Search Results (383)

This study proposed a mechanochemical activation strategy using ethanol-diisopropanolamine (EDIPA) to improve the grindability and hydration reactivity of basic oxygen furnace slag (BOFS), aiming for its large-scale industrial utilization. The incorporation of EDIPA significantly refined the particle size distribution and reduced the repose angle. As a result, the compressive strength of BOFS paste increased by 25.4 MPa at 28 d with only 0.08 wt.% EDIPA. Conductivity tests demonstrated that EDIPA strongly complexes with Ca²⁺, Al³⁺, and Fe³⁺, facilitating the dissolution of active mineral phases, such as C₁₂A₇ and C₂F, and accelerating hydration reactions. XRD and TG analyses confirmed that the incorporation of EDIPA facilitated the formation of Mc (C₄(A,F)ČH₁₁) and increased the content of C-S-H, both of which contributed to microstructural densification. Microstructural observations further revealed that EDIPA refined Ca(OH)₂ crystals, increasing their specific surface area from 4.7 m²/g to 35.2 m²/g. The combined effect of crystal refinement and enhanced hydration product formation resulted in reduced porosity and improved mechanical properties. Overall, the results demonstrated that EDIPA provided an economical, effective, and scalable means of activating BOFS, thereby promoting its high-value utilization in low-carbon construction materials. Full article

In order to improve the durability performance of sticky rice–lime paste in ancient masonry restoration materials, the effect of graphene oxide–nanosilica hybrids (GO–NS) on its basic physical properties and durability performance was investigated. The surface morphology, physical phase characteristics and infrared spectra of GO–NS and its sticky rice–lime paste were analysed by SEM, FE-TEM, XRD and FTIR. It was shown that NS successfully attached to the GO surface and improved the interlayer structure of GO. GO–NS reduces the fluidity and shrinkage of sticky rice–lime paste, prolongs the initial setting, shortens the final setting and significantly improves the compressive strength, water resistance and freeze resistance. As NS improves the interlayer structure of GO, it provides nucleation sites for the hardening of the sticky rice–lime paste, improves the quantity and structural distribution of the hardening products and reduces the pores. The NS undergoes a hydration reaction with Ca(OH)₂ in the lime to produce calcium silicate hydrate (C–S–H), which further refines the internal pore structure of the sticky rice–lime paste. As a result, the GO–NS-modified sticky rice–lime paste has a denser interior and better macroscopic properties. Full article

Antioxidative neuroprotection is effective at preventing ischemic stroke (IS). Ferulic acid (FA) offers benefits in the treatment of many diseases, mostly due to its antioxidant activities. In this study, a glycosylated ferulic acid conjugate (FA-Glu), with 1,2,3-triazole as a linker and bioisostere between glucose at the C6 position and FA at the C4 position, was designed and synthesized. The hydrophilicity and chemical stability of FA-Glu were tested. FA-Glu’s protection against DNA oxidative cleavage was tested using pBR322 plasmid DNA under the Fenton reaction. The cytotoxicity of FA-Glu was examined via the PC12 cell and bEnd.3 cell tests. Antioxidative neuroprotection was evaluated, in vitro, via a H₂O₂-induced PC12 cell test, measuring cell viability and ROS levels. Antioxidative alleviation of cerebral ischemia–reperfusion injury (CIRI), in vivo, was evaluated using a rat middle cerebral artery occlusion (MCAO) model. The results indicated that FA-Glu was water-soluble (LogP −1.16 ± 0.01) and chemically stable. FA-Glu prevented pBR322 plasmid DNA cleavage induced via •OH radicals (SC% 88.00%). It was a non-toxic agent based on PC12 cell and bEnd.3 cell tests results. FA-Glu significantly protected against H₂O₂-induced oxidative damage in the PC12 cell (cell viability 88.12%, 100 μM) and inhibited excessive cell ROS generation (45.67% at 100 μM). FA-Glu significantly reduced the infarcted brain areas measured using TTC stain observation, quantification (FA-Glu 21.79%, FA 28.49%, I/R model 43.42%), and H&E stain histological observation. It sharply reduced the MDA level (3.26 nmol/mg protein) and significantly increased the GSH level (139.6 nmol/mg protein) and SOD level (265.19 U/mg protein). With superior performance to FA, FA-Glu is a safe agent with effective antioxidative DNA and neuronal protective actions and an ability to alleviate CIRI, which should help in the prevention of IS. Full article

