Design of an amino-functionalized chelating macroporous copolymer poly(GMA-co-EGDMA) for the sorption of Cu(II) ions

Polymer-based, highly porous nanocomposites with functionalized ligands attached to the core structure are extremely efficient in the detection, removal and recovery of metals through the process of sorption. Quantum-chemical models could be helpful for sorption process analyses. The sorption of Cu(II) ions by amino-functionalized chelating macroporous copolymers poly(GMA-co-EGDMA)-amine and sorption selectivity of the subject copolymers, ethylenediamine (en), diethylenetriamine (dien) and triethylenetetramine (trien), were successfully modelled by quantum chemical calculations. Considering the crystal structures from CSD and experimental conditions during the formation of metal complexes, the most frequent mononuclear complexes are those with the tetradentate teta ligand, while binuclear complexes are formed when the metal ion is in large excess. Although the en-copolymer was the most effective functionalized one, higher maximum sorption capacities (Qmax) were observed for the dien- and trien-copolymers, due to their abilities to form binuclear complexes. The enthalpy term has the greatest contribution to the total Gibbs energy change of reaction for the formation of mononuclear Cu(II) complexes (ΔGaq), while the solvation energy of the reaction has the greatest contribution in the formation of binuclear complexes. The results of the study indicate that small amines with the ability to form binuclear complex are the best choice for functionalization of the considered copolymer

Tеоријска стратегија за производњу полиморфа V карбамазепина

The anticonvulsant drug carbamazepine has over 50 known forms, including 5 polymorphs, each with a different crystal structure and physical properties, which can significantly impact pharmaceutical formulation, absorption, bioavailability, and drug efficacy.Антиконвулзивни лек карбамазепин има преко 50 познатих форми, укључујући 5 полиморфа, при чему сваки од њих има различиту кристалну структуру и физичка својства, што може имати значајан утицај на фармацеутску формулацију, апсорпцију, биолошку расположивост и ефикасност лека

Hexavalent chromium sorption by glycidyl methacrylate based copolymer

Macroporous crosslinked poly(glycidyl methacrylate-co-ethylene glycol dimethacrylate), PGME, was synthesized by suspension copolymerization and functionalized with diethylene triamine [PGME-deta]. Competitive sorption kinetics was studied from multicomponent Cr(VI), Cu(II), Co(II) and Cd(II) solution. Two kinetic models (the pseudo-first and the pseudo-second order) were used to determine the best-fit equation for the metals sorption by PGME-deta

Comparative study of W(VI) and Cr(VI) oxyanions binding ability with magnetic polymer nanocomposite

Magnetite particles are widely used as sorbents for removal of heavy metal ions, organic dyes, drug delivery, cell labelling, magnetic resonance imaging, sensing, etc. [1,2]. Also, the functionalization of polymer by specific ligands enables customizing these composites for specific applications. Magnetic crosslinked macroporous copolymer of glycidyl methacrylate, GMA, and ethylene glycol dimethacrylate, EGDMA, mPGME was synthesized by suspension copolymerisation of GMA and EGDMA, in the presence of inert component (mixture of cyclohexanol and aliphatic alcohol) [3] and magnetite nanoparticles coated with (3-aminopropyl)trimethoxysilane (APTMS) as silanization agent. The sample was additionally functionalized with diethylene triamine mPGME-deta. Magnetic amino-functionalized copolymer was fully characterized in terms of its structural and magnetic properties using: FTIR analysis, SEM/EDX, XRD and SQUID magnetometry. Synthesized magnetic macroporous copolymer mPGME-deta was tested as sorbent of W(VI) and Cr(VI) oxyanions from diluted aqueous solutions (Ci=25 ppm) in a batch system, under uncompetitive conditions, at room temperature (T=25 °C). The oxyanions concentrations in solution after 60 min of sorption, were determined by inductively coupled plasma atomic emission spectroscopy (ICP-AES). The maximal experimental values of oxyanions sorption capacities (Qmax μmol/g) were compared with theoretically values determined by theoretical modeling, using quantum-chemical methods: Density Functional Theory (DFT), statistic analysis of the crystal structure extracted from the Cambridge Structural Database (CSD) and by implicit solvation model (SMD). It was found that the process is spontaneous and exothermic, and that the active sites of magnetic copolymer sorbent are amino groups (of diethylenetriamine and APTMS) which forms electrostatic interactions with oxianions W(VI) and Cr(VI)

