Resourceful exploitation of sedimentary clay: Designing a dual-chambered borosilicate glass reactor system for the efficient treatment of malachite green and phenol through SCRT adsorption and 5%Fe@SRCT catalysis via CWPO, with evaluation of seed germination and fish survival.

This study presents an innovative double-walled borosilicate glass reactor system for the efficient treatment of liquid and gaseous wastewater. This reactor system allows precise temperature control, continuous pH monitoring, and controlled dosing of reagents to optimize reaction conditions. Detailed characterization was carried out by X-ray diffraction (XRD), Fourier transforms infrared spectroscopy (FTIR), BET (specific surface area) analysis, point of zero charge (PZC), and scanning electron microscopy (SEM) for the SCR, SCRT, and 5%Fe@SCRT materials. For Malachite Green adsorption, SRCT demonstrated a maximum adsorption capacity of 39.78 ± 0.5 mg/g using the Langmuir isotherm model and followed pseudo-second-order kinetics. Optimum conditions for adsorption were found to be: an initial concentration of 50 ppm, an adsorbent dosage of 1 g/l, a pH of 8.5, and a temperature of 50°C. For the catalytic oxidation of phenol, 5%Fe@SRCT achieved a remarkable removal rate of 99.9 ± 0.1% under optimum conditions (50 ppm phenol, 1 g/l catalyst dosage, pH 3.5, H2O2 concentration 8.7 mM, and temperature 70°C). Intermediates identified during the reaction included hydroquinone, benzoquinone, catechol, and resorcinol, with degradation occurring over a 60-minute reaction period. The 5%Fe@SCRT material showed excellent reusability in the removal of phenol by catalytic oxidation, with no significant loss of efficiency over three cycles, while the SRCT underwent three cycles of regeneration for the adsorption of Malachite Green. Scavenger tests confirmed the involvement of hydroxyl radicals in the catalytic oxidation process. In addition, fish survival tests after catalytic oxidation of phenol by 5%Fe@SRCT showed no impact on fish, underlining the environmental safety of this process. In addition, germination tests after decolorization of MG by SRCT demonstrated a good effect with no negative impact, reinforcing the ecological value of this innovative technology. These results highlight the innovative use of SCRT and 5%Fe@SCRT as versatile materials for environmental remediation, exploiting their effective adsorption capacities and efficient catalytic oxidation performance within the proposed double-walled borosilicate glass reactor system. PRACTITIONER POINTS: The study demonstrates the effectiveness of an innovative reactor system employing SRCT adsorbent and Fe@SRCT catalyst for efficient removal of malachite green and phenol from wastewater. Environmental impact assessment, including seed germination and fish survival evaluation, validates the method's eco-friendly potential. Implementation of this approach could significantly contribute to sustainable water treatment practices.

Immobilization of silver-loaded graphene oxide (Ag-GO) on canvas fabric support for catalytic conversion of 4 nitrophenol.

Due to the rising human population and industrialization, harmful chemical compounds such as 4-nitrophenol (4-NP) and various dyes are increasingly released into the environment, resulting in water pollution. It is essential to convert these harmful chemicals into harmless compounds to mitigate this pollution. This research focuses on synthesizing a novel heterogeneous catalyst using modified canvas fabric (CF) decorated with silver metal nanoparticles on graphene oxide nanosheets (Ag-GO/CF). The process involves coating the fabrics (CF) with graphene oxide (GO) nanosheets through sonication. Subsequently, silver nanoparticles are deposited in situ and reduced on the GO surface, resulting in the formation of the Ag-GO/CF composite. Various physicochemical characterizations were conducted to examine the interfacial interactions between CF, GO, and Ag nanoparticles. The catalytic activity of the nanocomposite was assessed by hydrogenating 4-nitrophenol (4-NP) to 4-aminophenol (4-AP) in the presence of sodium borohydride (NaBH4). The results showed that the 10%Ag-5%GO/CF with a surface of 6 cm2 (3 × 2 cm) exhibited the highest catalytic activity, achieving a reduction efficiency of over 96% in 5 min. The 4-NP reduction reaction rate was well-fitted with a pseudo-first-order kinetics model with an apparent reaction rate constant (Kapp) of 0.676 min-1. Furthermore, the Ag-GO/CF composite demonstrated remarkable stability over successive cycles, with no noticeable decrease in its catalytic activity, suggesting its promising application for long-term chemical catalytic processes. This synthesized composite can be easily added to and removed from the reaction solution while maintaining high catalytic performance in the reduction of 4-NP, and it could be beneficial in avoiding problems related to powder separation.

Adsorption studies of isoxazole derivatives as corrosion inhibitors for mild steel in 1M HCl solution: DFT studies and molecular dynamics simulation.

