بحوث سكوبس — علاء ضاري جواد البياتي

Developing sophisticated electrocatalysts is crucial in capturing chemically unreactive CO2 and transforming it into valuable products like fuel. This is essential for effectively tackling the issues of energy crisis and greenhouse gas emissions while maintaining considerable sustainability standards. Nevertheless, effectively managing the selectivity of products while maintaining a small overpotential remains a challenging task. Present work utilized density functional theory (DFT) for studying electrocatalytic potential of various single transition metals (TMs), such as cobalt, iron, and manganese, in process of carbon dioxide reduction reaction (CO2RR). Effectiveness of CO2RR was evaluated for each TM by analyzing their interaction with reaction intermediates (CHO, CO, and COOH) when incorporated into biphenyl monolayer (BPM) systems. Based on the analysis of ΔE values and barriers, it was determined that incorporating Fe into the biphenyl monolayer system is the most efficacious approach for the CO2RR to generate methane. This configuration achieves an exceptionally low overpotential potential (UL) of −0.36 V. In hydrogen evolution reaction (HER), it was observed that CO2 exhibits a higher affinity for occupying the activation site on Fe-BPM compared to H2. This difference in adsorption energy (Ead) (−0.94 eV for CO2 vs. −0.43 eV for H2) highlights their distinct behaviors. Additionally, Fe-BPM effectively suppresses the HER during the CO2RR process, as indicated by the HER's UL of −0.43 V. Findings of present study are anticipated to provide a novel direction in the advancement of electrocatalysts with low potential, while simultaneously exhibiting remarkable selectivity and activity for CO2RR. © 2024 Hydrogen Energy Publications LLC

Developing highly efficient adsorbents is essential for overcoming diverse environmental and industrial challenges, especially in wastewater treatment and CO2 capture. In this work, palm tree wood–derived activated carbon (AC) was optimized for these applications using Response Surface Methodology (RSM), examining how various synthesis conditions and activators influence performance. The synthesis parameters, including temperature, activation time, and activator concentration, were optimized to achieve high surface area and porosity, which are critical for efficient adsorption processes. Additionally, the impact of various activators, including potassium hydroxide (H3PO4) and potassium thiosulfate (K2S2O3), was analyzed. The optimized AC was extruded for use in a continuous wastewater treatment system, effectively adsorbing cefixime (CFX), and was also utilized for CO2 capture, demonstrating its multifunctional capabilities. Optimum breakthrough time for CFX adsorption and CO2 adsorption capacity was found to be 90 min and 4.73 mmol.g−1, respectively. The Thomas kinetic model provided an excellent fit to the obtained adsorption data. Optimum H3PO4-AC removed 96.33 % of CFX (30.68 % utilization of adsorption capacity), while K2S2O3-AC achieved 79.33 % removal (25.27 % utilization of adsorption capacity). H3PO4 activation proved more favorable for CFX adsorption due to enhanced surface functionality, while K2S2O3 activation significantly improved CO2 capture by promoting stronger adsorption of CO2 molecules. © 2025 Elsevier B.V.

In the present study, the synthesis of a novel polyethersulfone (PES/BiFeO3NPs) ultrafiltration membrane was achieved through a phase inversion method. For the first time, different concentrations of BiFeO3NPs were added to the casting solution in order to better understand how they affect the properties and performance of modified PES membranes: weight percents of 0, 0.1, 0.2, 0.3, and 0.4. The neat and modified PES membranes were characterized comprehensively via field emission scanning electron microscopy (FE-SEM), Fourier transform infrared spectroscopy (FTIR), porosity, and contact angle (CA) techniques. The modified membranes demonstrated a substantially higher level of purified water flow and a high rejection of MB dye and BSA solutions when compared to the pristine PES membrane, in addition to increasing the membrane fouling resistance. An increase of about 65% over the bare PES membrane (20.2 kg/h.m2) was seen in the pure water flux, which reached a peak of 52.5 kg/h.m2 at a BiFeO3 concentration of 0.3 wt.% in the casting solution. The PES/BiFeO3 membranes outperformed the neat PES in MB dye and BSA removal by a margin of over 99%. The membrane with the highest antifouling capability was the 0.3 wt.% BiFeO3 (SM3) membrane, as determined by the fouling resistance of the membranes examined using methylene blue dye (MB) solution filtration. The results of this study indicate that BiFeO3 is a promising nanoadditive with great potential for use in the production of UF membranes for wastewater treatment. © The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature 2025.

