Search Results (1,935)

Herein, we rationally designed a molecular catalytic filter for effective micropollutants decontamination via peroxymonosulfate (PMS) activation. Specifically, iron phthalocanine (FePc) molecules with defined Fe–N₄ coordination were immobilized onto carbon nanotubes (CNTs), forming a hybrid catalyst that integrated molecular precision with heterogeneous catalytic properties. The resulting CNT-FePc filter achieved a 98.4% removal efficiency for bisphenol A (10 ppm) in a single-pass operation system, significantly outperforming the CNT/PMS system without FePc (41.6%). Additionally, the CNT-FePc/PMS system demonstrated remarkable resistance to performance inhibition by common water matrix components. Unlike typical radical-dominated PMS activation processes, mechanistic investigations confirmed that the CNT-FePc/PMS system selectively promoted singlet oxygen (¹O₂) generation as the primary oxidative pathway. Density functional theory (DFT) calculations revealed that PMS exhibited stronger adsorption on FePc (−3.05 eV) compared to CNT (−2.86 eV), and that FePc effectively facilitated O–O bond elongation in PMS, thereby facilitating ¹O₂ generation. Additionally, seed germination assays indicated a significant reduction in the biotoxicity of the treated effluents. Overall, this work presents a catalyst design strategy that merges molecular-level coordination chemistry with practical flow-through configuration, enabling rapid, selective, and environmentally benign micropollutant removal. Full article

This review outlines a comprehensive methodology for the research and development of heterogeneous catalytic technologies (R&D_HeCaTe). Emphasis is placed on the fundamental interactions between reactants, solvents, and heterogeneous catalysts—specifically the roles of catalytic centers and support materials (e.g., functional groups) in modulating activation energies and stabilizing catalytic functionality. Particular attention is given to catalyst deactivation mechanisms and potential regeneration strategies. The application of molecular modeling and chemical engineering analyses, including reaction kinetics, thermal effects, and mass and heat transport phenomena, is identified as essential for R&D_HeCaTe. Reactor configuration is discussed in relation to key physicochemical parameters such as molecular diffusivity, reaction exothermicity, operating temperature and pressure, and the phase and “aggressiveness” of the reaction system. Suitable reactor types—such as suspension reactors, fixed-bed reactors, and flow microreactors—are evaluated accordingly. Economic and environmental considerations are also addressed, with a focus on the complexity of reactions, selectivity versus conversion trade-offs, catalyst disposal, and separation challenges. To illustrate the breadth and applicability of the proposed framework, representative industrial processes are discussed, including ammonia synthesis, fluid catalytic cracking, methanol production, alkyl tert-butyl ethers, and aniline. Full article

Industrial catalysts are accelerating the global transition toward renewable energy, serving as enablers for innovative technologies that enhance efficiency, lower costs, and improve environmental sustainability. This review explores the pivotal roles of industrial catalysts in hydrogen production, biofuel generation, and biomass conversion, highlighting their transformative impact on renewable energy systems. Precious-metal-based electrocatalysts such as ruthenium (Ru), iridium (Ir), and platinum (Pt) demonstrate high efficiency but face challenges due to their cost and stability. Alternatives like nickel-cobalt oxide (NiCo₂O₄) and Ti₃C₂ MXene materials show promise in addressing these limitations, enabling cost-effective and scalable hydrogen production. Additionally, nickel-based catalysts supported on alumina optimize SMR, reducing coke formation and improving efficiency. In biofuel production, heterogeneous catalysts play a crucial role in converting biomass into valuable fuels. Co-based bimetallic catalysts enhance hydrodeoxygenation (HDO) processes, improving the yield of biofuels like dimethylfuran (DMF) and γ-valerolactone (GVL). Innovative materials such as biochar, red mud, and metal–organic frameworks (MOFs) facilitate sustainable waste-to-fuel conversion and biodiesel production, offering environmental and economic benefits. Power-to-X technologies, which convert renewable electricity into chemical energy carriers like hydrogen and synthetic fuels, rely on advanced catalysts to improve reaction rates, selectivity, and energy efficiency. Innovations in non-precious metal catalysts, nanostructured materials, and defect-engineered catalysts provide solutions for sustainable energy systems. These advancements promise to enhance efficiency, reduce environmental footprints, and ensure the viability of renewable energy technologies. Full article

