Catalytic Process Research Articles

Self-Illuminating Copper-Luminol Coordination Polymers for Bioluminescence Imaging of Oxidative Damage.

Timely detection of reactive oxygen species (ROS) accumulated during inflammation is essential for an early disease diagnosis. Compared to fluorescence probes with limited sensitivity and accuracy, chemiluminescence (CL) imaging offers the potential for highly sensitive molecular visualization of ROS by minimizing background interferences. However, the development of bright and easily manufacturable CL probes for ROS imaging remains challenging. In this study, a novel chemiluminescent nanoprobe named Cu-Lum@NPs for ROS imaging in inflammation was synthesized by using a one-step solvothermal method. The Cu-Lum@NPs, which are composed of coordination polymers containing copper ions and luminol (Lum), demonstrate intrinsic peroxidase-like activity that relies on Cu(I) as the catalytic active center to initiate the Fenton reaction. This catalytic process facilitates the decomposition of hydrogen peroxide (H2O2) into hydroxyl radicals (•OH) and superoxide anion radicals (O2•-), leading to the oxidation of Lum and inducing strong luminescence. Cu-Lum@NPs, displaying nanozyme characteristics, were observed to accelerate and enhance the ROS-responsive luminescence (10-1600-fold in solution and over 100-fold in neutrophils) and notably extend persistent luminescence. The Cu-Lum@NPs allowed for CL imaging of endogenous ROS in living cells and animals with an outstanding signal-to-noise ratio exceeding 96 and facilitated oxidative damage luminescence imaging for tissue-specific detection. The study presents Cu-Lum@NPs, a highly sensitive and easily manufacturable chemiluminescent nanoprobe for ROS imaging both in vitro and in vivo, exhibiting enhanced luminescence and prolonged persistence for ROS-related disease detection.

In Situ Oxidative Ring-Opening of Calix[8]arene to Construct Stable Bismuth-Oxo Clusters with Exposed Catalytic Sites for Specific Electroreduction of CO2 to HCOOH.

Nanocluster catalysts typically face challenges in balancing stability with catalytic efficiency. This study introduces a unique bismuth-oxo cluster, solely protected by two ring-opened calixarenes, which demonstrates not only enhanced structural stability but also superior catalytic performance in the sustained conversion of CO2 to HCOOH via electrocatalysis. For the first time, we reveal that under specific solvothermal conditions, tert-butylcalix[8]arene (TBC[8]) can undergo in situ oxidative cleavage of its C-C bond, leading to ring-opened polyphenolic molecules. These molecules serve as protective ligands for the bismuth-oxo cluster, bestowing exceptional structural stability and offering a more flexible and diverse configuration compared to intact TBC[8]. This adaptability promotes the exposure of active bismuth sites on the cluster surface, enhancing catalytic efficiency. Notably, the Bi10 cluster, featuring a monobismuth active site, achieves an exceptional formate production efficiency of 98.79% at -1.25 V vs RHE while maintaining superb durability over 8 h. The stability and catalytic processes of Bi10 surpass those of the Bi13 cluster, which is structurally reinforced by two intact TBC[8] molecules and stabilized by four benzoic ligands. Through in situ infrared spectroscopy and density functional theory calculations, we demonstrate that the monobismuth active site in Bi10 more effectively stabilizes the *OCHO intermediate, thereby promoting the electrocatalytic reduction of CO2 to HCOOH compared to Bi13. This comparative performance underscores the potential of ring-opened calixarene ligands in enhancing the functionality of nanocluster catalysts.

Spin Crossover and Its Application in Organometallic Catalysis: Concepts and Recent Progress.

Spin crossover is one of the most important properties of open-shell metal complexes. In organometallic catalytic reactions, catalysts can alter reaction kinetics by spin crossover, i.e., accelerating or hindering the reaction progression, as well as altering reaction pathways, modulating the reaction selectivity or promoting new reactions. This personal account outlines the introduction and development of important concepts such as "two-state reactivity" involving spin crossover, and proposes a new concept, "spin-responsive catalysis" to summarize the catalytic processes in which spin effects are present. Finally, the electronic mechanism of spin crossover accelerating the reaction and the role of spin crossover in changing the reaction path and regulating the reaction selectivity are introduced by taking two recent typical iron-catalyzed reactions recently reported by our group as examples.

