Theoretical modeling of sorption of metal ions on amino-functionalized macroporous copolymer in aqueous solution

Suručić, Ljiljana; Janjić, Goran V.; Rakić, Aleksandra; Nastasović, Aleksandra B.; Popović, Aleksandar; Milčić, Miloš K.; Onjia, Antonije

doi:10.1007/s00894-019-4053-0

Cited by 3 publications

(4 citation statements)

References 45 publications

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“…Our previous works demonstrated that calculating the coordination bond energy for the chemisorption of metal ions on the polymer gives excellent agreement with the experimentally determined maximum sorption capacities [ 27 , 67 ]. Quantum chemical modeling of physisorption and calculation of the energy of non-covalent binding proved to help explain the binding mechanism of oxyanions to the polymer and the affinity of individual oxyanions for the polymer [ 21 ].…”

Section: Resultssupporting

confidence: 53%

“…Cr(III) oxyanion, which is less toxic than Cr(VI), binds to N atoms directly by forming covalent bonds [ 66 ]. The sorption of Cu(II), Co(II), Cd(II), and Ni(II) ions by amino-functionalized chelating macroporous copolymers poly(GMA- co -EGDMA)-amine and sorption selectivity of the subject copolymers were successfully quantified experimentally and modeled by quantum chemical calculations [ 27 , 31 , 67 ]. According to these results, coordination of the diethylenetriamine group from Fe 3 O 4 @APTMS/PGME-deta to the Cr(III) ion can be expected.…”

Section: Resultsmentioning

confidence: 99%

“…Multifunctional, highly cross-linked macroporous glycidyl methacrylate-based non-magnetic and magnetic copolymers were successfully applied for decades in the sorption of heavy and precious metals, organic compounds, radionuclides, etc. [ 26 , 27 , 28 ].…”

Section: Introductionmentioning

confidence: 99%

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Speciation of Hexavalent Chromium in Aqueous Solutions Using a Magnetic Silica-Coated Amino-Modified Glycidyl Methacrylate Polymer Nanocomposite

et al. 2023

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A new magnetic amino-functionalized polymeric sorbent based on glycidyl methacrylate was synthesized and used in the separation of chromium Cr(VI) oxyanions sorption from aqueous solutions in a static batch system. The kinetic and isothermal parameters of the sorption process were determined. The experimental data were best fitted by a pseudo-second-order model with R2 = 0.994 and χ2 = 0.004. The sorption process of Cr(VI) removal by amino-functionalized sorbent was controlled by both intraparticle diffusion and liquid film diffusion. The equilibrium results showed that the sorption process is best described by the Freundlich model, followed closely by the Sips isotherm model, with a maximum sorption capacity of 64 mg/g. Quantum chemical modeling revealed that the sorption sites on the sorbent surface are fragments with diethylenetriamine and aminopropyl silane groups that coated the magnetic nanoparticles. The calculations showed that Cr(VI) oxyanions (Cr2O72−, CrO42− and HCrO4−) bind to both sorption sites, with diethylenetriamine centers slightly favored. The X-ray photoelectron spectroscopy (XPS) spectra demonstrate that the chromium bound to the sorbent in the form of Cr(III), indicating that the Cr(VI) can be converted on the surface of the sorbent to a less harmful form Cr(III) due to the sorbent’s chemical composition.

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Section: Resultssupporting

confidence: 53%

Section: Resultsmentioning

confidence: 99%

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Speciation of Hexavalent Chromium in Aqueous Solutions Using a Magnetic Silica-Coated Amino-Modified Glycidyl Methacrylate Polymer Nanocomposite

et al. 2023

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“…Several studies showed that amino-functionalized GM-based copolymers possess a significant affinity for the sorption metal ions [7,8]. Moreover, these polymers are characterized by thermal and chemical stability [9,10].…”

Section: Introductionmentioning

confidence: 99%

Recovery of Vanadium (V) Oxyanions by a Magnetic Macroporous Copolymer Nanocomposite Sorbent

Suručić

Tadić

Janjić

et al. 2021

Metals

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An amino-functionalized magnetic macroporous copolymer of glycidyl methacrylate (GM) and ethylene glycol (E) dimethacrylate (m-poly(GME)-deta) was synthesized, fully characterized, and used to investigate the adsorption of vanadium (V) oxyanions from aqueous solutions (Ci = 0.5 mM) in a batch system at room temperature (298 K). Pseudo-first-order (PFO), pseudo-second-order (PSO), Elovich, and intra-particle diffusion (IPD) models were used to analyze the kinetic data. The study showed that sorption is rapid, i.e., the sorption half-time is approximately one minute. Initially, the sorption process primarily involved surface sorbent particles, and it was best described by the PSO model. However, after saturation of the surface active sites is attained, the sorption rate decreases significantly because of limitations of the diffusion rate, which is then primarily controlled by the IPD process. The sorption process is favorable in the pH range of 3–6 due to the strong electrostatic interactions between the absorption centers of copolymer and vanadium (V) oxyanions. In the stated pH range, deta absorption centers with two and three protonated N atoms are in equilibrium as studied by quantum chemical modeling. Among V(V) species present in diluted aqueous media, the adsorption of H2VO4− ions dominates.

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Methacrylate-Based Polymeric Sorbents for Recovery of Metals from Aqueous Solutions

Nastasović

Marković

Suručić

et al. 2022

Metals

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The industrialization and urbanization expansion have increased the demand for precious and rare earth elements (REEs). In addition, environmental concerns regarding the toxic effects of heavy metals on living organisms imposed an urgent need for efficient methods for their removal from wastewaters and aqueous solutions. The most efficient technique for metal ions removal from wastewaters is adsorption due to its reversibility and high efficiency. Numerous adsorbents were mentioned as possible metal ions adsorbents in the literature. Chelating polymer ligands (CPLs) with adaptable surface chemistry, high affinity towards targeted metal ions, high capacity, fast kinetics, chemically stable, and reusable are especially attractive. This review is focused on methacrylate-based magnetic and non-magnetic porous sorbents. Special attention was devoted to amino-modified glycidyl methacrylate (GMA) copolymers. Main adsorption parameters, kinetic models, adsorption isotherms, thermodynamics of the adsorption process, as well as regeneration of the polymeric sorbents were discussed.

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Theoretical modeling of sorption of metal ions on amino-functionalized macroporous copolymer in aqueous solution

Cited by 3 publications

References 45 publications

Speciation of Hexavalent Chromium in Aqueous Solutions Using a Magnetic Silica-Coated Amino-Modified Glycidyl Methacrylate Polymer Nanocomposite

Speciation of Hexavalent Chromium in Aqueous Solutions Using a Magnetic Silica-Coated Amino-Modified Glycidyl Methacrylate Polymer Nanocomposite

Recovery of Vanadium (V) Oxyanions by a Magnetic Macroporous Copolymer Nanocomposite Sorbent

Methacrylate-Based Polymeric Sorbents for Recovery of Metals from Aqueous Solutions

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