The precise synthesis of non-precious metal single-atom electrocatalysts is crucial for enhancing the yield of highly active reactive oxygen species (ROSs). Conventional oxidation methods, such as Fenton or NaClO processes, suffer from poor efficiency, high energy demand, and secondary pollution. In contrast, heterogeneous electro-Fenton systems based on cascade oxygen reduction reactions (ORRs), which require low operational voltage and cause pollutant degradation through both direct electron transfer and ROS generation, have emerged as a promising alternative. Recent studies showed that carbon cathodes decorated with atomically dispersed transition metals can effectively integrate the excellent conductivity of carbon supports with the tunable surface chemistry of metal centers. However, the electronic structure of active sites intrinsically hinders the simultaneous achievement of high activity and selectivity in cascade ORRs. This review summarizes the advances, specifically from 2020 to 2025, in understanding the mechanism of cascade ORRs and the synthesis of transition metal-based single-atom catalysts in cathode electrocatalysis for efficient wastewater treatment, and discusses the key factors affecting treatment performance. While employing atomically engineered cathodes is a promising approach for energy-efficient wastewater treatment, future efforts should overcome the barriers in active site control and long-term stability of the catalysts to fully exploit their potential in addressing water pollution challenges. Full article

Nowadays, nanosized mesoporous oxides are of increasing interest to scientists. They can be used as components of heterogeneous catalysts, for photo- and electrocatalysis, as gas sensors, etc. For instance, the desired properties in catalysts include a nano size and homogeneity of the particles that form the catalyst. The particle sizes of oxides are set at the initial stage of their formation, as precursors of precipitation in the context of wet chemistry. The creation of optimal conditions is possible through the use of homogeneous precipitation, where the precipitant is formed within the solution itself as a result of a hydrolysis reaction. The resolution of this issue involved the utilization of urea in our experimental setup, obtaining the hydrolysis products of ammonia and carbon dioxide. Consequently, precipitation reactions can be utilized to obtain hydroxides, carbonates, or hydroxy carbonates of metals. The precursors were calcined, obtaining nanosized mesoporous oxides, which can have a wide range of applications. Nanosized 0.1–50 nm metal oxides were obtained, including those aluminum, iron, indium, zinc, nickel, and cobalt. Full article

Divinylisoprene rubber, a copolymer of butadiene and isoprene, is used as raw material for rubber technical products, combining isoprene rubber’s elasticity and butadiene rubber’s wear resistance. These properties depend quantitatively on the copolymer composition, which depends on the kinetics of its synthesis. This work aims to theoretically describe how the monomer mixture composition in the butadiene–isoprene copolymerization affects the activity of the TiCl₄-Al(i-C₄H₉)₃ catalytic system (expressed by active sites concentration) via kinetic modeling. This enables development of a reliable kinetic model for divinylisoprene rubber synthesis, predicting reaction rate, molecular weight, and composition, applicable to reactor design and process intensification. Active sites concentrations were calculated from experimental copolymerization rates and known chain propagation constants for various monomer compositions. Kinetic equations for active sites formation were based on mass-action law and Langmuir monomolecular adsorption theory. An analytical equation relating active sites concentration to monomer composition was derived, analyzed, and optimized with experimental data. The results show that monomer composition’s influence on active sites concentration is well described by a two-step kinetic model (physical adsorption followed by Ti–C bond formation), accounting for competitive adsorption: isoprene adsorbs more readily, while butadiene forms more stable active sites. Full article

Steel pickling sludge serves as a valuable iron source for synthesizing Fe-based catalysts in heterogeneous advanced oxidation processes (AOPs). Here, MoS₂@CoFe₂O₄ catalyst derived from steel pickling sludge was prepared via a facile solvothermal approach and utilized to activate peroxymonosulfate (PMS) for tetracycline hydrochloride (TCH) degradation. Comprehensive characterization using scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), and X-ray diffraction (XRD) confirmed the supported microstructure, composition, and crystalline structure of the catalyst. Key operational parameters—including catalyst dosage, PMS concentration, and initial pH—were systematically optimized, achieving 81% degradation efficiency within 30 min. Quenching tests and EPR analysis revealed ∙SO₄^‒ as the primary oxidative species, while the catalyst maintained high stability and reusability across cycles. TCH degradation primarily occurs through hydroxylation, decarbonylation, ring-opening, and oxidation reactions. This study presents a cost-effective strategy for transforming steel pickling sludge into a high-performance Fe-based catalyst, demonstrating its potential for practical AOP applications. Full article