CONTEXT: The corrosion of mild steel is a significant issue in various industries, prompting the need for effective corrosion inhibitors. This study focuses on understanding the corrosion inhibition properties of organic compounds derived from isoxazole, namely series Iso(a), Iso(b), Iso(c), Iso(d), Iso(e), Iso(f), Iso(g), and Iso(h), which could have implications for materials science and industrial applications. By investigating the influence of different substitutions on these compounds, valuable insights can be gained into designing better corrosion inhibitors for practical use. METHODS: Theoretical studies were conducted using density functional theory (DFT) with the B3LYP functional and the 6-31G (d,p) basis set. These calculations enabled the evaluation of various parameters including frontier orbital energies (EHOMO, ELUMO), energy gap (∆E), electronegativity (χ), absolute hardness (η), softness (σ), fraction of transferred electrons (∆N), as well as local properties such as natural atomic populations and Fukui indices. Additionally, molecular dynamics simulations were performed to study the adsorption behavior of the inhibitors on the surface of Fe (110). The simulations were conducted using Materials Studio version 8.0 software package using COMPASS force field to understand the impact of different functional groups on the inhibitors before and after adsorption on the iron surface.

Copper nickel co-impregnation of Moroccan yellow clay as promising catalysts for the catalytic wet peroxide oxidation of caffeine.

Copper and nickel were incorporated into the prepared yellow clay (YC) using one of the most widely used methods, for the preparation of heterogeneous catalysts, which is the wet impregnation method (IPM) and its application as a heterogeneous catalyst for Caffeine (CAF). Several catalysts Cooper Nickel's Catalysts (Cu-Ni) were applied to the yellow clay with different weight ratio of Cu and Ni, in order to explore the role of both metals during the catalytic oxidation process CWPO. Furthermore, the CuNi-YC catalysts, were characterized by X-ray diffraction (XRD), X-ray fluorescence (XRF), Langmuir's surface area, Brunauer Emmett Teller (BET), scanning electron microscope (SEM) and inductively Coupled Plasma-Atomic Emission Spectrometry (ICP-AES), so as to get a better understanding concerning the catalytic activity's behavior of CuNi-YC catalysts. The optimization of the catalytic activity's effects on the different weight ratios of Cu and Ni, temperature and H2O2 were also examined, using Box-Behnken Response Surface Methodology RSM to enhance the CAF conversion. The analysis of variances (ANOVA) demonstrates that Box-Behnken model was valid and the CAF conversion reached 86.16%, when H2O2 dosage was equal to 0.15 mol.L-1, copper impregnated (10%) and temperature value attained 60 °C. In addition, the regeneration of catalyst's cycles under the optimum conditions, indicated the higher stability up to four cycles without a considerable reduction in its conversion performance.

Role of Fe(III) in aqueous solution or deposited on ZnO surface in the photoassisted degradation of rhodamine B and caffeine.

Iron (III) was incorporated, to the surface of a synthesized ZnO, using two nominal molar percentages of Fe (III): 1% and 5% Fe relative to ZnO. Samples dried and calcined at 200 °C and 400 °C for 2 h, were characterized by XRD, XPS, XRF, N2-adsorption-BET and (UV-vis)-DRS. Photocatalytic activities of the catalysts were assessed based on the degradation of rhodamine B (RhB) and caffeine (CAF) in aqueous solution under two irradiation conditions: UV and visible light illumination. Prior to the photocatalytic tests, the interaction of each one of the substrates with either Fe(III) or Fe(II) was studied in homogeneous medium under UV-illumination and oxygenated environment. It was found that Fe (III) can play an important role in homogeneous media in the photoassisted degradation, both of rhodamine B and caffeine, while Fe (II) does not exert a relevant role in the photoassisted degradation of the referred substrates. Fe-ZnO samples display similar or poorer performance than pure ZnO in the presence of UV light for both studied substrates. The phenomenon can be attributed to the formation of either goethite or ZnFe2O4 at the ZnO surface where the coupled Fe3+/Fe2+ can act as recombination centers for the photogenerated charges. On the contrary, all Fe-ZnO samples showed enhanced photocatalytic activity under visible illumination which seems to be independent of the iron content. In this context, the mechanisms for photoassisted degradation of both the substrates in homogeneous medium and photocatalytic degradation are discussed, as well as the role of Fe in the photodegradation processes.

Characterization and Quantification of Heavy Metals in Oued Sebou Sediments.

The discharge of large quantities of industrial and domestic effluents into the estuaries, with or without treatment, has led to an increase in the amount of micropollutants present in the sediments. In this study, we have assessed the quality of sediments of Sebou river studying the physicochemical parameters, percentage of organic matter, mineralogy, and trace levels of metal elements trapped in the sample sediments of Sebou river. The sediments samples were collected from the upstream of Fez river, confluence between the Fez river and the Sebou river, Ain Nokbi river, and edge of Sebou river, where wastewaters from the city of Fez are discharged. The sediments samples were characterized by scanning electron microscopy, X-ray diffraction, and Fourier Transform Infrared Spectroscopy, while trace levels of metallic elements, Calcium, Zinc, Copper, Cadmium, Iron, and Nickel, were determined by the ICP-AES analysis. The obtained results show that there is a significant change in the values of the studied metals which is probably due to industrial effluents. Indeed, the metal content in the sediments reaches particularly high values exceeding the limit recommended by WHO. These results suggested that the pollution by metallic industrial effluents discharged without treatments poses potential threat to the receiving rivers and may represent a danger for humans which are exposed to pollutants due to the numerous uses of such river waters.