Search Results (25,264)

Poly(hydromethylsiloxane) (PHMS) was cross-linked with 1,3,5,7-tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane (D₄^Vi) in water-in-oil High Internal Phase Emulsions to form macroporous materials known as polyHIPEs. It was shown that in the process of pyrolysis under Ar atmosphere at 520 °C, the obtained polyHIPEs were converted to ceramers with high yields (82.8–88.0 wt.%). Structurally, the obtained ceramers were hybrid ceramics, i.e., they consisted of Si-O framework and preserved organic moieties. Macropores present in the polyHIPE precursors remained in ceramers. Ceramers contained also micro- and mesopores which resulted from the precursor’s mass loss during pyrolysis. Total pore volume and BET specific surface area related to the existence of micro- and mesopores in ceramers depended on the PHMS: D₄^Vi ratio applied in polyHIPE synthesis. The highest total pore volume (0.143 cm³/g) and specific surface area (344 m²/g) were reached after pyrolysis of the precursor prepared with the lowest amount of D₄^Vi as compared to PHMS. The composite materials obtained after deposition of PdO nanoparticles onto ceramers followed by reduction of PdO by H₂ were active and selective catalysts for phenylacetylene hydrogenation to styrene. Full article

Developing recyclable and self-healing non-isocyanate polyurethane (NIPU) from renewable resources to replace traditional petroleum-based polyurethane (PU) is crucial for advancing green chemistry and sustainable development. Herein, a series of innovative cross-linked Poly(hydroxyurethane-urea)s (PHUUs) were prepared using renewable carbon dioxide (CO₂) and vanillin, which displayed excellent thermal stability properties and solvent resistance. These PHUUs were constructed through the introduction of reversible hydrogen and imine bonds into cross-linked polymer networks, resulting in the cross-linked PHUUs exhibiting thermoplastic-like reprocessability, self healing, and closed-loop recyclability. Notably, the results indicated that the VL-TTD*-50 with remarkable hot-pressed remolding efficiency (nearly 98.0%) and self-healing efficiency (exceeding 95.0%) of tensile strength at 60 °C. Furthermore, they can be degraded in the 1M HCl and THF (v:v = 2:8) solution at room temperature, followed by regeneration without altering their original chemical structure and mechanical properties. This study presents a novel strategy for preparing cross-linked PHUUs with self-healing and closed-loop recyclability from renewable resources as sustainable alternatives for traditional petroleum-based PUs. Full article

The formation of environmentally persistent free radicals (EPFRs) is mediated by the particulate matter's surface, especially transition metal oxide surfaces. In the context of current atmospheric complex pollution, various atmospheric components, such as key atmospheric oxidants ·OH and O₃, are often absorbed on particulate matter surfaces, forming particulate matter surfaces containing ·OH and O₃. This, in turn, influences EPFRs formation. Here, density functional theory (DFT) calculations were used to explore the formation mechanism of EPFRs by C₆H₅OH on α-Fe₂O₃(0001) surface containing the ·OH and O₃, and compare it with that on clean surface. The results show that, compared to EPFRs formation with an energy barrier on a clean surface, EPFRs can be rapidly formed through a barrierless process on these surfaces. Moreover, during the hydrogen abstraction mechanism leading to EPFRs formation, the hydrogen acceptor shifts from a surface O atom on a clean surface to an O atom of ·OH or O₃ on these surfaces. However, the detailed hydrogen abstraction process differs on surfaces containing oxidants: on surfaces containing ·OH, it occurs directly through a one-step mechanism, while, on surfaces containing O₃, it occurs through a two-step mechanism. But, in both types of surfaces, the essence of this promotional effect mainly lies in increasing the electron transfer amounts during the reaction process. This research provides new insights into EPFRs formation on particle surfaces within the context of atmospheric composite pollution. Full article