Reactivity of Polynuclear Niobium Oxynitride Cluster Anions Nb4N5-xOx - (x=0-5) toward N2.

The activation of N₂ under mild conditions remains a significant challenge in chemistry. Understanding how the composition of ligands modulates the reactivity of metal centers is pivotal for the rational design of efficient catalysts for nitrogen fixation. Herein, the reactions between polynuclear niobium oxynitride anions Nb4N5-xOx - (x=0-5) and N2 were investigated by employing mass spectrometry, photoelectron imaging spectroscopy, and theoretical calculations. The rate constants of Nb4N5-xOx -/N2 gradually decrease for x=0 to x=4, and then increase again for x=5. The sharp increase of the rate constants of Nb4O5 -/N2 corresponds to a decrease in the electron detachment energy of the Nb4O5 - cluster in the photoelectron spectroscopic experiments. Theoretical calculations suggest that the low-coordinated Nb-Nb sites in Nb4N5-xOx - (x=0-5) behaves as the active centers to bind N2 in the side-on/end-on manner. Mechanistic analysis reveals that reducing the N/O ratio leads to higher electron densities on the active Nb-Nb centers and decreased positive charge on the metal atoms, which hinders the approach of N2 to the clusters. This finding discloses fundamental insights into the impact of N/O ratio in fine-tuning the reactivity of metal centers toward N2 adsorption in related catalytic processes.

The bimetallic 3,5-dinitrobenzoate composites: A flexible-synergistic catalysts for high-performance decomposition of ammonium perchlorate

Composites of metal complexes have catalytic effects on the thermal decomposition of ammonium perchlorate (AP), while the kinetics and mechanism studies of the processes are seldom mentioned. Here, composite microspheres of cupric 3,5-dinitrobenzoate and cobalt 3,5-dinitrobenzoate [(3,5-DNB)Cox•Cuy] were synthesized and employed to research the kinetics and mechanism of AP catalytic decomposition. The decomposition peak temperature of AP in the presence of the (3,5-DNB)Cox•Cuy microspheres decreased from 403 °C (pure AP) to 288 °C, and the released heat increased by 384.5–745.6 J/g. Notably, the (3,5-DNB)Cox•Cuy microspheres significantly improved the kinetic rate constant by 1.83–37.75 times. The (3,5-DNB)Cox•Cuy microspheres exhibited higher activity than their corresponding single components for the thermal decomposition of AP, indicating excellent synergistic effects and proposing a possible mechanism. Understanding the kinetics and mechanism of the catalytic process developed in this study could further improve the decomposition performance of AP.

Microbial Enzymes for the Biodegradation of Polylactic Acid (PLA): Molecular Docking Simulation and Biodegradation Pathway Proposal

Polylactic acid (PLA), as a biodegradable polymer, finds widespread utility across diverse sectors, encompassing transportation, agriculture, biomedicine, textiles, electronics, and food packaging. Nonetheless, its degradation kinetics exhibit significant environmental sensitivity, necessitating the development of novel biotechnological methodologies to investigate the microbial and enzymatic constituents implicated in PLA biodegradation. In this review, molecular docking simulations are discussed to analyze the enzymatic degradation of PLA using specific enzymes: proteinase K, PLA depolymerase, and lipase. The binding energy, binding affinity, and dimensions of PLA-binding sites within the enzyme cavities have been examined for each enzyme. The binding amino acid residues mainly include serine, histidine, and aspartate for all plastics, while the interactions involve Van der Waals forces, conventional hydrogen bonding, carbon-hydrogen bonding, and Pi-interactions. Based on our synthesis of the literature, a theoretical PLA biodegradation pathway that illustrates the interaction pattern between PLA and the enzymes, as well as the degradation mechanism is proposed. Our review indicates that in natural environments, enzymes work synergistically, utilizing their unique properties to facilitate an efficient sequential catalytic process for PLA degradation. This integrative approach elucidates the mechanistic underpinnings and metabolic cascades governing PLA degradation, enriching insights into enzymatic catalysis and microbial enzyme-mediated plastic biotransformation. Consequently, a comprehensive understanding of these processes is paramount in optimizing biodegradation kinetics and enhancing the environmental performance of biodegradable polymers. This review provides a detailed framework for refining PLA management strategies and advancing sustainable polymer utilization.