An anion exchange-assisted technique was used for the synthesis of platinum-decorated SnO₂ supports, providing nanocatalysts with enhanced activity for the reduction of 4-nitrophenol (4-NP) to 4-aminophenol (4-AP). In this study, a series of SnO₂ supports, namely SnA (synthesized almost at room temperature), SnB (hydrothermally treated at 180 °C), and SnC (annealed at 600 °C), are systematically investigated, all loaded with 1 mol% Pt from H₂PtCl₆ under identical mild conditions. The chloride ions from the SnCl₄ precursors were efficiently removed via a strong-base anion exchange reaction, resulting in highly dispersed, crystalline ~5 nm cassiterite SnO₂ particles. All Pt/SnO₂ composites displayed mesoporous structures with type IVa isotherms and H₂-type hysteresis, with SP1a (Pt on SnA) exhibiting the largest surface area (122.6 m²/g) and the smallest pores (~3.5 nm). STEM-HAADF imaging revealed well-dispersed PtOx domains (~0.85 nm), while XPS confirmed the dominant Pt⁴⁺ and Pt²⁺ species, with ~25% Pt⁰ likely resulting from photoreduction and/or interactions with Sn–OH surface groups. Raman spectroscopy revealed three new bands (260–360 cm⁻¹) that were clearly visible in the sample with 10 mol% Pt and were due to the vibrational modes of the PtOx species and Pt-Cl bonds introduced due the addition and hydrolysis of H₂PtCl₆ precursor. TGA/DSC analysis revealed the highest mass loss for SP1a (~7.3%), confirming the strong hydration of the PtOx domains. Despite the predominance of oxidized PtOx species, SP1a exhibited the highest catalytic activity (k_app = 1.27 × 10⁻² s⁻¹) and retained 84.5% activity for the reduction of 4-NP to 4-AP after 10 cycles. This chloride-free low-temperature synthesis route offers a promising and generalizable strategy for the preparation of noble metal-based nanocatalysts on oxide supports with high catalytic activity and reusability. Full article

To investigate the effects of heavy-metal-sludge sintered aggregates on the workability, mechanical properties, and fracture toughness of ultra-high-strength concrete (UHSC), this study systematically evaluated the influence of different aggregate replacement ratios and particle gradations on the fluidity, flexural strength, compressive strength, and fracture energy of UHSC. Microstructural characterization techniques including SEM, XRD, TG, and FTIR were employed to analyze the hydration mechanism and interfacial transition zone evolution. The results demonstrated the following: Fluidity continuously improved with the increase in the sintered aggregate replacement ratio, with coarse aggregates exhibiting the most significant enhancement due to the “ball-bearing effect” and paste enrichment. The mechanical properties followed a trend of an initial increase followed by a decrease, peaking at 15–20% replacement ratio, at which flexural strength, compressive strength, and fracture energy were optimally enhanced; excessive replacement led to strength reduction owing to skeletal structure weakening, with coarse aggregates providing superior improvement. Microstructural analysis revealed that the sintered aggregates accelerated hydration reactions, promoting the formation of C-S-H gel and Ca(OH)₂, thereby densifying the ITZ. This study identified 15–20% of coarse sintered aggregates as the optimal replacement ratio, which synergistically improved the workability, mechanical properties, and fracture toughness of UHSC. Full article

The reaction of either the L (2S3R) or D (2R3S) enantiomers of H₂N-C*H(R)CO₂⁻ (R = -C*H(OH)CH₃ or -C*H(OH)CH(CH₃)₂) and the L (2S) or D (2R) enantiomers of H₂N-C*H(C(CH3)₂OH)CO₂⁻ with imidazole-4-carboxaldehyde and nickel(II) acetate in methanol yields a single stereoisomer of an oxazolidine. There is retention of chirality on ring positions 4 and 5 (if C_β is chiral) of the oxazolidine, C_α and C_β of the parent amino acid, and transfer of chirality to the newly generated stereogenic centers, ring positions 3, the amino acid nitrogen atom, N_AA, and 2, the aldehyde carbon atom, C_ald. Specifically, when C_α has an S configuration, both N_AA and C_ald are formed as R. Likewise, a C_α which is R results in both N_AA and C_ald being formed as S. For example, the reaction of L threonine (C_α is S and C_β is R) with 4-imidazolecarboxaldehyde in the presence of nickel(II) gives the facial Λ NiL₂, where L is (2R, 3R, 4S, 5R) 4-carboxylato-5-methyl-2-(4-imidazolyl)-1,3-oxazolidine. The same reaction with D threonine produces the enantiomeric Δ complex of (2S, 3S, 4R, 5S) 4-carboxylato-5-methyl-2-(4-imidazoyl)-1,3-oxazolidine. The high stereospecificity is thought to be based on the fused three-ring structure of the characterized nickel complexes in which the hydrogen atoms of C_α, N_AA, and C_ald must be cis to one another. Identical reactions occur with 2-pyridine carboxaldehyde and LT or DT. In contrast, the reactions of L allo threonine (2S3S) and the primary alcohols, L or D serine, give the conventional meridionally coordinated aldimine product. Full article