Worldwide, synthetic compounds are used for both in-office and at-home dental care. They are a valuable resource for both prophylactic and curative treatments for various dental problems, such as tooth decay, periodontal diseases, and many more. They are typically preferred due to their broad range of actions and ability to produce targeted, rapid, and long-lasting effects. Using a 0.12% chlorhexidine mouthwash is capable of reducing the plaque index from 47.69% to 2.37% and the bleeding index from 32.93% to 6.28% after just 2 weeks. Mouthwash with 0.1% OCT is also highly effective, as it significantly lowered the median plaque index and salivary bacterial counts in 152 patients in 5 days compared to a control group (p < 0.0001), while also reducing the gingival index (p < 0.001). When povidone-iodine was used as an irrigant during the surgical removal of mandibular third molars in 105 patients, it resulted in notably lower pain scores after 2 days compared to a control group (4.57 ± 0.60 vs. 5.71 ± 0.45). Sodium hypochlorite is excellent for root canal disinfection, as irrigating with 1% NaOCl completely eliminated the bacteria from canals in 65% patients. A 0.05% CPC mouthwash proved effective for perioperative patient care, significantly decreasing gingival bleeding (p < 0.001) and suppressing Streptococcus levels even one week post-surgery. Lastly, a 6% H2O2 paint-on varnish and 6% H2O2 tray formulations successfully bleached the teeth of 40 patients, maintaining a noticeably whiter appearance up to the 6-month follow-up, with significant color differences from the baseline (p < 0.005). Synthetic compounds have a large research base, which also provides a greater awareness of their mechanism of action and potential adverse effects. For a better understanding of how they work, several methods and assays are performed. These are protocolary techniques through which a compound’s efficacy and toxicity are established. Full article

Exfoliated graphite (ExG) embedded in a polymeric matrix represents an accessible, cost-effective, and sustainable method for generating nanosized graphite-based polymer composites with multifunctional properties. This review article analyzes diverse methods currently used to exfoliate graphite into graphite nanoplatelets, few-layer graphene, and polymer-assisted graphene. It also explores engineered methods for small-scale pilot production of polymer nanocomposites. It highlights the chemistry involved during the graphite intercalation and exfoliation process, particularly emphasizing the interfacial interactions related to steric repulsion forces, van der Waals forces, hydrogen bonds, π-π stacking, and covalent bonds. These interactions promote the dispersion and stabilization of the graphite derivative structures in polymeric matrices. Finally, it compares the enhanced properties of nanocomposites, such as increased thermal and electrical conductivity and electromagnetic interference (EMI) shielding applications, with those of neat polymer materials. Full article

Climate change is a major concern for the sustainable development of global energy systems. Hydrogen produced through water electrolysis offers a crucial solution by storing and generating renewable energy with minimal environmental impact, thereby reducing carbon emissions in the energy sector. Our research evaluates current hydrogen production technologies, such as alkaline water electrolysis (AWE), proton exchange membrane water electrolysis (PEMWE), solid oxide electrolysis (SOEC), and anion exchange membrane water electrolysis (AEMWE). We systematically review life cycle assessments (LCA) for these technologies, analyzing their environmental impacts and recent technological advancements. This study fills essential gaps by providing detailed LCAs for emerging technologies and evaluating their scalability and environmental footprints. Our analysis outlines the strengths and weaknesses of each technology, guiding future research and assisting stakeholders in making informed decisions about integrating hydrogen production into the global energy mix. Our approach highlights operational efficiencies and potential sustainability enhancements by employing comparative analyses and reviewing advancements in membrane technology and electrocatalysts. A significant finding is that PEMWE when integrated with renewable energy sources, offers rapid response capabilities that are vital for adaptive energy systems and reducing carbon footprints. Full article

The aqueous-phase hydrogenolysis of glycerol was studied in Ni/CeO₂ catalytic systems prepared by incipient wetness impregnation. The operating conditions were 34 bar, 227 ºC, 5 wt.% of glycerol, and a W/m_glycerol = 20 g catalyst min/g glycerol without a hydrogen supply. The effect of the catalyst preparation conditions on the catalytic activity and physicochemical properties of the catalysts was assessed, particularly the calcination temperature of the support, the calcination temperature of the catalyst, and the Ni content. The physicochemical properties of the catalysts were determined by N₂ adsorption, H₂-TPR, NH₃-TPD, and XRD, among other techniques. A relevant increase in acidity was observed when increasing the nickel content up to 20 wt.%. The increase in the calcination temperatures of the supports and catalysts showed a detrimental effect on the specific surface area and acid properties of the catalysts, which were crucial to the selectivity of the reaction. These catalysts notably enhanced the yield of liquid products, achieving global glycerol conversion values ranging from 17.1 to 29.0% and carbon yield to liquids ranging from 12.6 to 24.0%. Acetol and 1,2-propanediol were the most abundant products obtained in the liquid stream. Full article