Ethanol upgrading via catalytic C–C coupling, commonly known as the Guerbet reaction, offers a sustainable route to produce 1-butanol, a high-performance biofuel. To address gaps in the mechanistic understanding of the catalytic reaction, we investigated the process involving a fixed-bed reactor, operated at 275–325 °C, 21 bar, and weight hourly space velocities of 0.25–2.5 g_EtOH/(g_cat·h), using helium as a carrier gas, with a 5:1 He/EtOH molar ratio. The catalyst was a MgO–Al₂O₃ mixed oxide (Mg/Al = 2:1), derived from a hydrotalcite precursor. A detailed kinetic model was developed, encompassing 15 species and 27 reversible steps (10 sorption and 17 reaction steps), within a 1+1D sorption–reaction–transport framework. Four C₄-forming pathways were included: aldol condensation to form crotonaldehyde, semi-direct coupling to form butyraldehyde and crotyl alcohol, and direct coupling to form 1-butanol. To avoid overfitting, Arrhenius parameters were grouped by reaction type, resulting in sixty rate parameters and one active site-specific density parameter. The optimized model achieved high accuracy, with an average prediction error of 1.44 times the experimental standard deviation. The mechanistic analysis revealed aldol condensation as the dominant pathway below 335 °C, with semi-direct coupling to crotyl alcohol prevailing above 340 °C. The resulting model provides a robust framework for understanding and predicting complex reaction networks in ethanol upgrading systems. Full article

Esterification is a key transformation in the production of lubricants, pharmaceuticals, and fine chemicals. Conventional processes employing homogeneous acid catalysts suffer from limitations such as corrosive byproducts, energy-intensive separation, and poor catalyst reusability. This review provides a comprehensive overview of heterogeneous catalytic systems, including ion exchange resins, zeolites, metal oxides, mesoporous materials, and others, for improved ester synthesis. Recent advances in membrane-integrated reactors, such as pervaporation and nanofiltration, which enable continuous water removal, shifting equilibrium and increasing conversion under milder conditions, are reviewed. Dual-functional membranes that combine catalytic activity with selective separation further enhance process efficiency and reduce energy consumption. Enzymatic systems using immobilized lipases present additional opportunities for mild and selective reactions. Future directions emphasize the integration of pervaporation membranes, hybrid catalyst systems combining biocatalysts and metals, and real-time optimization through artificial intelligence. Modular plug-and-play reactor designs are identified as a promising approach to flexible, scalable, and sustainable esterification. Overall, the interaction of catalyst development, membrane technology, and digital process control offers a transformative platform for next-generation ester synthesis aligned with green chemistry and industrial scalability. Full article

Fenton oxidation can contribute to meeting effluent standards for COD in actual wastewater treatment plant effluents. However, Fenton oxidation is prone to produce iron sludge waste. The application of heterogeneous Fenton-like systems based on Fenton iron mud carbon in wastewater treatment plants is essential for Fenton iron mud reduction and recycling. In this study, a Fenton iron mud carbon catalyst/Ferrate salts/H₂O₂ (FSC/Fe(VI)/H₂O₂) system was developed to remove chemical oxygen demand (COD) from secondary effluents at the pilot scale. The results showed that the FSC/Fe(VI)/H₂O₂ system exhibited excellent COD removal performance with a removal rate of 57% under slightly neutral conditions in laboratory experiments. In addition, the effluent COD was stabilized below 40 mg·L⁻¹ for 65 days at the pilot scale. Fe(IV) and ¹O₂ were confirmed to be the main active species in the degradation process through electron paramagnetic resonance (EPR) and quenching experiments. C=O, O-C=O, N sites and Fe⁰ were responsible for the generation of Fe(IV) and ¹O₂ in the FSC/Fe(VI)/H₂O₂ system. Furthermore, the cost per ton of water treated by the pilot-scale FSC/Fe(VI)/H₂O₂ system was calculated to be only 0.6209 USD/t, further confirming the application potential of the FSC/Fe(VI)/H₂O₂ system. This study promotes the engineering application of heterogeneous Fenton-like systems for water treatment. Full article

In the field of green chemistry, the development of more sustainable and cost-efficient methods for synthesizing primary amines is of paramount importance, with catalyst research being central to this effort. This work presents a facile, aqueous-phase synthesis of highly active cobalt catalysts (Co-Ph@SiO₂(x)) via pyrolysis of silica-supported cobalt–phenanthroline complexes. The optimized Co-Ph@SiO₂(900) catalyst achieved exceptional performance (>99% conversion, >98% selectivity) in the reductive amination of acetophenone to 1-phenylethanamine using NH₃/H₂. Systematic studies revealed that its exceptional performance originates from the in situ pyrolysis of the cobalt–phyllosilicate complex. This process promotes the uniform distribution of metal cobalt nanoparticles, simultaneously enhancing porosity and imparting bifunctional (acidic and basic) properties to the catalyst, resulting in outstanding catalytic activity and selectivity. The catalyst demonstrated broad applicability, efficiently converting diverse ketones (aryl-alkyl, dialkyl, bioactive) and aldehydes (halogenated, heterocyclic, biomass-derived) into primary amines with high yields (up to 99%) and chemoselectivity (>40 examples). This sustainable, non-noble metal-based catalyst system offers significant potential for industrial primary amine synthesis and provides a versatile tool for developing highly selective and active heterogeneous catalysts. Full article