The phase-change solidification plugging material (PSPM), a novel type of plugging material for severe fluid loss in demanding formations, necessitates performance enhancement and deeper insight into its hydration mechanism. In this paper, with a foundational formula comprising a nucleating agent (S1), activator (M1), and deionized water, a comprehensive investigation was conducted. This involved basic performance testing, including fluidity, setting or thickening time, hydration heat analysis, SEM and XRD for hydration products, and conduction of kinetics model. The focus was on analyzing the effects of three additives on system properties, hydration process, and hydration products, leading to the inference of the hydration mechanism of PSPM. It was found that the structure additives (SA) and flow pattern regulator (6301) did not partake in the hydration reaction, focusing instead on enhancing structure strength and maintaining slurry stability, respectively. Conversely, the phase regulator (BA) actively engaged in the hydration process, transitioning the system from the KG-N-D to the KG-D model, thereby extending the thickening time without altering the final hydration products. The morphology and composition of the products confirmed that SI and M1 dissolve in the aqueous solution and progressively form Mg(OH)₂ and MgSO₄·zMg(OH)₂·xH₂O. The slurry gradually solidifies, ultimately resulting in the formation of a high-strength consolidated body, thereby achieving the objective of lost circulation control. Full article

This study aims to increase the particle size of the precipitate, aiming for an increasing settling speed. The effluent contains 21.88 g/L of sulfate, 526.5 mg/L of calcium, 2.9 mg/L of cadmium, 4.73 g/L of magnesium, 332.8 mg/L of manganese, and 205.8 mg/L of zinc. Based on thermodynamic simulations, evaluating the pH increase up to 9.0, it was possible to determine that the main species are CaSO₄·2H₂O(s), Mg(OH)₂(s), MnO₂(s), ZnO(s), and Cd(OH)₂(s). In the precipitation tests, it was determined that a concentration of 2.0 mol/L of Ca(OH)₂ resulted in a particle size of 12.2 µm. The increase of temperature has an opposite effect, decreasing 40% of the particle size at 80 °C in comparison to 25 °C. On the other hand, the reaction time increases particle size, reaching 300% of an increase from 10 min to 3 h. In the seed tests, it was found that a seed ratio of 10 g/L to 100 g/L with the CaSO₄ (2) seed had the greatest impact on particle size growth, resulting in a 700% increase in particle size compared to the test without seeds. In the settling tests, a sedimentation rate of 177 mL/min was achieved using seeds and flocculants, compared to 50 mL/min in the test without reagents. Full article

This study investigates the effects of the combined addition of MgO expansive agent (MEA) and rice husk ash (RHA) on the performance of concrete. Results show that MEA absorbs water and competes with superplasticizers for adsorption, reducing early-age fluidity. In the later stages, its reaction with RHA generates M-S-H gel, accelerating slump loss. At early ages (up to 7 days), due to the slow hydration of MEA and partial replacement of cement, fewer hydration products are formed. Additionally, the pozzolanic reaction of RHA has not yet developed, resulting in the low early strength of concrete. In the later stages, Mg(OH)₂ fills pores and enhances compactness, while the pozzolanic reaction of RHA further optimizes the pore structure. The internal curing effect also provides the moisture needed for continued MEA hydration, significantly improving later-age strength. Moreover, in the post-cast strip of a tall building, the internal curing effect of RHA ensures the effective shrinkage compensation by MEA under low water-to-cement ratio conditions. The restraint provided by reinforcement enhances the pore-filling effect of Mg(OH)₂, improving concrete compactness and crack resistance, ultimately boosting long-term strength and durability. Full article