Localized Oxidative Catalytic Reactions Triggered by Cavitation Bubbles Confinement on Copper Oxide Microstructured Particles.

Efficient energy transfer management in catalytic processes is crucial for overcoming activation energy barriers while minimizing costs and CO2 emissions. We exploit here a concept of CuO particle design with multiple gas-stabilizing sites, engineered to function as cavitation nuclei and catalysts. This concept facilitates the selective and efficient acoustic energy transfer directly to the catalyst surface, avoiding the undesired dissipation of acoustic energy into the bulk solution while demonstrating superior cavitation properties at lower acoustic pressure amplitudes. Utilizing a chemical thermometric approach, we demonstrate that the local temperature on the surface of our CuO particles during cavitation bubble implosions can create an effective equivalent temperature of about 360°C. This temperature effect facilitates the efficient catalysis of oxidative reactions using an organic probe molecule. Density functional theory (DFT) calculations were used to assess the decomposition of H2O2 and of pollutant probe molecule on CuO (111). Our work represents a significant advance in sonocatalytic systems, promising efficient energy use in catalytic reactions.

Localized Oxidative Catalytic Reactions Triggered by Cavitation Bubbles Confinement on Copper Oxide Microstructured Particles.

Efficient energy transfer management in catalytic processes is crucial for overcoming activation energy barriers while minimizing costs and CO2 emissions. We exploit here a concept of CuO particle design with multiple gas‐stabilizing sites, engineered to function as cavitation nuclei and catalysts. This concept facilitates the selective and efficient acoustic energy transfer directly to the catalyst surface, avoiding the undesired dissipation of acoustic energy into the bulk solution while demonstrating superior cavitation properties at lower acoustic pressure amplitudes. Utilizing a chemical thermometric approach, we demonstrate that the local temperature on the surface of our CuO particles during cavitation bubble implosions can create an effective equivalent temperature of about 360°C. This temperature effect facilitates the efficient catalysis of oxidative reactions using an organic probe molecule. Density functional theory (DFT) calculations were used to assess the decomposition of H2O2 and of pollutant probe molecule on CuO (111). Our work represents a significant advance in sonocatalytic systems, promising efficient energy use in catalytic reactions.

Biocatalytic degradation of environmental endocrine disruptor chlorobenzene via surfactant-optimized laccase-mediator system.

The emergence of environmental endocrine disruptor chlorobenzene (CB) in surface water and its potential environmental impacts have attracted serious global attention. It is still very difficult to achieve effective degradation of it by catalytic oxidation process under mild conditions. Here, an optimized method for degrading CB in aqueous solution using Trametes versicolor laccase and surfactant-assisted laccase-mediator (SALM) system was investigated. The use of a Tween 80 surfactant enhanced the solubility of CB and promoted its efficient degradation. Under favorable conditions, the SALM system yielded a degradation efficiency of 43.5% and a dechlorination efficiency of 41.55% for CB (25mg/L) within 24h. The possible degradation pathway of CB by this system was speculated by detecting the intermediates produced during the reaction. The outcome of the proliferation assays on MCF-7 human breast cancer cells demonstrated a reduction in the estrogenic activity of the CB solution following treatment with the SALM system. Furthermore, the influence of the quantity and positional variation of chlorine substituents on the degradation process was methodically investigated. Moreover, molecular analyses were employed to study the detailed interaction mechanism between laccase and CB, which revealed that the hydrophobic interaction contributed dominantly to binding process. These findings provide an efficient and environmentally friendly degradation system for the development of purification strategies for halogenated pollutants.

Hydrocoals from waste biomass via catalytic hydrothermal carbonization processing

Hydrocoals from waste biomass via catalytic hydrothermal carbonization processing

Efficient Toluene Decontamination and Resource Utilization through Ni/Al2O3 Catalytic Cracking.

