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Water softening is a treatment process required to manage calcium and magnesium cations in water streams. Moreover, detection of such cations in water samples using simple portable techniques is required for monitoring and inspection of water quality. Nanocomposites can provide solutions for such multiple challenges while showing high performance and cost-effectiveness. In this work, the Cu-Fe layered double hydroxides (LDH)/cysteine-based electrodes were synthesized and are used as active materials for the electrochemical detection of calcium ions. The electrode materials were characterized using XRD, FTIR, and SEM. The synthesized electrode showed a limit of detection and a limit of quantification of 0.21 µM and 0.73 µM, respectively. The concentration range of detection was 5–30 µM. The intermolecular interactions of Ca ions with cysteine-free LDH and cysteine-LDH were investigated by Monte Carlo and molecular dynamics simulations. Monte Carlo simulations revealed that the (001) surface is favored for Ca(II) adsorption within the LDH structure with an energy of adsorption equals to 372.46 kcal/mol. This work paves the road towards developing cost-effective disposable electrode based on portable electrochemical detection of Ca ions for on-site water softening applications. [ABSTRACT FROM AUTHOR]

Pharmaceuticals and personal care products (PPCPs) have been increasingly used all over the world and they have been reported on water cycle and cause contamination. Among these pharmaceuticals is caffeine (CAF). In this work, CAF removal from aqueous samples by metal–organic framework (UIO-66) and perovskite (La0.7Sr0.3FeO3) was achieved. Detailed studies on the preparation of MOFs and perovskite oxides compounds have been presented. Extensive characterizations such as X-Ray diffraction (XRD), field emission scanning electron microscope (FESEM), Fourier transform infrared spectra (FT-IR), N2 adsorption–desorption isotherms were also carried out to assure proper formation and to better understand the physico-chemical behavior of the synthesized samples before and after adsorption. Batch experiments of CAF adsorption onto both MOFs and perovskite were performed to compare the effectiveness of both materials on the removal competence of the CAF residue at different conditions including the effect of pH, initial concentration, and contact time. It was observed that the adsorption capacity of CAF by MOF increased with increasing acidity. On the other hand, the adsorption capacity of perovskite is stable in pH 4–10. The maximum adsorption capacities of UiO-66 and perovskite toward CAF are high as 62.5 mg g−1 and 35.25 mg g−1, respectively. Equilibrium isotherms were investigated by numerous models: Langmuir, Freundlich, Temkin, Redlich-Peterson, Sips, Langmuir-Freundlich, Toth, Kahn, Baudu, and Fritz Schlunder. Moreover, the kinetics of the CAF@MOF and CAF@Perovskite systems have been studied by five kinetic models (Pseudo-1st -order (PFO), Pseudo-2nd -order (PSO), Mixed 1st, 2nd-order, Intraparticle diffusion and Avrami). The best model described the adsorption of CAF onto both of MOF and perovskite was the mixed 1st, 2nd-order model. The metal–organic framework and perovskite were applied to quickly extract CAF from water samples successfully. The maximum removal percentage obtained for MOF and perovskite was 0.89% and 0.94% respectively within 30 min contact time which suggests that these materials are considered as promising adsorbents for CAF. [ABSTRACT FROM AUTHOR]

Industrial by-products; have received a lot of attention as a possible precursor for cement and/or concrete production for a more environmentally and economically sound use of raw materials and energy sources. Geopolymer is a potentially useful porous material for OPC binder applications. The use of industrial wastes to produce a greener geopolymer is one area of fascinating research. In this work, geopolymer pastes were developed using alkali liquid as an activator and metakaolin (MK), alumina powder (AP), silica fume (SF), and cement kin dust (CKD) as industrial by-products. Several geopolymer samples have been developed. Research has been carried out on its processing and related physical and mechanical properties through deep microstructure investigation. The samples were cured in water by immersion with relative humidity (95 ± 5%), and at room temperature (~ 19–23 °C) prior to being tested for its workability and durability. The effect of the different composition of precursors on water absorption, density, porosity, and the compressive strength of the prepared geopolymers have been investigated. The results showed that the compressive strength of geopolymers at 28 days of curing is directly proportional to the ratio of the alkali liquid. Ultimately, the best geopolymer paste mixture (GPD1 and GPD2), was confirmed to contain (15% of CKD + 85% MK and Alumina solution (55 wt%)) and (25% of CKD + 75% MK + Alumina solution (55 wt%)) respectively, with 73% desirability for maximum water absorption (~ 44%) and compressive strength (4.9 MPa). [ABSTRACT FROM AUTHOR]