Mytilaria laosensis, a common fast-growing tree species in southern China, boasts excellent growth speed and attractive color and texture. However, due to its short growth cycle and high proportion of juvenile wood, it typically exhibits poor dimensional stability and low strength, which significantly limits its practical applications. This study uses vacuum impregnation to modify M. laosensis wood with polyethylene glycol (PEG), focusing on the effects and mechanisms of PEG with different molecular weights on wood properties. The results indicate that PEG enters the wood cell walls through capillary action and diffusion, forming hydrogen bonds with the free hydroxyl groups on cellulose and hemicellulose, which keeps the cell walls swollen and enhances dimensional stability. Post modification, the dimensional stability of M. laosensis wood improved, with an anti-swelling efficiency ranging from 61.43% to 71.22%, showing an initial increase followed by a decrease with increasing PEG molecular weight. The optimal PEG molecular weight for anti-swelling efficiency was 1500 Da, achieving 71.22%. The flexural modulus of elasticity and flexural strength of the treated wood also first decreased and then increased with increasing PEG molecular weight. Among them, the PEG1000-treated material showed the best performance, with the flexural modulus of elasticity increased by about 29% and the flexural strength increased by about 5% compared to untreated wood. Additionally, PEG, having a higher pyrolysis temperature than wood, raised the initial pyrolysis temperature and maximum pyrolysis rate temperature of M. laosensis wood, thus improving its thermal stability. These findings provide scientific evidence and technical support for the efficient utilization and industrialization of M. laosensis wood, promoting its widespread application and industrial development. Full article

Carvone belongs to the chemical family of terpenoids and is the main component of various plant oils. Carvone and its hydrogenated products are used in the flavouring and food industries. A quantitative thermodynamic analysis of the general network of carvone hydrogenation reactions was performed based on the thermochemical properties of the starting carvone and all possible intermediates and end products. The enthalpies of vaporisation, enthalpies of formation, entropies and heat capacities of the reactants were determined by complementary measurements and a combination of empirical, theoretical and quantum chemical methods. The energetics and entropy change in the hydrogenation and isomerisation reactions that take place during the conversion of carvone were derived, and the Gibbs energies of the reactions were estimated. It was shown that negative Gibbs energies are recorded for all reactions that may occur during the hydrogenation of carvone, although these differ significantly in magnitude. This means that all these reactions are thermodynamically feasible in a wide range from ambient temperature to elevated temperatures. Therefore, all these reactions definitely take place under kinetic and not thermodynamic control. Nevertheless, the numerical Gibbs energy values can help to establish the chemoselectivity of catalysts used to convert carvone to either carvacarol or to dihydro- and terahydrocarvone, either in carvotanacetone or carveol. Full article

In a world with severe pollution regulations and restrictions imposed to internal combustion engines, improving efficiency and reducing pollutant emissions and greenhouse gases are important goals for researchers. A highly effective method to achieve the premises written above is to use alternative fuels, which may have a strong influence on combustion processes in spark ignition engines. In order to increase the heat release rate during combustion, the brake thermal efficiency, and to decrease the levels of pollutant emissions and greenhouse gases, the use of sustainable alternative fuels, in parallel with conventional fuels is a great choice. Among alternative fuels, hydrogen is an excellent fuel in terms of its physical-chemical properties, making it an attractive replacement for classic fuels in the combustion process. This article demonstrates AMESim 13.0.0/Rev13 theoretical and experimental investigations conducted on a supercharged spark ignition engine at 55% engine load and 2500 rpm speed, analyzes the effect of 2.15% hydrogen that substitutes gasoline on combustion, implicitly investigates energy and fuel efficiency of the engine and investigates pollutant and greenhouse gas emission levels. These experimental investigations confirm the theoretical study of thermo-gas-dynamic processes of a SI engine fueled with gasoline and hydrogen, and it shows the importance of engine tunings and hydrogen quantity on engine operation. The obtained results indicate the advantages of fueling the engine with both gasoline and hydrogen: the increase of the heat release rate which leads to the increase of maximum pressure and maximum pressure rise rate during combustion, the increase of the brake thermal efficiency, the decrease of the combustion duration, the decrease of the brake specific energetic consumption by 4.8%, the decrease of the levels of pollutant emissions by 11.11% for unburned hydrocarbons HC, by 12.5% for monoxide carbon CO, by 63.23% for nitrogen oxides NO_x, and by 33.7% for carbon dioxide CO₂ as a greenhouse gas. Further research directions can be developed from this research for other operating regimes and other hydrogen quantities. Full article