Wastewater generated from different anthropogenic activities often poses health risks to both human and aquatic lives which necessitate the development of advanced remediation technologies using multifunctional nanocomposites. There is an increasing interest in the application of multifunctional nanocomposites for wastewater treatment due to their tendency to be used in combined photocatalytic and adsorption process. The multifunctional nanocomposites offer synergistic effects which provide opportunities for efficient capture of the contaminants and subsequently degrading them under various environmental conditions. The recent advances in the applications of multifunctional nanocomposites include the design of photocatalysts that could be applied under visible light irradiation, surface modified adsorbents, and heterojunction nanomaterials. Multifunctional nanocomposites have displayed noteworthy performance in the removal of organic contaminants such as dyes, pharmaceuticals residues, phenols as well as heavy metals with enhanced stability, reusability and scalability. Key advancements in the application of the multifunctional nanocomposite, and the various mechanism in the adsorption and photocatalytic process have been highlighted in this review. The review presented a future perspective with an emphasis on the necessity of cost-effectiveness and environmentally sustainable nanomaterials to ensure sustainable wastewater treatment technologies. © 2025 The Authors

In this study, a novel attapulgite/13X zeolite composite was synthesized in varying ratios (1:1, 2:1, 1:2) and evaluated for enhanced CO2 capture performance. The composite was prepared via a simple hydrothermal method and characterized through XRD, FTIR, BET, SEM-EDX, and TGA analyses. Results confirmed improved structural stability, increased surface area, and greater porosity relative to pristine attapulgite. The composite with a 1:2 ATP/Z13X(13X zeolite) ratio demonstrated the highest CO2 adsorption capacity (2.2 mmol g−1) at 25 °C, nearly tenfold higher than that of pure attapulgite (0.21 mmol g−1), owing to improved textural characteristics and synergistic effects between components. Adsorption was favored at lower temperatures and higher adsorbent dosages, while elevated CO2 partial pressures enhanced uptake capacity. Kinetic analyses indicated that physisorption governed the process, best described by the pseudo-first order and Elovich models. The adsorption mechanism conformed well to the Freundlich and Dubinin isotherms, consistent with multilayer sorption on heterogeneous surfaces. Thermodynamic evaluations revealed that the process is spontaneous and exothermic, with ΔG° ranging from −11.15 to −11.69 kJ mol−1 and ΔH° of −9.70 kJ mol−1, confirming the physical nature of adsorption. The composite also exhibited excellent cyclic stability over 11 regeneration cycles with only a 2.8 % capacity loss. These findings demonstrate the composite's promise as a cost-effective and durable adsorbent for post-combustion CO2 capture applications. © 2025 Elsevier Inc.

The global water scarcity issue affects various regions, especially those distant from urban centers, making solar stills a vital solution. However, these systems suffer from limited productivity. This study investigates the operation of a cords wick double slope distiller (WDSSS) under different conditions. It examines the impact of varying cord counts (9, 16, 25, & 35 cords) and tests the influence of using reflectors and a condensation cycle with WDSSS. The results indicate that the optimal performance for WDSSS, both with and without reflectors and a condensation cycle, is achieved with 25 and 35 cords, respectively. Furthermore, at the 25-cord configuration, the WDSSS without the use of either reflectors or a condensation cycle demonstrated a 140 % increase in yield compared to a conventional solar still (7200 vs. 3000 mL/m2.day, respectively). In addition, the WDSSS with reflectors and 25 cords exhibited an 180 % improvement in yield over the conventional solar still (9500 vs. 3400 mL/m2.day, respectively). Moreover, at 25 cords, the combined effect of condensation and reflectors substantially boosted the WDSSS yield by 212 % compared to the conventional solar still (11250 vs. 3600, respectively). Finally, the highest performance of the WDSSS was achieved with reflectors and a condensation cycle using 35 jute cords, resulting in a remarkable 51.5 % increase in efficiency and a substantial 228 % increase in distillate yield. © 2023 International Solar Energy Society