Volatile organic compounds (VOCs), particularly aromatic hydrocarbons, pose significant environmental risks due to their toxicity and role in the formation of secondary pollutants. This study explores the potential of catalytic pyrolysis as an innovative strategy for the effective remediation and conversion of aromatic hydrocarbon pollutants. The research investigates the high-efficiency removal and resource recovery of the VOC toluene using a Ni/Al2O3 catalyst. The Ni/Al2O3 catalyst was synthesized using the impregnation method and thoroughly characterized. Various analytical techniques, including scanning electron microscopy, X-ray diffraction, and N2 adsorption-desorption isotherms, were employed to characterize the Al2O3 support, NiO/Al2O3 precursor, Ni/Al2O3 catalyst, and the resulting solid carbon. Results indicate that Ni predominantly occupies the pores of γ-Al2O3, forming nano/microparticles and creating interstitial pores through aggregation. The catalyst demonstrated high activity in the thermochemical decomposition of toluene into solid carbon materials and COx-Free hydrogen, effectively addressing toluene pollution while recovering valuable resources. Optimal conditions were identified, revealing that a moderate temperature of 700 °C is most favorable for the catalytic process. Under optimized conditions, the Ni/Al2O3 catalyst removed 1328 mg/g of toluene, generated 915 mg/g of carbon material, and produced 1234 mL/g of hydrogen. The prepared carbon material, characterized by its mesoporous structure and high specific surface area graphite nanofibers, holds potential application value in adsorption, catalysis, and energy storage. This study offers a promising approach for the purification and resource recovery of aromatic volatile organic compounds, contributing to the goals of a circular economy and green chemistry.

High-Selectivity Tandem Photocatalytic Methanation of CO2 by Lacunary Polyoxometalates-Stabilized *CO Intermediate.

Stabilizing specific intermediates to produce CH4 remains a main challenge in solar-driven CO2 reduction. Herein, g-C3N4 is modified with saturated and lacunary phosphotungstates (PWx, x = 12, 11, 9) to tailor the CO2 reduction pathway to yield CH4 in high selectivity. Increased lacuna of phosphotungstates leads to higher CH4 yield and selectivity, with a superior CH4 selectivity of 80% and 40.8 μmol·g-1·h-1 evolution rate for PW9/g-C3N4. Conversely, g-C3N4 and PWx alone show negligible CH4 production. The conversion of CO2 to CH4 follows a tandem catalytic process. CO2 is initially activated on g-C3N4 to form *CO intermediates, meanwhile photogenerated electrons derived from g-C3N4 transfer to PWx. Then the reduced PWx captures *CO, which is subsquently hydrogenated to CH4. With the injection of two photogenerated electrons, PW9 is capable of adsorbing and activating *CO. However, the reduced PW12 and PW11 are incapable of adsorbing *CO due to the small energy of occupied molecular orbitals, which is the reason for the poorer activity of PWx/g-C3N4 (x = 12, 11) compared with that of PW9/g-C3N4. This work provides new insights to regulate highly selective CO2 photoreduction to CH4 by utilizing lacuna of polyoxometalates to enhance the interaction of metals in polyoxometalates with key intermediates.

Coupling In nanoclusters and Bi nanoparticles in nitrogen-doped carbon for enhanced CO2 electroreduction to HCOOH

CO2 electrochemical reduction reaction (CO2RR) to formic acid (HCOOH) is beneficial for the recycling of carbon resources, which needs the highly selective catalysts with long-term stability for HCOOH production. In this study, the coupling of In nanoclusters (Inclus) and Bi nanoparticles (Binps) in nitrogen-doped carbon was designed by the thermal decomposition of the mixture of bimetallic MOFs and dicyanamide. When the In/Bi molar ratio was 1:2 (Inclus/Binps-1:2), the hybrid catalyst achieved a HCOOH Faradaic efficiency (FEHCOOH) of 94.5 % at −1.1 V vs reversible hydrogen electrode (RHE) in an H-type electrolysis cell, superior to that of single metal counterparts. Moreover, the Inclus/Binps-1:2 can maintain high stability of structures during the catalytic process, leading to no significant decay of FEHCOOH over 32 h. The enhanced performance of Inclus/Binps-1:2 is attributed to the strong electron interactions induced by the charge transfer between the In and Bi sites in Inclus/Binps-1:2 catalyst. The tuned electronic structure results in an offset effect that optimizes the binding energy to HCOO* intermediate, thus accelerating the CO2 to HCOOH conversion, as proven by the in-situ ATR-SEIRAS and density functional theory (DFT) calculations.