(1) Background: Supercritical water-cooled reactors (SCWRs) and their smaller modular variants (SMRs) are part of the ‘Generation IV International Forum’ (GIF) on advanced nuclear energy systems. These reactors operate beyond the critical point of water (t_c = 373.95 °C and P_c = 22.06 MPa), which introduces specific technical challenges that need to be addressed. The primary concerns involve the effects of intense radiation fields—including fast neutrons, recoil protons/oxygen ions, and γ rays—on the chemistry of the coolant fluid and the integrity of construction materials. (2) Methods: This study employs Monte Carlo simulations of radiation track chemistry to investigate the yields of radiolytic species in SCWRs/SMRs exposed to 2 MeV neutrons. In our calculations, only the contributions from the first three recoil protons with initial energies of 1.264, 0.465, and 0.171 MeV were considered. Our analysis was conducted at both subcritical (300 and 350 °C) and supercritical temperatures (400–600 °C), maintaining a constant pressure of 25 MPa. (3) Results: Our simulations provide insights into the radiolytic formation of chemical species such as e⁻_aq, H^●, H₂, ^●OH, and H₂O₂ from ~1 ps to 1 ms. Compared to data from radiation with low linear energy transfer (LET), the G(e⁻_aq) and G(^●OH) values obtained for fast neutrons show a similar temporal dependence but with smaller amplitude—a result demonstrating the high LET nature of fast neutrons. A notable outcome of our simulations is the marked increase in G(^●OH) and G(H₂), coupled with a corresponding reduction in G(H^●), observed during the homogeneous chemical stage of radiolysis. This evolution is attributed to the oxidation of water by the H^● atom according to the reaction H^● + H₂O → ^●OH + H₂. This reaction acts as a significant source of H₂, potentially reducing the need to add extra hydrogen to the reactor’s coolant water to suppress the net radiolytic production of oxidizing species. Unlike in subcritical water, our simulations also indicate that G(H₂O₂) remains very low in low-density SCW throughout the interval from ~1 ps to 1 ms, suggesting that H₂O₂ is less likely to contribute to oxidative stress under these conditions. (4) Conclusions: The results of this study could significantly impact water-chemistry management in the proposed SCWRs and SCW-SMRs, which is crucial for assessing and mitigating the corrosion risks to reactor materials, especially for long-term operation. Full article

Most soybean producers in the Cerrado biome use the direct seeding system, making it essential to cultivate cash or cover crops in the off-season, to promote soil protection, as well as increase organic matter, which is directly related to improvements in the chemical and physical characteristics of these soils. In this sense, this work was conducted in Jataí, state of Goias, Brazil, to evaluate the physical-chemical attributes of the soil and the performance of soybeans cultivated in different crop succession systems cultivated for 6 years in the region of Jataí, GO. The experimental design was randomized blocks with four plots and four replications; the crops that followed soybeans were arranged as follows: T1—corn (Zea mays); T2—pearl millet (Pennisetum glaucum); T3—Urochloa ruziziensis; and T4—corn + Urochloa ruziziensis. Soybean yield components and grain yield were evaluated in two harvests (2020/2021 and 2021/2022). Deformed and undisturbed soil samples were collected in 2022 to assess soil fertility and for physical analysis. The data were subjected to analysis of variance (F test) and the means were compared using the Tukey test at 5% probability. The soybean–millet succession system stood out for the chemical and physical attributes of the soil: calcium, magnesium, base saturation, hydrogen + aluminum, and total porosity. The crop succession system did not affect yield for the two years analyzed, but the accumulated grain yields were higher in the crop succession soybean/corn intercropped. The results highlight the importance of using cover crops in improving the physical and chemical qualities of the soil in the long term. However, in the Cerrado, there is a predominance of the soybean/corn succession system motivated by financial issues to the detriment of the qualitative aspects of the soil, in which the introduction of Urochloa ruziziensis in intercropping with corn would improve the chemical attributes of the soil and have a long-term impact on the accumulated grain production. Full article

Electro-Fenton (EF) technology has shown great potential in environmental remediation. However, developing efficient heterogeneous EF catalysts and understanding the relevant reaction mechanisms for pollutant degradation remain challenging. We propose a new system that combines aluminum–air battery electrocoagulation (EC) with EF. The system utilizes dual electron reduction of O₂ to generate H₂O₂ in situ on the air cathodes of aluminum–air batteries and the formation of primary cells to produce electricity. Tetracycline (TC) is degraded by ·OH produced by the Fenton reaction. Under optimal conditions, the system exhibits excellent TC degradation efficiency and higher H₂O₂ production. The TC removal rate by the reaction system using a graphite cathode reached nearly 100% within 4 h, whereas the H₂O₂ yield reached 127.07 mg/L within 24 h. The experimental results show that the novel EF and EC composite system of aluminum–air batteries, through the electroflocculation mechanism and ·OH and EF reactions, with EC as the main factor, generates multiple •OH radicals that interact to efficiently remove TC. This work provides novel and important insights into EF technology, as well as new strategies for TC removal. Full article