(1) Background: Generation IV supercritical water-cooled reactors (SCWRs), including small modular reactor (SCW-SMR) variants, are pivotal in nuclear technology. Operating at 300–500 °C and 25 MPa, these reactors require detailed understanding of radiation chemistry and transient species to optimize water chemistry, reduce corrosion, and enhance safety. Boron, widely used as a neutron absorber, plays a significant role in reactor performance and safety. This study focuses on the yields of radiolytic species in subcritical and supercritical water exposed to ⁴He and ⁷Li recoil ions from the ¹⁰B(n,α)⁷Li fission reaction in SCWR/SCW-SMR environments. (2) Methods: We use Monte Carlo track chemistry simulations to calculate yields (G values) of primary radicals (e⁻_aq, H^•, and ^•OH) and molecular species (H₂ and H₂O₂) from water radiolysis by α-particles and Li³⁺ recoils across 1 picosecond to 0.1 millisecond timescales. (3) Results: Simulations show substantially lower radical yields, notably e⁻_aq and ^•OH, alongside higher molecular product yields compared to low linear energy transfer (LET) radiation, underscoring the high-LET nature of ¹⁰B(n,α)⁷Li recoil nuclei. Key changes include elevated G(^•OH) and G(H₂), and a decrease in G(H^•), primarily driven during the homogeneous chemical stage of radiolysis by the reaction H^• + H₂O → ^•OH + H₂. This reaction significantly contributes to H₂ production, potentially reducing the need for added hydrogen in coolant water to mitigate oxidizing species. In supercritical conditions, low G(H₂O₂) suggests that H₂O₂ is unlikely to be a major contributor to material oxidation. (4) Conclusions: The ¹⁰B(n,α)⁷Li reaction’s yield estimates could significantly impact coolant chemistry strategies in SCWRs and SCW-SMRs. Understanding radiolytic behavior in these conditions aids in refining reactor models and coolant chemistry to minimize corrosion and radiolytic damage. Future experiments are needed to validate these predictions. Full article

Antibiotic resistance has been recognized as a global threat to human health. Therefore, it is urgent to develop effective strategies to address the contamination of water environments caused by antibiotics. In this study, Fe/Mn bimetallic-modified biochar (FMBC) was synthesized through a one-pot oxidation/reduction-hydrothermal co-precipitation method, demonstrating an exceptional photocatalytic-Fenton degradation performance for oxytetracycline (OTC). Characterization techniques including FTIR, SEM, XRD, VSM, and N₂ adsorption–desorption analysis confirmed that the Fe/Mn bimetals were successfully loaded onto the surface of biochar in the form of Fe₃O₄ and MnFe₂O₄ mixed crystals and exhibited favorable paramagnetic properties that facilitate magnetic recovery. A key innovation is the utilization of biochar’s inherent phenol/quinone structures as reactive sites and electron transfer mediators, which synergistically interact with the loaded bimetallic oxides to significantly enhance the generation of highly reactive ·OH radicals, thereby boosting catalytic activity. Even after five recycling cycles, the material exhibited minimal changes in degradation efficiency and bimetallic crystal structure, indicating its notable stability and reusability. The photocatalytic degradation experiment conducted in a Fenton-like reaction system demonstrates that, under the conditions of pH 4.0, a H₂O₂ concentration of 5.16 mmol/L, a catalyst dosage of 0.20 g/L, and an OTC concentration of 100 mg/L, the optimal degradation efficiency of 98.3% can be achieved. Additionally, the pseudo-first-order kinetic rate constant was determined to be 4.88 min⁻¹. Furthermore, this study elucidated the detailed degradation mechanisms, pathways, and the influence of various ions, providing valuable theoretical insights and technical support for the degradation of antibiotics in real wastewater. Full article

Cyclohexane-containing semi-aromatic polyamides (c-SaPA) exhibit excellent comprehensive properties. Existing studies predominantly focus on synthesis and modification, while fundamental investigations into pyrolysis mechanisms remain limited, which restricts the development of advanced materials for high-performance applications such as automotive and energy systems. This study employs Reactive Force Field Molecular Dynamics (ReaxFF-MD) simulations to establish a pyrolysis model for poly(terephthaloyl-hexahydro-m-xylylenediamine) (PHXDT), systematically probing its pyrolysis kinetics and evolutionary pathways under elevated temperatures. The simulation results reveal an activation energy of 107.55 kJ/mol and a pre-exponential factor of 9.64 × 10¹³ s⁻¹ for the pyrolysis process. The primary decomposition pathway involves three distinct stages. The first is initial backbone scission generating macromolecular fragments, followed by secondary fragmentation that preferentially occurs at short-chain hydrocarbon formation sites alongside radical recombination. Ultimately, the process progresses to deep dehydrogenation, carbonization, and heteroatom elimination through sequential reaction steps. Mechanistic analysis identifies multi-pathway pyrolysis involving carboxyl/amide bond cleavage and radical-mediated transformations (N-C-O, C-C-O, OH· and H·), yielding primary products including H₂, CO, H₂O, CH₃N, C₂H₂, and C₂H₄. Crucially, the cyclohexane structure demonstrates preferential participation in dehydrogenation and hydrogen transfer reactions due to its conformational dynamic instability and low bond dissociation energy, significantly accelerating the rapid generation of small molecules like H₂. Full article