‏ The search of next prospective source of fuel is highlighted by the research community to compensate the aspects of shortcomings of diesel fuel and to treat the harmful emissions in the transportation sector. Among numerous economic sectors, the use of petro-diesel still the main fuel using for driving heavy machinery despite the high advance in electric motors for transportation systems. The characteristics of engine performance, nitrogen oxide (NOX) emissions, size distribution of particulate matter (PM), number and oxidation reactivity of soot particles from the effects of low and high fuel injection pressures (FIPs) and adding two types of nanoparticles (Al2O3 and TiO2) to the M20B10 blend (20 % of microalgae biodiesel, 10 % n-butanol and 70 % of diesel) were studied in common-rail diesel engine at different loads. The results revealed that the adding Al2O3 and TiO2 to the M20B10 blend decreased the BSFC by 21.28 % and 22.84 %, respectively, and also improved BTE by 4.46 % and 2.35 %, respectively, for different engine loads. It is observed that the applied HFIP and M20B10+Al2O3 blend also enhance the fuel consumption by 21.28 % and increase BTE by 9.63 % in comparison with M20B10+ TiO2 blend. In contrast, the presence HFIP with nano blends increased the NOX emissions by 24.73 % with respect to the LFIP, meanwhile the NOX emissions decreased from nano blends combustion more than to the neat M20B10 blend. The combustion of M20B10+Al2O3 blend decreased the PM concentration (by 52.82 %) and number (by 33.62 %) and when compared with blend of M20B10+ TiO2 and neat M20B10 blend combustion at HFIP. Furthermore, the reactivity of soot oxidation significantly increased when adding Al2O3 into the M20B10 blend and applying HFIP compared to the M20B10+ TiO2 blend. © 2024 The Authors

Every day, the number of places throughout the world where people can get access to safe water is decreasing. Contaminated or improperly distilled water sources are the root of a number of diseases. Hence, there is an urgent need for people to have an environmentally friendly way to purify water. Solar distillation is an exceptional clean water treatment technology. Another method of water purification that yields potable water is the solar still (SS) technique. However, the solar still layout has to be enhanced due to a number of operational and atmospheric factors. It is well known that as solar radiation strikes the vertical sides of the SS, it become hotter, and the high temperature area causes significant energy losses to the surroundings. Researchers have looked into a number of methods to enhance the yield of solar stills. This paper provide an in-depth analysis of the current state of the various methods used to reduce losses of back wall of SS, for instance, drum, vertical wick, rotating wick, discs, trays, copper heaters …. etc. Diverse results (increase in productivity) demonstrated the importance of vertical wick (69–71%), internal trays (43–45%), internal reflectors (19.9–55.5%), and internal revolving discs (51–106%). As a result of this study, future researchers will be able to focus on creating strategies to reduce thermal losses in SS walls. This paper also discusses the already explored parameters of the setup and highlights the associated concerns. Research on SS is currently ongoing, and proposals for other research initiatives have been put forth in light of this study's findings. © 2024

While solar distillation presents an eco-friendly and sustainable means of obtaining potable water, its capacity to generate water is relatively modest. The principal objective of this research endeavor resides in the enhancement of the condensation mechanism within solar distillation apparatuses, concurrently ameliorating thermal losses from the distiller's rear wall (MSS). This enhancement is achieved through the strategic application of a calcium hydroxide coating onto the rear surface of back wall of conventional solar still (CSS). This study investigated the performance of the solar still painted by five distinct binder material ratios (10 %, 20 %, 30 %, 40 %, and 50 % by weight) relative to the calcium hydroxide component. Additionally, the application of the calcium hydroxide paint on the rear wall was tested with and without a protective glass panel. Finally, incorporation of mirrors in conjunction with a protective glass panel preceding the paint application was investigated. The experimental observations have led to a significant insight: a binder ratio of 20 % yields optimal adhesive qualities while concurrently upholding cohesion strength. The MSS with glass plate and mirrors exhibited the most impressive performance, with a yield rise of 130 % and an efficiency of 53.5 %. The costs of freshwater of CSS and MSS were 0.02 and 0.015 $/L. © 2024 Elsevier Ltd

Oily wastewater is a major environmental issue resulting from different industrial and manufacturing activities. Contaminated water with oil represents a significant environmental hazard that can harm numerous life forms. Several methodologies have been tested for the removal of oily wastewater from aqueous solutions, and adsorption in a flow-through reactor is an effective mechanism to reduce these effluents. This study focuses on evaluating the ability of Fe3O4/Bent material to adsorb gasoline emulsion from a solution using a fixed-bed column, and it involves analyzing the resulting breakthrough curves. The FT-IR, SEM, EDX, and XRD techniques were used to characterize Fe3O4/Bent. Various ranges of variables were examined, including bed height (2–4 cm), flow rate (3–3.8 mL/min), and initial concentration (200–1000 mg/L), to determine their impacts on the mass transfer zone (MTZ) length and the adsorption capacity (qe). It was shown that a higher bed height and a lower flow rate contributed to a longer time of breakthrough and exhaustion. At the same time, it was noted that under high initial gasoline concentrations, the fixed-bed system rapidly reached breakthrough and exhaustion. Models like the Yoon–Nelson and Thomas kinetic column models were employed to predict the breakthrough curves. Thomas and Yoon–Nelson’s breakthrough models provided a good fit for the breakthrough curves with a correlation coefficient of R2 > 0.95. Furthermore, with a fixed-bed system, the Thomas and Yoon–Nelson models best describe the breakthrough curves for gasoline removal. © 2024 by the authors.

