A process for the deoxydehydration (DODH) of glycerol to allyl alcohol in 2-hexanol as solvent was modelled with Aspen Plus. Experimental results for the DODH reaction, the liquid vapour equilibria and the catalytic hydrogenation were employed for the development of the model. The whole process consists of four subsystems: allyl alcohol production (S1), solvent recovery (S2), allyl alcohol purification (S3) and solvent regeneration (S4). Based on the results of the process model, allyl alcohol with 96% yield and a purity of 99.99% with product loss of only 0.2% was obtained. The optimisation of the energy consumption through an integrated heat exchange network resulted in a net primary energy input of 863.5 kW, which corresponded to a carbon footprint of 1.89 kgCO2/kgAllylOH.

In this work, the synthesis of magnetite nanoparticles and catalysts based on it stabilized with silicon and aluminum oxides was carried out. It is revealed that the stabilization of the magnetite surface by using aluminum and silicon oxides leads to a decrease in the size of magnetite nanocrystals in nanocomposites (particle diameter less than ~10 nm). The catalytic activity of the obtained catalysts was evaluated during the oxidation reaction of phenol, pyrocatechin and cresol with oxygen. It is well known that phenolic compounds are among the most dangerous water pollutants. The effect of phenol concentration and the effect of temperature (303–333 K) on the rate of oxidation of phenol to Fe3O4/SiO2 has been studied. It has been determined that the dependence of the oxidation rate of phenol on the initial concentration of phenol in solution is described by a first-order equation. At temperatures of 303–313 K, incomplete absorption of the calculated amount of oxygen is observed, and the analysis data indicate the non-selective oxidation of phenol. Intermediate products, such as catechin, hydroquinone, formic acid, oxidation products, were found. The results of UV and IR spectroscopy showed that catalysts based on magnetite Fe3O4 are effective in the oxidation of phenol with oxygen. In the UV spectrum of the product in the wavelength range 190–1100 nm, there is an absorption band at a wavelength of 240–245 nm and a weak band at 430 nm, which is characteristic of benzoquinone. In the IR spectrum of the product, absorption bands were detected in the region of 1644 cm−1, which is characteristic of the oscillations of the C=O bonds of the carbonyl group of benzoquinone. The peaks also found at 1353 cm−1 and 1229 cm−1 may be due to vibrations of the C-H and C-C bonds of the quinone ring. It was found that among the synthesized catalysts, the Fe3O4/SiO2 catalyst demonstrated the greatest activity in the reaction of liquid-phase oxidation of phenol.

The focus of this study was to examine antisolvent effects, which hold significance in particulate processes, such as crystallization and precipitation. In the first section, an experimental investigation revealed that C1–C4 primary alcohols significantly reduced the solubility of potassium dihydrogen phosphate (KDP) in water. The solid–liquid equilibria of KDP solutions were determined using an innovative polythermal method, demonstrating time and labor efficiency compared to the traditional isothermal method while maintaining solubility determination quality. This achievement established an efficient tool for high-throughput solvent screening, a crucial aspect of particulate process development. In addition to the experimental approach, in the second part, the influence of these alcohols on KDP solubility was analyzed using the eNRTL thermodynamics model. The model’s estimated parameters confirmed that the addition of these alcohols induced strong non-ideal behavior in the solutions, altered interactions between solute species and solvent components, and reduced KDP solubility. Under the effects of these alcohols, KDP solubility generally increased with the length of the alkyl chain in the added alcohols, although methanol deviated from this observation. Furthermore, the present work also discussed the limitation of the well-known Bromley’s equation, particularly when applied for KDP in alcohol–water mixed solvents. Consequently, binary and ternary systems consisting of KDP, water, and C1–C4 primary alcohols were successfully modeled using eNRTL. Furthermore, it was determined that the obtained model was insufficient for quaternary systems with a higher alcohol content, particularly when high-order interactions were neglected as in the cases of binary and ternary systems. In short, these investigated alcohols have potential for future applications in the design of particulate processes, with a particular emphasis on antisolvent crystallization.