This research investigates whether metakaolin can be used as a partial substitution for slag to mitigate significant volume changes in alkali-activated slags. Its effect on compressive strength and workability (as well as on isothermal calorimetry, autogenous strain, and coefficient of thermal expansion (CTE)) were found to depend on both the type and concentration of the alkaline activator. When using 8 M and 10 M sodium hydroxide (NaOH), increasing the substitution rate increased the compressive strength. With sodium silicate (Na₂SiO₃), compressive strength decreased as the substitution increased. Isothermal calorimetry revealed metakaolin’s dilution effect at 10% substitution. With 8 M NaOH, a third reaction peak appeared, whose magnitude increased with the substitution rate, while the second peak decreased. The swelling was increased at 10% substitution, followed by constant shrinkage in case of NaOH-activation. Shrinkage was mitigated with Na₂SiO₃-activation. Higher substitutions with 8 M NaOH resulted in a significant increase in the shrinkage rate and CTE, occurring when the third reaction peak appeared. A 10% substitution delayed the CTE increase but resulted in higher later-age values (dilution effect). The 20% substitution led to a similar final CTE value at 300 h, while 30% substitution resulted in a decrease in CTE after the initial increase. Full article

Among biomass gasification syngas cleaning methods, non-catalytic reforming emerges as a sustainable and high-efficiency alternative. This study employed integrated experimental analysis and kinetic modeling to examine non-catalytic reforming processes of biomass-derived producer gas utilizing a synthetic tar mixture containing representative model compounds: naphthalene (C₁₀H₈), toluene (C₇H₈), benzene (C₆H₆), and phenol (C₆H₅OH). The experiments were conducted using a high-temperature fixed-bed reactor under varying temperatures (1100–1500 °C) and equivalence ratios (ERs, 0.10–0.30). The results obtained from the experiment, namely the measured mole concentration of H₂, CO, CH₄, CO₂, H₂O, soot, and tar suggested that both reactor temperature and O₂ content had an important effect. Increasing the temperature significantly promotes the formation of H₂ and CO. At 1500 °C and a residence time of 0.01 s, the product gas achieved CO and H₂ concentrations of 28.02% and 34.35%, respectively, while CH₄, tar, and soot were almost entirely converted. Conversely, the addition of O₂ reduces the concentrations of H₂ and CO. Increasing ER from 0.10 to 0.20 could reduce CO from 22.25% to 16.11%, and H₂ from 13.81% to 10.54%, respectively. Experimental results were used to derive a kinetic model to accurately describe the non-catalytic reforming of producer gas. Furthermore, the maximum of the Root Mean Square Error (RMSE) and the Relative Root Mean Square Error (RRMSE) between the model predictions and experimental data are 2.42% and 11.01%, respectively. In particular, according to the kinetic model, the temperature increases predominantly accelerated endothermic reactions, including the Boudouard reaction, water gas reaction, and CH₄ steam reforming, thereby significantly enhancing CO and H₂ production. Simultaneously, O₂ content primarily influenced carbon monoxide oxidation, hydrogen oxidation, and partial carbon oxidation. Full article

This study proposes a co-hydrothermal method for the dechlorination of polyvinyl chloride (PVC) and the preparation of hydrothermal carbon. During the co-hydrothermal process, lignin was mixed with PVC, with ammonium carbonate serving as a supplementary additive. The effects of hydrothermal temperature, reaction time, and ammonium carbonate concentration on the dechlorination efficiency of PVC and the pH value of the system are discussed. The experimental results showed that the incorporation of lignin and ammonium nitrate manifested a remarkable synergistic effect, which substantially augmented the dechlorination process of polyvinyl chloride (PVC). Under optimal conditions (220 °C, 240 min), the dechlorination efficiency of PVC reached 99.43%. The hydrothermal carbon derived from the co-hydrothermal process exhibited a 73.9% higher calorific value (31.07 MJ/kg) compared with that obtained from pure PVC (17.87 MJ/kg). A physicochemical characterization demonstrated that lignin effectively enhanced the uniform dispersion of PVC particles during hydrothermal treatment. Concurrently, ammonium carbonate increased the solution’s alkalinity, facilitating a nucleophilic attack by OH⁻ on C-Cl bonds and accelerating dechlorination through intensified substitution reactions. Full article