Context: The study delves into the adsorption process of acrolein (AC) onto both an untainted and a titanium-doped aluminum nitride nanotube (AlNNT) using computations based on density functional theory. As AC approaches the pure AlNNT, it exhibits a calculated adsorption energy (Ead) of -5.3 kcal/mol, underscoring the feeble nature of the adsorption. Furthermore, there has been very little change to the AlNNT's natural electrical characteristics. On the contrary, the introduction of titanium (Ti) enhances the performance of AlNNT, rendering it more susceptible and reactive to AC signals. Analyzing the conventional Gibbs free energy of formation computationally, we ascertain that replacing a nitrogen (N) atom with a titanium (Ti) atom within the aluminum nitride nanotube (AlNNT) structure presents a more advantageous prospect. Notably, there is a substantial alteration in the energy of adsorption (Ead) for AC as a Ti atom is incorporated onto the AlNNT surface, resulting in a shift from -5.3 to -24.6 kcal/mol. Methods: Energy calculations and geometric optimizations were conducted utilizing the dispersion-augmented B3LYP method, known as B3LYP-D. In this approach, Grimme's dispersion term, referred to as the "D" term, was employed to account for dispersion forces. The basis set adopted was 6–31 + + G** (d), and all computational procedures were executed using the GAMESS software program. Following the incorporation of titanium (Ti), this adjustment leads to a substantial enhancement in sensing capability, reaching a value of 93.7. This indicates an improved electrical conductivity of the aluminum nitride nanotube (AlNNT). Remarkably, the Ti-doped AlNNT demonstrates the ability to detect AC distinctly, even in the presence of HCN, formaldehyde, ethanol, toluene, and acetone. The swift recovery process becomes evident as AC desorbs from the surface of Ti-doped AlNNT, with a calculated recovery time of 14.0 s. © 2024, The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature.

One-dimensional nanostructures are generally cited as nanowires, nanofibers, nanotubes, and so on. The foremost prominent feature of these materials is their electrical conductivity, which, unlike classical physics, doesn't increase their resistance because the diameter decreases. Numerous properties of these materials like electrical conductivity, optical, magnetic, biological, and environmental their sensory have created many applications for them altogether industries. nanowires (NWs) propose potential impact on electronics, computing, memory, data storage, communications, manufacturing, health, medicine, national security, and other economic sectors as well. NWs offer excellent surface-to-volume ratio (interface phenomena), low defect density, high optical output, and controllable n-type conductivity, making them more appropriate and sensitive for sensing applications. NWs with their ultra-sensitive and real-time detection capabilities lend their applications in nano biosensors, chemical sensors, gas sensors, and electrochemical sensors. NWs have been used in improving the optical absorption as well as for the collection efficacy in photovoltaic devices. NWs having small size, low weight, low cost for mass production, and are also compatible with commercial planar processes for large-scale circuitry. In the paper, the authors are focusing to summarize the recent advances in NWs with their potential applications in various fields such as research, health, security, education, entertainment, and power generation. © 2023 The Author(s)

Photolysis was employed to produce titanium dioxide (TiO2) with exposed (0 0 1) facets, which were then modified by incorporating reduce graphene oxide (rGO) sheets at (1, 3 and 5) wt.%.The chemical composition, optical properties, morphology, and electrochemical behavior of both the pure and composite nanomaterials were analyzed. The X-ray diffraction (XRD) and Raman spectroscopy techniques confirmed the formation of the anatase phase of TiO2 in the samples. The Debye Scherrer method was utilized to estimate the size of the particles. It was observed that the particle size decreased as the concentration of rGO increased; at 5 wt% rGO, the size was 11 nm. The morphology of the rGO/TiO2 nanocomposite was analyzed with transmission electron microscopy (TEM) which showed that TiO2 nanoparticles were dispersed on the surface of the rGO sheets. The analysis of the X-ray photoelectron spectrum (XPS) revealed that bonding of TiO2 with rGO occurred through the formation of Ti-C and Ti-O-C bonds. The results obtained from the diffuse reflectance spectroscopy (DRS) showed a decrease in band gap upon an increase in rGO concentration. Moreover, confirmation was obtained regarding the reduction of recombination carriers through the photoluminescence (PL) spectrum. The results indicated that the prepared nanocomposite had a high number of oxygen vacancies. The photodegradation mechanism of congo red dye under sunlight was studied by Liquid chromatography–mass spectrometry (LC-Mass) and scavenger effect. The photodegradation of congo red dye (CR) utilizing TiO2, both pure and incorporated with rGO, was observed under normal conditions in the presence of sunlight. The study revealed that the optimal condition for achieving maximum photodegradation of CR dye was pH = 7, 100 min, 50 ppm initial CR dye concentration and 10 mg of catalyst dosage. The photodegradation data illustrated that 5 wt% rGO doped TiO2 exhibits higher efficiency than other 3; 1 wt% rGO and pure TiO2. Finally, the improving breakdown of CR dye using direct sunlight showed high efficiency without leaving behind any secondary intermediates. © 2023 The Author(s)