Heterogeneous Activation of Persulfate by Petal-Shaped Co3O4@BiOI to Degrade Bisphenol AF

In catalytic tests, the results have shown that almost all the BPAF was removed within 30 min when the dosage of Co3O4@BiOI and sodium persulfate (PS) was 0.15 g and 0.1 mM, respectively. Acid conditions inhibited BPAF degradation, but the inclusion of a precise concentration of bicarbonate ions (HCO3−) promoted degradation. The presence of chloride (Cl−), sulfate ions (SO42−), and a high concentration of HCO3− inhibited the degradation process, whereas the addition of nitrate ions (NO3−) had a minor effect on the catalytic process. The presence of free radicals (sulfate (SO4•−), hydroxyl (•OH), and superoxide (O2•−)) and the non-free radical singlet oxygen (1O2) in the Co3O4@BiOI/PS system was determined by electron paramagnetic resonance (EPR) and quenching tests. We propose that the Co(II)/Co(III) and Bi(III)/Bi(V) redox pairs simultaneously activate PS where the Co3O4 and BiOI components work synergistically to promote the rapid oxidative degradation of BPAF in water.

Recent Advances in Transition Metal-Catalyzed Ring-Opening Reaction of Aziridine

The smallest strained, saturated N-heterocycles, such as aziridine, can be a valuable building block in synthetic organic chemistry. Ring-opening reactions with various nucleophiles could be the most important strategy to synthesize various value-added molecular entities. Therefore, regioselective ring-opening reactions of aziridines with various heteroatomic nucleophiles and carbon nucleophiles establish a useful synthetic methodology to synthesize biologically relevant β-functionalized alkylamines. The regio-selective ring-opening of aziridines is highly dependent on the substrate combination, and stereochemical control is challenging for Lewis acid-promoted reactions. Therefore, the development of a robust, catalytic ring-opening process that assists in the accurate prediction of regioselectivity and stereochemistry is highly desirable. Consequently, a large number of publications detailing distinct methods for aziridine ring-opening reactions can be found in the literature. In this review, we discuss several transition metal catalyzed cross-coupling reaction protocols for the ring opening of substituted aziridines with various carbon nucleophiles.

Heterocyclic effect boosted peroxidase-like activity of MIL(Fe) metal-organic framework for colorimetric assay and dye removal

Metal-organic frameworks (MOFs) have emerged as promising candidates for enzyme mimics due to their abundant pore structures and adjustable active sites. The catalytic activity particularly depends on the electronic character of the organic ligand. In this study, we report an iron-based MOF nanozyme FeTDC, created by replacing the 1,4-dicarboxybenzene ligand with five-membered 2,5-thiophenedicarboxylic acid (H2TDC). In comparison with the phenyl analogue, the sulfur-based heterocyclic ligand demonstrates high electron delocalization, and a low pKa value, which are beneficial for enhancing the metal/ligand interactions. Accordingly, FeTDC can facilitate the oxidation of the benzidine substrate in the presence of H2O2, thereby exhibiting remarkable peroxidase-like activity. The generation of hydroxyl radical (•OH) at the Fe active sites contributes to the catalytic process. Furthermore, the smartphone-assisted colorimetric assay of pyrophosphate was developed with high sensitivity, based on its inhibitory effect. When FeTDC was utilized for the removal of benzidine dye under high-salt condition, a 90 % of removal rate was achieved due to the synergistic effect of enzyme catalysis and physical adsorption. This work presents a novel perspective of heterocyclic effect on the design of MOF nanozymes, thereby expanding their applicability in the control of pollutants.

Optimization of Palladium-Catalyzed One-Pot Synthesis of Functionalized Furans for High-Yield Production: A Study of Catalytic and Reaction Parameters

This study investigates the palladium-catalyzed one-pot synthesis of functionalized furans from 1,3-Dicarbonyl compounds and alkenyl bromides, focusing on various catalysts and reaction parameters. Different catalysts, including PdCl₂(CH₃CN)₂, Pd(OAc)₂, and Pd(acac)2 as well as solvents, bases, and oxidants, were systematically evaluated. PdCl₂(CH₃CN)₂ emerged as the most effective catalyst, achieving a remarkable yield of 94%. Optimal reaction conditions were identified as PdCl₂(CH₃CN)₂ in dioxane at 80 °C with K₂CO₃ as the base and CuCl₂ as the oxidant. This study also explored various 1,3-diketones including Cyclohexane-1,3-dione, 5,5-Dimethylcyclohexane-1,3-dione, 2H-Pyran-3,5(4H,6H)-dione, Cyclopentane-1,3-dione, Pentane-2,4-dione, Ethyl 3-oxobutanoate, 1,3-Diphenylpropane-1,3-dione, 1,3-Dip-tolylpropane-1,3-dione, 1,3-Bis(4-chlorophenyl)propane-1,3-dione, and 1,3-Bis(4-bromo- phenyl)propane-1,3-dione, alongside different alkenyl bromides such as allyl bromide, (E)-1-Bromo-3,4-dimethylpent-2-ene, 1-Bromo-3-methylbut-2-ene, 3-Bromocyclohex-1-ene, and (E)-1-Bromohex-2-ene. These variations demonstrated the method’s versatility and the significant impact of substituents on reactivity and reaction yield. These findings highlight the importance of optimizing reaction conditions to maximize efficiency and provide insights into improving catalytic processes for enhanced product yields.