The production and study of highly dispersed aluminum-based powders represents one of contemporary science’s priority fields. This is primarily driven by the practical necessity to develop new materials, a feat that, in some cases, can only be achieved through the utilization of powdered components. This article presents the results of the mechanochemical treatment method employed to obtain highly reactive aluminum particles. It also includes a comparative analysis of aluminum particles generated through various methods and their respective properties. Furthermore, the application of these highly reactive aluminum particles in energy-intensive materials is discussed.

The present research involves producing graphene oxide (GO) using the Hummers method, generating a composite using GO and PVA, and analyzing these composites’ structural and optical characteristics. PVA and GO were used in varied percentages to deal with the issue of how the features of GO/PVA alter depending on concentration. The impact of thermal annealing on the structure and optical characteristics of GO/PVA materials at various concentrations were also investigated. UV-VIS was used to investigate the band gap value of GO/PVA composites. The band gap value changed due to an increase in the concentration of GO in the composites in the PVA and the impact of thermal annealing. The band gap value, specific resistance, and dielectric constant were all found to be well controlled by varying the thermal annealing temperature and the concentration of GO in this case. Differential Scanning Calorimetry (DSC) and thermogravimetric analysis (TGA) were performed on pure PVA and GO/PVA samples in various percentages of GO in order to examine the effect of temperature on the physical properties of (n = 1, 2, 3, 5, 20%) nGO%/PVA nanocomposites. Thermal stability increased as the fraction of GO in the PVA polymer matrix increased.

The zeta potential of soils is an electric potential in the double-layer interface and is a physical property exhibited by any particle related to electrochemical attractive forces. On the other hand, the chemical aging phenomenon is seen as the chief mechanism of the aging of sands due to the dissolution and precipitation of minerals, resulting in the development of the cementation of particles in granular mediums. The present investigation focuses on determining whether granular materials can generate cementation due to electrokinetic forces, and if the zeta potential could be related as a measure of the potential of chemical aging. X-ray fluorescence and diffraction tests were performed to characterize four representative fractions of one kind of sand, and zeta potential studies were carried out to determine the electrical potential on the mineral surfaces of each one. Zeta potential analysis showed both dependence on the mineralogical content and the variation in the pH of the colloidal solution fluid because the increase in OH- ion concentrations increases the thickness of the diffuse double layer and the electrokinetic forces of attraction. Moreover, the zeta potential showed an increase in the thickness of the diffuse double layer, due to the electrokinetic forces, which can be associated with the development of cohesive forces with a dependence on the mineralogy of sands.

Multistep flow catalytic reactions in organic chemistry integrate multiple sequential organic reactions to enhance cost-efficiency, time management, and labour resources, all while boosting effectiveness and environmental sustainability. Similar to how we select molecular synthons for reactions in retrosynthesis, we can employ time-crystal synthons to integrate catalytic reaction cycles in the development of a reaction pathway. This involves considering individual catalytic reaction steps of cycles as time-consuming events that can be topologically arranged like a clock. This results in a perpetual machine that violates time translational symmetry, leading to the production of a time crystal. This approach involves transferring a single product from one catalytic cycle to a neighbouring reaction cycle, connecting various reaction vessels vertically to establish a ‘cascade’ of reaction cycles. Additionally, catalytic cycles can be integrated by sharing common reaction steps or implementing a metathesis reaction at the junction zone of two neighbouring cycles. Here, the concept of time-crystal synthons facilitates the linear integration of heterogeneous catalytic cycles, step by step, to transfer products through the common reaction medium when modifying conventional flow synthesis. Significantly, this time-crystal synthon-driven multistep approach offers advantages over conventional flow synthesis, as the reaction vessels can be equipped with microwave and photosynthesis methodologies, allowing for the collection of specific products from their respective vessels as needed, providing more options to integrate reactions and enabling flow control using gravity.