One-step Synthesis and Characterization of a New Magnetic Polyacrylate Nanocomposite with Aniline

Poster presented at: 13th International Scientific Conference Contemporary Materials 2020, Banja Luka, 11th September, 2020Abstract: [https://cer.ihtm.bg.ac.rs/handle/123456789/3690

Chelating copolymers: metal sorption kinetics and reusability

Macroporous crosslinked poly(glycidyl methacrylate-co-ethylene glycol dimethacrylate), PGME, was synthesized by suspension copolymerization and functionalized with diethylene triamine, PGME-deta. Kinetics for Au(III), Ag(I) and Cu(II) sorption, as well as the possibility of repeated recovery of Cu(II) ions was investigated.Physical chemistry 2008 : 9th international conference on fundamental and applied aspects of physical chemistry; Belgrade (Serbia); 24-28 September 200

Intraparticle diffusion and adsorption of heavy metals onto porous polymer

Intraparticle diffusion kinetic model (IPD) was used to elucidate the influence of macroporous glycidyl methacrylate (GMA) and ethylene glycol dimethacrylate (EGDMA) copolymer (PGME) with attached diethylene triamine (PGME-deta) on the competitive Cu(II), Cd(II), Co(II) and Ni(II) ions sorption from aqueous solutions. Surface sorption was examined by SEM-EDS analysis.Physical chemistry 2016 : 13th international conference on fundamental and applied aspects of physical chemistry; Belgrade (Serbia); 26-30 September 201

Efficient separation of Tc-99 from aqueous solution using pinecone activated carbon

Sorption of radioactive 99Tc-pertechnetate onto activated carbon prepared from pinecones was investigated. The parameters of contact time and Tc-99 concentration were varied. It was established that the sorption half-life, t1/2, was very short ~ 2.2 min, thus making this sorbent an excellent candidate for immediate pollution remediation, which is very important in the case of nuclear accidents. The kinetic data were found to follow closely the pseudosecond- order (PSO) kinetic model. Boyd model established the sorption dependence only on film diffusion. The partitioning/distribution coefficient, Kd, attained was 2729 cm3 g-1. The equilibration time was 3 h at room temperature (T=298 K)

Thermodynamcis of molybdenum adsorption onto porous copolymer

Macroporous glycidyl methacrylate and ethylene glycol dimethacrylate copolymer functionalized with diethylene triamine, PGME-deta, was tested as molybdate ion adsorbent from aqueous solutions. Kinetics of Mo(VI) sorption was investigated in batch static experiments, in the temperature range 298-343 K. The temperature rise promotes Mo(VI) removal, with the maximum experimental adsorption capacity of 585 mg g-1 at 343 K. Thermodynamic parameters revealed spontaneous and endothermic nature of Mo(VI) adsorption onto PGME-deta.Physical chemistry 2012 : 11th international conference on fundamental and applied aspects of physical chemistry; Belgrade (Serbia); 24-28 September 201

Study of isothermal, kinetic, and thermodynamic parameters for sorption of vanadium

This study evaluated the equilibrium, kinetics, and thermodynamics of vanadium sorption from aqueous solution onto nanocomposite functionalized with diethylene triamine in batch conditions. The effects of temperature, solution pH, and initial concentration of vanadium were examined. The maximum sorption capacity of vanadium on the tested sorbent was achieved at pH 6. The sorption capacity increased with increasing temperature and initial concentration. The equilibrium adsorption data were analyzed using Langmuir, Freundlich, Temkin, Jovanovic, Toth, Sips, Khan, and Redlich- Peterson isotherm models. The kinetics data were studied using pseudo-first-order, pseudo-secondorder, the fractional power, Elovich, and Avrami models. A non-linear fitting method was used to compare the best fitting of the equilibrium and kinetic data. The sorption equilibrium data were best represented by the Langmuir, Khan, Toth, and Redlich–Peterson isotherms. The adsorption kinetics was estimated to follow the pseudo-second-order kinetic model. The mechanism of vanadium sorption was analyzed with intra-particle, Bangham, Boyd, and liquid film diffusion models. It was observed that the sorption process was controlled by the film-diffusion as well as the pore-diffusion. Thermodynamic parameters (change of standard enthalpy (ΔH°), standard entropy (ΔS°), and standard free energy (ΔG°)) suggested that the sorption of vanadium onto functionalized nanocomposite was a spontaneous and endothermic process