Insight into the synergistic effect between plasma and oxygen vacancy in direct oxidation of CH4 to CH3OH by molecular O2 at mild condition

The direct conversion of methane into the value-added chemical methanol using molecular oxygen was investigated via plasma catalysis under mild condition. An efficient synergistic effect between plasma and catalyst was achieved using an oxygen vacancy-rich ZnO/Al2O3 catalyst. A high methanol selectivity of 48.5 % and a high synergy factor of 2.1 could be achieved simultaneously over ZnO/Al2O3 R300 catalyst. The presence of oxygen vacancies played a crucial role in methanol formation. A close relationship between oxygen vacancy content and methanol selectivity was established. In situ DRIFT and optical emission spectra were employed to identify key intermediates, and a plausible reaction mechanism was proposed. The CH3 and CH3O species were the key intermediates on the catalyst surface. The oxygen vacancy could efficiently adsorb the O radicals and accelerate the formation of CH3O species. This work offers insights into the rational engineering of efficient catalyst for plasma catalysis process.

Boosting electrocatalytic oxygen reduction of Fe-Co polyphthalocyanine via the synergy of metal component optimization and axial ligand modification

Conjugated metal polyphthalocyanine (MPPc) organic skeletons, a kind of novel porous materials containing inherent M−N4 highly active sites, are of great significance for oxygen reduction reaction (ORR). Herein, bimetallic Fe-Co phthalocyanine covalent polymers (denoted as FeCoPPc) were prepared as ORR electrocatalysts through a solvothermal process and subsequent oxidation treatment. Meanwhile, the effect of axial oxygen-containing ligands of metal centers on the catalytic kinetic processes was also investigated. Benefiting from the highly exposed bimetal active sites and the finely designed ligand structure, FeCoPPc with optimized Fe/Co ratio and ClO3− coordination (Fe0.9Co0.1PPc-ClO3) displayed an outstanding ORR electrocatalytic activity and superior durability compared to 20 % Pt/C, manifested by an onset potential of 0.986 V vs. reversible hydrogen electrode (RHE) and a half-wave potential of 0.923 V vs. RHE in a 0.1 M KOH solution. This work may guide the rational design of high-performance electrocatalysts to regulate the catalytic activity.

A platinum-coated staggered reactor to intensify lean hydrogen/air combustion: A large eddy simulation study

Catalytic-aided combustion has been proven effective for premixed hydrogen/air mixtures, particularly under lean to ultra-lean conditions. However, minimising the required catalyst sets a significant challenge because noble metals with high catalytic activity are rare and expensive. Therefore, this study aims to intensify the catalytic combustion process by investigating a non-planar reactor comprising an array of platinum-coated half- and full-cylinders through large eddy simulation. A premixed mixture with a fuel-lean equivalence ratio of 0.15 and an incoming Reynolds number of 3500 based on hydraulic diameter is used. For comparison, a planar reactor without cylinders is also studied under the same operating conditions and with the same amount of platinum-coated surface area. The simulation employs the turbulent kinetic energy sub-grid model and the eddy dissipation concept to model the turbulent catalytic reacting flow. The discrete ordinate model is used to account for radiation heat transfer in the catalytic process. Numerical simulations are validated against experimental results prior to analysis. The findings indicate that the placement of cylinders along the reactor length enhances convective mass transfer and intensifies catalytic combustion, resulting in effective combustion over a smaller catalytic surface. Compared to planar models, non-planar reactors demonstrate a much better H2 conversion efficiency throughout the reactor length, saving nearly 62.5 % of the catalyst.