The examination presented herein sought to establish a novel methodology for the efficient recovery of polyphenolic antioxidants from coffee processing residues, namely coffee silverskin (CSS). The process developed was an ethanol-based organosolv treatment, assisted by acid catalysis, using sulfuric acid or oxalic acid as the catalyst. The first approach was modeling treatment based on severity, where it was found that treatment dependence on time and temperature may well be described by linear relationships. Response surface methodology was then deployed as a consecutive stage, to optimize treatments with regard to catalyst concentration and resident time. In this case, again, linear models could effectively predict polyphenol recovery yield (YTP). For the sulfuric-acid-catalyzed treatment, the maximum theoretic YTP was found to be 10.95 ± 0.44 mg caffeic acid equivalent (CAE) g−1 DM, achieved at CSuAc = 1.5% and t = 300 min. On the other hand, the maximum YTP of 10.30 ± 0.53 could be attained at COxAc = 4%, and t = 300 min. Considering treatment severity, it was concluded that the use of oxalic acid, a food-grade organic acid, instead of sulfuric acid, a corrosive acid, would afford equivalent effects at lower severity. The high-performance liquid chromatography analyses also revealed that the extract produced through the oxalic-acid-catalyzed treatment was more enriched in neochlorogenic and chlorogenic acids, and it exhibited stronger antiradical activity, but weaker ferric-reducing effects. It is proposed that the methodology developed may contribute towards the use of coffee processing wastes as potential sources of bioactive ingredients and the design of novel functional products, in the frame of a more sustainable strategy for coffee processing companies.

Biochar has gained attention as an alternative source of solid energy and for the proper disposal of agricultural biomass waste (ABW). Microwave-assisted pyrolysis (MAP) is a promising approach for the production of biochar. This review article presents the beneficial use of biochar for soil fertilization, machine learning (ML), the circular bioeconomy, and the technology readiness level. The use of machine learning techniques helps to design, predict, and optimize the process. It can also improve the accuracy and efficacy of the biochar production process, thereby reducing costs. Furthermore, the use of biochar as a soil amendment can be an attractive option for farmers. The incorporation of biochar into soil has been shown to improve soil fertility, water retention, and crop productivity. This can lead to reduced dependence on synthetic fertilizers and increased agricultural yields. The development of a biochar economy has the potential to create new job opportunities and increase the national gross domestic product (GDP). Small-scale enterprises can play a significant role in the production and distribution of biochar, providing value-added products and helping to promote sustainable agriculture.

P-type layered oxides recently became promising candidates for Sodium-ion batteries (NIBs) for their high specific capacity and rate capability. This work elucidated the structure and electrochemical performance of the layered cathode material NaxMn0.5Co0.5O2 (NMC) with x~1 calcined at 650, 800 and 900 °C. XRD diffraction indicated that the NMC material possessed a phase transition from P3- to P2-type layered structure with bi-phasic P3/P2 at medium temperature. The sodium storage behavior of different phases was evaluated. The results showed that the increased temperature improved the specific capacity and cycling stability. P2-NMC exhibited the highest initial capacity of 156.9 mAh·g−1 with capacity retention of 76.2% after 100 cycles, which was superior to the initial discharge capacity of only 149.3 mAh·g−1 and severe capacity fading per cycle of P3-NMC, indicating high robust structure stability by applying higher calcination temperature. The less stable structure also contributed to the fast degradation of the P3 phase at high current density. Thus, the high temperature P2 phase was still the best in sodium storage performance. Additionally, the sodium diffusion coefficient was calculated by cyclic voltammetry (CV) and demonstrated that the synergic effect of the two phases facile the sodium ion migration. Hard carbon||P2-NMC delivered a capacity of 80.9 mAh·g−1 and 63.3% capacity retention after 25 cycles.