Sol-gel chemistry is currently applied as one of the most widely used methods for synthesis of nanoparticles. In this method hydrolysis and poly-condensation reactions occur when the gel precursors are mixed with water and catalyst. The further condensation of sol particles into a three-dimensional network produces a gel. There are several parameters that effect on gelation time such as the molar ratio of alkoxide to water, the rate of hydrolysis, the type and amount of catalyst used, initial concentration of precursors and the temperature of hydrolysis and drying. Encapsulated solvent can be removed from a gel by either evaporative drying or supercritical drying. Where the resulting solids are known as a xerogel and an aerogel, respectively. During the drying process due to the surface tension of the liquid, a capillary pressure gradient is built in the pore walls, which is able to collapse most part of the pore volume. The volume shrinkage may be prevented by supercritical drying. The strength, thermal stability, pore structure and morphology of aerogels are keys to success for wider applications such as catalyst supports, thermal and acoustic insulators and adsorbents. Among catalyst support materials, alumina became popular recently due to its highly thermal and chemical stability and higher porosity. In the present study, synthesis of alumina gel as a support for nano-catalysts through hydrolysis of aluminum tri-sec-butoxide (ASB) in ethanol was investigated. The gel synthesis was carried out at 32 and 60 °C with different concentrations of water and precursor and different types and amounts of acid as catalyst. Rate of gel formation, efficiency of hydrolysis and polymerization and amount of gel production were measured and discussed. Results showed that acid addition around 0.2 ml and water to ASB malar ratio of 2 at 60 °C maximized the amount of gel produced and minimized the gelation time. Then, the alumina gel that synthesized at optimum conditions was dried by two different methods, at atmospheric pressure and temperature and at supercritical conditions of carbon dioxide and the results of Scanning Electron Microscopy were compared. © 2023 The Authors

With the rapid development of nanotechnology in the recent decade, novel DNA and RNA delivery systems for gene therapy have become available that can be used instead of viral vectors. These non-viral vectors can be made of a variety of materials, including inorganic nanoparticles, carbon nanotubes, liposomes, protein and peptide-based nanoparticles, as well as nanoscale polymeric materials. They have as advantages over viral vectors a decreased immune response, and additionally offer flexibility in design, allowing them to be functionalized and targeted to specific sites in a biological system with low cytotoxicity.gene therapy keeps hopes a life for the treatment of a wide range of diseases such as cancer, nano particles are now known as promising carriers for the effective and safe vectors of genes to specific cells or tissues. This could provide alternative therapies for conventional approaches that use viruses as gene carriers. The expression of genetic material such as DNA, RNA into cells and tissues has raised considerable hopes for therapeutic and diagnostic purposes. But getting nucleic acids into the cell also faces challenges. These challenges are less for non-virus carriers as a gene and drug vectors method than for viral or free vectors and are therefore considered less risky and more appropriate. of expanding nonverbal nano carriers, we will look at a few of these nano carriers, penicillin, PEI, PLGA, silica, block copolymer, Quantum dot, gold nano particles, and common carbon nano tubes. Problems include the use of nano particles such as polymer nano particles, liposomes, solid lipid particles, in targeted gene vectors will be investigated. Gene-based therapy is the intentional modulation of gene expression in specific cells to treat pathological conditions. This modulation is accomplished by introducing exogenous nucleic acids such as DNA, mRNA, small interfering RNA (siRNA), microRNA (miRNA) or antisense oligonucleotides. Given the large size and the negative charge of these macromolecules, their delivery is typically mediated by carriers or vectors. In this Review, we introduce the biological barriers to gene delivery in vivo and discuss recent advances in material sciences, nanotechnology and nucleic acid chemistry that have yielded promising non-viral delivery systems, some of which are currently undergoing testing in clinical trials. The diversity of these systems highlights the recent progress of gene-based therapy using non-viral approaches. © 2023 The Authors