In the endeavor to accomplish a fully de-carbonized globe, sparkling interest is growing towards using natural gas (NG) having as vastly major component methane (CH₄). This has the lowest carbon/hydrogen atom ratio compared to other conventional fossil fuels used in engines and power-plants hence mitigating carbon dioxide (CO₂) emissions. Given that using neat hydrogen (H₂) containing nil carbon still possesses several issues, blending CH₄ with H₂ constitutes a stepping-stone towards the ultimate goal of zero producing CO₂. In this context, the current work investigates the exergy terms development in high-speed spark-ignition engine (SI) fueled with various hydrogen/methane blends from neat CH₄ to 50% vol. fraction H₂, at equivalence ratios (EQR) from stoichiometric into the lean region. Experimental data available for that engine were used for validation from the first-law (energy) perspective plus emissions and cycle-by-cycle variations (CCV), using in-house, comprehensive, two-zone (unburned and burned), quasi-dimensional turbulent combustion model tracking tightly the flame-front pathway, developed and reported recently by authors. The latter is expanded to comprise exergy terms accompanying the energy outcomes, affording extra valuable information on judicious energy usage. The development in each zone, over the engine cycle, of various exergy terms accounting too for the reactive and diffusion components making up the chemical exergy is calculated and assessed. The correct calculation of species and temperature histories inside the burned zone subsequent to entrainment of fresh mixture from the unburned zone contributes to more exact computation, especially considering the H₂ percentage in the fuel blend modifying temperature-levels, which is key factor when the irreversibility is calculated from a balance comprising all rest exergy terms. Illustrative diagrams of the exergy terms in every zone and whole charge reveal the influence of H₂ and EQR values on exergy terms, furnishing thorough information. Concerning the joint content of both zones normalized exergy values over the engine cycle, the heat loss transfer exergy curves acquire higher values the higher the H₂ or EQR, the work transfer exergy curves acquire slightly higher values the higher the H₂ and slightly higher values the lower the EQR, and the irreversibility curves acquire lower values the higher the H₂ or EQR. This exergy approach can offer new reflection for the prospective research to advancing engines performance along judicious use of fully friendly ecological fuel as H₂. This extended and in-depth exergy analysis on the use of hydrogen in engines has not appeared in the literature. It can lead to undertaking corrective actions for the irreversibility, exergy losses, and chemical exergy, eventually increasing the knowledge of the SI engines science and technology for building smarter control devices when fueling the IC engines with H₂ fuel, which can prove to be game changer to attaining a clean energy environment transition. Full article

Internal combustion engines (ICEs) are one of the significant sources of wasted energy, with approximately 65% of their input energy being wasted and dissipated into the environment. Given their wide usage globally, it is necessary to find ways to recover their waste energies, addressing this inefficiency and reducing environmental pollution. While previous studies have explored various aspects of waste energy recovery, a comparative analysis of different bottoming configurations has been lacking. In this research, an extensive review of the existing literature was conducted by an exploration of four key bottoming cycles: the steam Rankine cycle (SRC), CO₂ supercritical Brayton cycle, inverse Brayton cycle (IBC), and air bottoming cycle. In addition, these four main bottoming systems are utilized for the waste energy recovery of natural gas-fired ICE with a capacity of 584 kW and an exhausted gas temperature of 493 °C. For the efficient waste heat recovery of residual exhausted gas and heat rejection stage of the main bottoming system, two thermoelectric generators are utilized. Then, the produced power in bottoming systems is sent to a proton exchange membrane electrolyzer for hydrogen production. A comprehensive 4E (energy, exergy, exergy-economic, and environmental) optimization is conducted to find the best main bottoming system for hydrogen production. Results showed that the SRC-based system has the highest exergy efficiency (21.93%), while the IBC-based system results in the lowest efficiency (13.72%), total cost rate (25.58 $/h), and unit cost of hydrogen production (59.91 $/GJ). This combined literature review and research article underscore the importance of finding an economically efficient bottoming cycle in the context of waste energy recovery and hydrogen production. Full article