and the biocomposite beads. ChA maximal biosorption capacity for Rd-B and SY was determined using the Langmuir model to be 43.6 mg g- 1 and 25.1 mg g- 1, respectively. Kinetic analysis elucidated that the biosorption process for Rd-B followed the pseudo first order (PFO) model and SY followed the pseudo second order (PSO) model. According to the thermodynamic characteristics, Rd-B and SY adsorb spontaneously and endothermically on Ch-A. In conjunction, MC and MD calculations were applied to probe the interactions between Rd-B and SY molecules and the Ch-A biocomposite beads, providing compelling evidence of robust binding interactions such as hydrogen bonds, electrostatic attractions, and it-it interactions. These theoretical insights were subsequently aligned with empirical observations, affirming a significant relation between the theoretical and experimental data. This study highlights the significance of combining experimental data with theoretical models to advance the development of environmentally friendly materials for water purification.
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    Preparation of Polyacrylamide Titanium Dioxide Hybrid Nanocomposite by Direct Polymerization and Its Applicability in Removing Crystal Violet from Aqueous Solution
    (Springer, 2024) Arslan, Dilek Senol; Ertap, Hueseyin; Senol, Zeynep Mine; El Messaoudi, Noureddine; Mehmeti, Valbone
    The present paper focused on synthesizing a polyacrylamide-titanium dioxide (PAA@TiO2) nanocomposite using a cross-linking method with N, N & PRIME;-methylenebisacrylamide and then using this composite to eliminate crystal violet (CV) dye from water and to characterize the adsorbent by XRD, FT-IR, and SEM-EDX techniques. The characterization revealed that TiO2 nanoparticles dispersed homogeneously within the polymer matrix. The maximum amount of adsorption was about 38.9 mg g(-1) under the adsorbent dose of 5 g L-1, 500 mg L-1 CV dye concentration, and pH 6.9. The interaction between the CV molecule and the PAA@TiO2 nanocomposite surface was studied using Monte Carlo (MC) and molecular dynamics (MD) simulations. The negative value of the Eads (- 586.56 kcal mol(-1)) of the CV molecules onto the PAA@TiO2 nanocomposite surface gives credibility to the experimental results. All obtained results showed that PAA@TiO2 hybrid polymer nanocomposite could be an alternative adsorbent for crystal violet dye removal from wastewater.