In this article, phenolic resin samples of Resole reinforced with carbon fibers and graphene nanoparticles were prepared. Different amounts of graphene (0.5%, 1%, 2%, and 3%) were dispersed in a 50% solution with weight of phenolic resin and ethanol with ultrasonic waves for 10 min with 60% power of the device. After that, hybrid composites containing 50% with weight of carbon fibers were prepared with manual layering method and the samples were baked at 160 °C, 120 bar pressure with hot pressing. The morphology and thermal and mechanical properties of the prepared nanocomposites were examined with XRD, FTIR, SEM, TEM, DSC, TGA, and three-point bending tests and the results were compared with adding 1% with weight of graphene to the resulting composites; the modulus and flexural power of the samples rose with 19.5% (38.2GPa) and 8.7% (471MPa), respectively. Also, the shear strength of the sample containing 1% graphene with weight increased with 23% compared to the pure sample. The thermal resistance of phenolic resin/graphene composites showed a significant increase compared to pure resin. For example, in the sample containing 1% with weight of graphene, the observed increase in T 5%, T 10%, and T d, max indices were 12, 30, and 5°C, respectively. The DSC test results indicated that the addition of graphene nanoparticles decreases the enthalpy of the baking reaction and also shifts the exothermic peak to higher temperatures. This can indicate the steric hindrance effect of the graphene sheets during the baking reaction, which is caused with the huge surface area of the graphene sheets. © 2023, The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature.

in recent years, most researchers are trying to seek out and develop effective and comparatively simple methods for producing nanostructures. In this regard, the methods of manufacturing self-regulated nanostructures with alternating arrays are given special attention. The anodization, which ends up within the formation of a porous metal oxide layer consisting of an everyday array of nanoporous, is one such method. The numerous applications of aluminum, research on the anodization has focused more on this metal. Anodic corundum may be a key sample material for creating nanostructures like nanowires, nanotubes. The anodic aluminum, which ends within the formation of porous alumina samples, is comparatively easy and ultimately leads to an array of high-density parallel nanoporous. During this paper, the final structure of porous anoxic alumina further because the growth mechanism of this layer within the presence of electrical field and therefore Penetration of Electrolyte species into the oxide layer, furthermore as explaining the expansion mechanism of porous oxide layer in steady state and hexagonal plasma membrane structure. Affecting the geometric parameters of the porous alumina structure like the pore diameter, the interpore distance, the wall thickness, and also Thickness of the Barrier Layer are discussed. © 2023 The Authors

Photosynthesis Magnetic with core–shell structure, Fe3O4@SiO2-2-(6-((3-amino-4-hydroxyphenyl)diazenyl)-1 λ 4-thiopyran-3-carboxylic acid and CoFe2O4@SiO2-2-(6-((3-amino-4-hydroxyphenyl)diazenyl)-1 λ 4-thiopyran-3-carboxylic acid have been prepared by a facile Stober method. These materials exhibited excellent supercapacitor performance, which was both efficient and highly stable. The nanocomposites were characterized by XRD, XPS, FESEM-EDX-mapping and TEM. The XRD results exhibit synthesis of Fe3O4 phase and CoFe2O4@SiO2-2-(2-benzothiazolyl azo)-4-methoxyaniline. The FESEM images show nanoparticles that have been agglomerated into spherical shapes while the TEM results reveal that the nanoparticles have been functionalized with magnetic properties using SiO2-2-(1-(4-((3-amino-4-hydroxyphenyl)diazenyl)phenyl)ethan-1-one. The two electrodes illustrated high specific capacitance of 679 and 630F.g−1 and excellent stability up to 1000 cycles charge–discharge cycles. The results indicated that the capacitance value of CoFe2O4@SiO2-2-(6-((3-amino-4-hydroxyphenyl)diazenyl)-1 λ 4-thiopyran-3-carboxylic acid is higher than Fe3O4@SiO2-2-(6-((3-amino-4-hydroxyphenyl)diazenyl)-1 λ 4-thiopyran-3-carboxylic acid, revealing the extraordinary performance of CoFe2O4 electrode. The electrochemical activity of CoFe2O4 electrode is attributed to the synergistic effect of oxidation–reduction coupling between copper and ferric ions. © 2023 Elsevier B.V.