Ultra-high-molecular-weight polyethylene (UHMWPE) is a pivotal material in engineering and biomedical applications due to its exceptional mechanical strength, wear resistance, and impact performance. However, its extreme melt viscosity, caused by extensive chain entanglements, severely limits processability via conventional melt-processing techniques. Recent advances in catalytic synthesis have enabled the production of disentangled UHMWPE (dis-UHMWPE), which exhibits enhanced processability while retaining superior mechanical properties. Notably, heterogeneous catalytic systems, utilizing supported fluorinated bis (phenoxy-imine) titanium (FI) catalysts, polyhedral oligomeric silsesquioxanes (POSS)-modified Z-N catalysts, and other novel catalysts, have emerged as promising solutions, combining structural control with industrial feasibility. Moreover, optimizing polymerization conditions further enhances chain disentanglement while maintaining ultra-high molecular weights. These systems utilize nanoscale supports and ligand engineering to spatially isolate active sites, tailor the chain propagation/crystallization kinetics, and suppress interchain entanglement during polymerization. Furthermore, characterization techniques such as melt rheology and differential scanning calorimetry (DSC) provide critical insights into chain entanglement, revealing distinct reorganization kinetics and bimodal melting behavior in dis-UHMWPE. This development of hybrid catalytic systems opens up new avenues for solid-state processing and industrial-scale production. This review highlights recent advances concerning interaction between catalyst design, polymerization control, and material performance, ultimately unlocking the full potential of UHMWPE for next-generation applications. Full article

Sulfion oxidation reaction (SOR) has great potential in replacing oxygen evolution reaction (OER) and boosting highly efficient hydrogen evolution. The development of highly active and stable SOR electrocatalysts is crucial for assisting hydrogen production with low energy consumption. In this work, multiphase NiCoFe-based layered double hydroxide (namely NiCoFe-LDH) has been synthesized via a facile seed-assisted heterogeneous nucleation method. Benefiting from its unique microsized hydrangea-like structure and synergistic active phases, the catalyst delivers substantial catalytic interfaces and reactive centers for SOR. Consequently, NiCoFe-LDH electrode achieves a remarkably low potential of 0.381 V at 10 mA cm⁻² in 1 M KOH + 0.1 M Na₂S, representing a significant reduction of 0.98 V compared to conventional OER. Notably, under harsh industrial conditions (6 M KOH + 0.1 M Na₂S, 80 °C), the electrolysis system based on NiCoFe-LDH||NF pair exhibits a cell potential of only 0.71 V at 100 mA cm⁻², which shows a greater decreasing amplitude of 1.05 V compared with that of traditional OER/HER systems. Meanwhile, the NiCoFe-LDH||NF couple could maintain operational stability for 100 h without obvious potential fluctuation, as well as possessing a lower energy consumption of 1.42 kWh m⁻³ H₂. Multiphase eletrocatalysis for SOR could indeed produce hydrogen with low-energy consumption. Full article

Polyoxometalates (POMs) surrounded by organic cations and related systems composed of POMs immobilized on functionalized Merrifield resin (MR) were synthesized, characterized and tested as catalysts for the oxidation of two natural terpenes, β-myrcene and β-caryophyllene, using H₂O₂ and TBHP as green oxidants. The ionic immobilization enabled easy catalyst recovery and reuse. The results showed high conversion and selectivity, with some catalysts maintaining their efficiency for at least three runs without leaching. The catalytic performances of both homogeneous and heterogeneous systems, along with the necessary characterizations, are discussed. Full article

ESG serves as a key metric for measuring corporate sustainability, but divergence among rating agencies has led to uncertainty in such an assessment. This investigation identifies ESG rating divergence as a critical catalyst for corporate digital transformation, establishing empirical analysis through a robust positive correlation between the heterogeneity in sustainability assessments and organizational digitalization intensity. Comprehensive robustness examinations and endogeneity controls substantiate the persistent significance of this relationship. Mechanistically, such divergence drives technological adaptation by restructuring the R&D team composition and elevating capital allocation toward innovative initiatives. Contextual heterogeneity manifests through amplified effects in firms with elevated analyst scrutiny and stringent internal governance, whereas pollution-intensive enterprises exhibit significant effect suppression. These findings collectively advance theoretical frameworks concerning ESG evaluation economics and digital transformation drivers, while furnishing actionable implementation blueprints for corporate digitization strategists. Full article