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1.
Langmuir ; 39(33): 11510-11519, 2023 Aug 22.
Article in English | MEDLINE | ID: mdl-37277942

ABSTRACT

The adsorption efficiency of commercial activated carbon toward ibuprofen (IBU) was investigated and described using the adsorption dynamic intraparticle model (ADIM). Although the adsorption capacity of activated carbon has been widely studied, the kinetic models used in the literature are simplified, treating adsorption kinetics with pseudo-kinetic approaches. In this paper, a realistic model is proposed, quantitatively describing the influence of the main operation parameters on the adsorption kinetics and thermodynamics. The thermodynamic data were interpreted successfully with the Freundlich isotherm, deriving an endothermic adsorption mechanism. The system was found to be dominated by the intraparticle diffusion regime, and the collected data allowed the determination of the surface activation energy (ES = 60 ± 7 kJ/mol) and the fluid-solid apparent activation energy (EA = 6 ± 1 kJ/mol). The obtained parameters will be used to design adsorption columns, allowing the scale-up of the process.

2.
Molecules ; 27(21)2022 Oct 25.
Article in English | MEDLINE | ID: mdl-36364056

ABSTRACT

The catalytic properties of a simple iron-containing MOF based on fumaric acid, MIL-88A, were investigated in the ketalization of ethyl levulinate with glycerol. The corresponding product is a component of current interest as a renewable building block for many uses. Under the following conditions (solventless, 120 °C, stoichiometric ratio, 1% cat.), the reaction proceeds with good yields (85%), and the catalyst can be recovered and recycled without loss of activity, despite some changes in the crystalline lattice and morphology. Moreover, the residual iron content in the product is in the order of units of ppm (≤2), which demonstrates the robustness of the MOF under the reaction conditions.


Subject(s)
Metal-Organic Frameworks , Catalysis , Glycerol , Iron/chemistry , Metal-Organic Frameworks/chemistry
3.
Environ Sci Pollut Res Int ; 29(51): 77992-78008, 2022 Nov.
Article in English | MEDLINE | ID: mdl-35688985

ABSTRACT

In this work, the effective adsorption and the subsequent photodegradation activity, of TiO2 brookite nanoparticles, for the removal of anionic dyes, namely, Alizarin Red S (ARS) and Bromocresol Green (BCG) were studied. Batch adsorption experiments were conducted to investigate the effect of both dyes' concentration, contact time, and temperature. Photodegradation experiments for the adsorbed dyes were achieved using ultraviolet light illumination (6 W, λ = 365 nm). The single adsorption isotherms were fitted to the Sips model. The binary adsorption isotherms were fitted using the Extended-Sips model. The results of adsorption isotherms showed that the estimated maximum adsorption uptakes in the binary system were around 140 mg g-1 and 45.5 mg g-1 for ARS and BCG, respectively. In terms of adsorption kinetics, the uptake toward ARS was faster than BCG molecules in which the equilibrium was obtained in 7 min for ARS, while it took 180 min for BCG. Moreover, the thermodynamics results showed that the adsorption process was spontaneous for both anionic dyes. All these macroscopic competitive adsorption results indicate high selectivity toward ARS molecules in the presence of BCG molecules. Additionally, the TiO2 nanoparticles were successfully regenerated using UV irradiation. Moreover, molecular dynamics computational modeling was performed to understand the molecules' optimum coordination, TiO2 geometry, adsorption selectivity, and binary solution adsorption energies. The simulation energies distribution exhibits lower adsorption energies for ARS in the range from - 628 to - 1046 [Formula: see text] for both single and binary systems. In addition to that, the water adsorption energy was found to be between - 42 and - 209 [Formula: see text].


Subject(s)
Nanoparticles , Water Pollutants, Chemical , Adsorption , Bromcresol Green , Molecular Dynamics Simulation , BCG Vaccine , Coloring Agents , Kinetics , Water , Hydrogen-Ion Concentration , Thermodynamics , Solutions
4.
J Environ Manage ; 268: 110713, 2020 Aug 15.
Article in English | MEDLINE | ID: mdl-32510447

ABSTRACT

In this study, the adsorptive removal of Zn2+, Cu2+, and Cr3+ metal ions from aqueous solutions onto NiO-MgO silica-based nanoparticles (SBNs) has been studied. The effect of several factors such as solution pH, initial concentration, contact time, and coexisting ions on the adsorbed amounts of single Zn2+, Cu2+, and Cr3+ ions have been investigated within an array of batch mode experiments. Interestingly, the adsorption of Cr3+ at high and low concentrations was very fast, and equilibrium was achieved within 2 min compared to Cu2+ and Zn2+ which needed 30 and 60 min to reach equilibrium, respectively. The adsorption equilibrium data fitted very well with the Sips adsorption isotherm model for Cu2+ and Zn2+, and the BET model for Cr3+ ions. The maximum uptake was maintained at 7.23, 13.76, 41.36 (ions per nm2) for Zn2+, Cu2+, and Cr3+, respectively. This equals to 37.69, 69.68, 209.51 (mg adsorbate per g adsorbent), respectively, showing the promising industrial application of those SBNs. Moreover, the adsorption uptake results increase with increasing the pH in the range of 7.0-11.0 for all investigated metal ions. The thermodynamic parameters such as the changes in Gibbs free energy (ΔGo), enthalpy (ΔHo), and entropy (ΔSo) were determined. The adsorption of Zn2+, Cu2+, and Cr3+ was spontaneous, endothermic, and physical for Cu2+ and Cr3+, while exothermic and chemical for Zn2+. The regeneration and reusability studies have proven that the NiO-MgO SBNs can be employed for the adsorptive of these metals repeatedly without impacting the adsorption capacity indicating their sustainability.


Subject(s)
Metals, Heavy , Nanoparticles , Water Pollutants, Chemical , Adsorption , Hydrogen-Ion Concentration , Kinetics , Magnesium Oxide , Silicon Dioxide , Solutions , Thermodynamics , Zinc
5.
RSC Adv ; 9(61): 35483-35498, 2019 Oct 31.
Article in English | MEDLINE | ID: mdl-35528094

ABSTRACT

The competitive adsorption of cationic and anionic model molecules; methylene blue (MB) and acid red 88 (AR88), respectively, in aqueous solutions onto NiO and/or MgO SBNs was studied. Adsorption isotherms, kinetics and pH effect were investigated in batch modes. Computational modeling was conducted on Acclerys Material Studio for MB and AR88 adsorption. pH study showed that the adsorption is strongly pH dependent, increases for MB while decreases for AR88 with increasing the pH from 4 to 11. Isotherm studies revealed that the Sips model was the best fit for both molecules in single cases, and thus the Extended-Sips model for the binary systems. The kinetics for the binary systems were well-described by the external mass transfer model; thus, film diffusion is the most dominant in the adsorption of both organic onto the SBNs. The adsorption uptakes in binary systems exceed 130 mg g-1 for AR88 (167.7 MgO-SBNs, 132.93 NiO-SBNs, and 178.5 mg g-1 NiO-MgO-SBN), while it reached an uptake of 76.2 MgO-SBNs, 81.5 NiO-SBNs, and 94.7 mg g-1 NiO-MgO-SBNs for MB within the time needed to reach equilibrium (10 min). The adsorption of these two molecules in binary systems showed a synergistic effect onto the three types of SBNs, that enhanced the adsorption uptakes. Computational modeling confirmed the synergistic effect, the adsorption energy of binary systems was lower than that in single systems. Regeneration study was conducted over four adsorption cycles to confirm the sustainability of SBNs. They were stable under thermal oxidation at 400 °C, without any impact on the adsorption capacity.

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