The integration of diesel and biodiesel, particularly biodiesel derived from water hyacinth, as a combined fuel source has recently emerged as a promising area of study, with a particular focus on the effects of nanoparticle additives. Notably, the reduction of emissions achieved by introducing iron oxide nanoparticles (Fe3O4) to biodiesel has been substantiated. However, the potential impact of blending nanoparticles with the diesel and biodiesel mix on the performance characteristics of a diesel engine has yet to be sufficiently explored. This research undertook performance and emission assessments employing diverse fuel samples in a single-cylinder diesel engine. The thermal brake efficiency metrics for the 50 ppm and 100 ppm iron oxide nanoparticle blends surpassed those of the D80B20 and D60B40 biofuel blends, exhibiting increases of 3.5% and 4.85% for D80B20N50 and D80B20N100, and 6.2% and 7.4% for D80B20N50 and D80B20N100, respectively, in comparison to neat diesel. The carbon monoxide emission levels of the biofuel blends with iron oxide were less than that of neat diesel, with the most significant reduction detected in the D60B40N100 blend. Furthermore, the nitrogen oxide emissions for all nanoparticle blends were lower than those for neat diesel, attributable to a shortened ignition delay and minimized fuel usage during combustion, subsequently leading to a reduction in nitrogen oxide emissions. © 2023 Wit Press. All rights reserved.

Background: In recent decades, using nanofluids (NFs) to improve the thermal properties of the NFs was widely considered. Methods: In the current study, molecular dynamics (MD) simulation was used to examine the effects of dispersion and morphology of nanoparticle aggregation (NA), solid volume fraction (SVF), temperature (Temp), nanoparticle size (NS), and nanoparticle shape on the thermal properties of water/Nickel nanofluid (NF). The thermophysical properties of the NFs were simulated and studied using MD simulation, which was a common computational method because of the high cost and limitations of experimental approaches, particularly at molecular dimensions. LAMMPS software package, and the EAM potential function were used to simulate the structure. In the present simulation, three NF samples containing Ni with SVF of 1, 2, and 3% with two shape of spherical (SN) and cylindrical (CN) and in two different Temp of 313 to 358 K were considered. Also, the nanoparticles (NPs) with the radii of 8, 10, and 12 Å were considered in the simulation box. The results show that by increasing Temp and SVF, the diffusion coefficient (Dnf) of NFs would increase and decrease, respectively. From a numerical point of view, by increasing Temp from 313 K to358 K in 1% SVF, thermal conductivity (knf) and Dnf increased from 0.25656 to 0.99688 W/mK and 0.34786075 to 0.68396948, respectively. Moreover, by increasing SVF and T, the viscosity (µnf) of NF increased and decreased, respectively. Significant findings: As the radius of NPs increased, the Dnf of the water-based NFs increased. This is because larger NPs can provide more surface area for water molecules to interact with, which can increase the overall mobility of water molecules and enhance the Dnf. Also, the µnf decreased. This is because larger NPs can reduce the overall µnf of the NF by increasing the mobility of water molecules and reducing the degree of hydrogen bonding between water molecules. Besides, NFs containing CN had a lower Dnf than NFs created by SN. On the other hand, suspensions containing CN had a greater µnf and knf. © 2023 Taiwan Institute of Chemical Engineers

Developing a sensor for detecting SF6 decomposed gasses is considered important for the insulation of electrical equipment. First-principles density functional theory computations are undertaken to examine the possible use of metal-doped one-dimensional (1D) nanomaterials in gas sensors, and to investigate their sensitivity, adsorption and electronic properties. Within this work, a platinum (Pt)-doped aluminum nitride nanotube (Pt-AlNNT) was used to investigate the adhesion of SF6 decomposed gasses, namely SO2, SOF2, SO2F2. Two possible sites were considered to investigate the stable structure of Pt-AlNNT. The binding energy of the structure with most stability was − 1.314 eV. Also, the sensitivity and adhesion energy of the above-mentioned gasses demonstrated that Pt-AlNNT had more suitable sensing and adhesion properties compared to other materials. The results can provide useful insights into investigating Pt-AlNNT as a suitable sensor for detecting SF6 decomposed gasses for the insulation of electrical equipment. © 2023 Elsevier B.V.

This study goal to the ability of using low cost materials representing thermestone and aluminum solid wastes in water filtration by using a pilot plant constructed in wastewater treatment plant to remove cadmium ions (Cd(II)). Response Surface Methodology (RSM) used to optimize the optimal parameters that affecting the performance of filter units, these parameters are time, Cd(II) concentration, and filtration rate. These optimized parameters were 9 hr., 5 ppm, 10 l/hr. with removal efficiency of Cd(II) for A-Filter, T-Filter, S-Filter, and A-T-S-Filter was 94%, 95%, 86.8% and 90%, respectively. The result shows that the T-filter has higher cadmium removal efficiency than A-filter, S-filter and S-T-A-filter. While A-filter has a higher removal efficiency of cadmium than the S-filter and S-T-A-filter. While the S-T-A-filter has higher efficiency than S-filter. The result obtained from RSM was good Agreement with the result of experiments. As a result, the optimized process in this paper can be widely utilized with high removal ratio of Cd(II) ions from wastewater samples. © 2023, Journal of Ecological Engineering. All Rights Reserved.

Context: The potential of Ni-C72 and Ni-Al36P36 as effective catalysts for O3 decomposition is examined by LH and ER mechanisms. The activation barrier energy and Gibbs free energy of reaction steps for O3 decomposition on Ni-C72 and Ni-Al36P36 are calculated. The ∆Eformation of Ni-C72 and Ni-Al36P36 are negative values and these structures are stable nano-catalysts. The Ni atoms are catalytic positions to adsorb the O3 and other important species of O3 decomposition by LH and ER mechanisms. The Ni-Al36P36 for O3 decomposition has lower Eacivation and more negative ∆Greaction than Ni-C72. The Eacivation value of rate-determining step for O3 decomposition by LH mechanism is lower than ER mechanism. The Ni-C72 and Ni-Al36P36 can catalyze the reaction steps of O3 decomposition by LH and ER mechanisms. Methods: The structures of Ni-C72 and Ni-Al36P36 nanocages and their complexes with O3 and other important species of are optimized by PW91PW91/6–311 + G (2d, 2p) model and M06-2X/cc-pVQZ model in GAMESS software. The strcutures of nanocages and their complexes with important species of O3 decomposition by LH and ER mechanisms are optimized and their frequencies are calculated in order to demonstrate that these structures are real minima on the potential energy surface. © 2023, The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature.

This investigation reports application of a mesoporous nanomaterial based on dicationic ionic liquid bonded to amorphous silica, namely nano-N,N,N′,N′-tetramethyl-N-(silican-propyl)-N′-sulfo-ethane-1,2-diaminium chloride (nano-[TSPSED][Cl]2), as an extremely effectual and recoverable catalyst for the generation of bis(pyrazolyl)methanes and pyrazolopyranopyrimidines in solvent-free conditions. In both synthetic protocols, the performance of this catalyst was very useful and general and presented attractive features including short reaction times with high yields, reasonable turnover frequency and turnover number values, easy workup, high performance under mild conditions, recoverability and reusability in 5 consecutive runs without losing activity. In addition, the antioxidant, antibacterial, and antifungal activity of some synthesized derivatives was studied for the first time. Our investigations showed that most of the studied compounds (2a, 5a, 8a, 11a, 2b and 5b–9b) have the mentioned biological properties. Graphical abstract: [Figure not available: see fulltext.] © 2023, The Author(s), under exclusive licence to Springer Nature B.V.

Configuration of the microchannels connection to the manifold in microchannel heat exchangers significantly influences flow uniformity in the microchannels and significantly affects the even thermal dissipation to the surroundings. This paper presents the uniformity anxieties of the flow through a non-protruded microchannel heat exchanger that has been explored experimentally and numerically. The prototype consisted of 5-mm-diameter inlet and outlet headers with 20 microchannels of 0.96-mm-diameter and 50-mm-long with no protrusion depth. The velocities were measured by particle image velocimetry at 308 and 617 ml/min flow rates, corresponding to Reynolds numbers of 1500 and 3000 based on the header diameter. Using ANSYS FLUENT, a CFD simulated the flow in the microchannels heat exchanger at Reynolds numbers of 1500, 3000, 4500, 6000, and 7500, allowing a detailed flow field visualization. The numerical procedure was validated by comparing the simulation velocity results with the experimental results, showing a mean relative error of all the 20 microchannels of 3.8% and 8.2% for flow rates of 308 and 923 ml/min, respectively. Both experimental and numerical results show that the microchannels' velocity distribution is not uniform at the last few microchannels. The present work results support the concept of a protruded microchannel that produces better uniform flow. Hence, extended investigations are recommended to explore the effect of the channel's protrusion on flow uniformity and address the high inconsistency in the pressure drop prediction. Also, the simulation could be beneficial if extended to compare the maldistribution with various manifold diameters. © 2023 Taylor's University. All rights reserved.