Weight Hourly Space Velocity Research Articles

Nix/TiO2 catalysts for enhancing the selectivity of methylcyclohexane dehydrogenation

The dehydrogenation of methylcyclohexane (MCH) is a widely used hydrogen storage technology, but nowadays, precious metal catalysts such Pt are used for this reaction and non-precious metal catalysts suffer from low selectivity and instability problems. Two catalysts, Ni20/TiO2 and Ni20/Al2O3, were prepared through the improved co-precipitation method and their dehydrogenation performance of MCH was compared. It was found that the application of TiO2 carrier could significantly reduce the acidity of the catalysts, and the nickel particles could be stably dispersed on the carriers, which could effectively improve the selectivity of the target product (toluene). In addition, the influences of different Ni contents, reaction temperatures, and weight hourly space velocity (WHSV) on the performance of the catalysts were also evaluated, and the results showed that the catalyst with 17.16 % Ni content exhibited high activity with up to 86.48 % conversion of MCH and 96.51 % selectivity of toluene, under atmospheric pressure condition with the reaction temperature of 375 °C and WHSV of 1.9 h−1, while 96.03 % and only 42.64 %, respectively, for the Ni20/Al2O3 catalyst. In addition, the catalyst exhibited excellent anti-coking ability, indicating that it has a promising future for industrial applications.

Frustrated Lewis pair catalyst realizes efficient green diesel production

Hydrotreating renewable oils over sulfided metal catalysts is commercially applied to produce green diesel, but it requires a continuous sulfur replenishment to maintain catalyst activity, which inevitably results in sulfur contamination and increases production costs. We report a robust P-doped NiAl-oxide catalyst with frustrated Lewis pairs (i.e., P atom bonded with the O atom acts as an electron donor, while the spatially separated Ni atom acts as an electron acceptor) that allows efficient green diesel production without sulfur replenishment. The catalyst runs more than 500 h at a weight hourly space velocity (WHSV) of 28.3 h−1 without deactivation (methyl laurate as a model compound), and is able to completely convert a real feedstock of soybean oil to diesel-range hydrocarbons with selectivity >90% during 500 h of operation. This work is expected to open up a new avenue for designing non-sulfur catalysts that can make the green diesel production greener.

Improving the stability and reactivity of SAPO-11 catalyst for gas-phase beckmann rearrangement by a simple and effective alkali-treated approach

ε-Caprolactam (CPL) is an important organic chemical raw material for preparing nylon-6 fiber and polyamide engineering plastics. Traditional production technology based on concentrated sulfuric acid leads to serious environmental pollution. Herein, we develop an economical and environmentally friendly strategy based on SAPO-11 molecular sieve as catalyst to produce CPL. Importantly, alkali engineering strategy to treat SAPO-11 molecular sieve was profited to remove the framework P and increase much Si island edge structures, consequently formatting the larger mesopores and enhancing the acidic properties, thus the catalytic performance and stability of the catalyst were significantly improved. Compared with the original SAPO-11, SAPO-11-TH had outstanding catalytic performance, the conversion of CHO and the selectivity for CPL were still more than 92% and 87% respectively when the reaction continuous reacted for 5 h at 6 h−1 weight hourly space velocity (WHSV). Interestingly, we found that the reactants can complete the conversion within an extremely short residence time (0.86 s), thereby obtaining higher spatiotemporal yields. What else, the catalyst obtained from simple calcination still exhibited excellent catalytic performance. We provide a facile, intriguing and scalable approach to treat catalyst SAPO-11 molecular sieve to form larger mesopores and high acidic strength that can be applied in the many catalytic fields.

Highly efficient and stable hydrogen permeable membrane reactor for propane dehydrogenation

The synthesis of SAPO-34 hollow fiber membranes employs the ball-milling assistant method to enhance membrane yield and quality. These membranes are then combined with CrOx/Al2O3 catalyst to create a packed bed membrane reactor (PBMR) for propane dehydrogenation (PDH). The study investigates the impact of operating temperatures, weight hourly space velocities (WHSV), and sweep gas flow rates on the SAPO-34 zeolite membrane reactor's performance, comparing it to a traditional packed bed reactor (PBR). The removal of hydrogen from the reaction side significantly improves propane conversion, surpassing thermodynamic equilibrium. In PBMR, propylene selectivity slightly exceeds that in PBR, influenced by side reactions like hydrogenolysis and cracking after hydrogen removal. Furthermore, the SAPO-34 zeolite membrane reactor undergoes a prolonged stability test with frequent regeneration using pure propane as feedstock to simulate industrial conditions. It exhibits consistent performance over 120 regeneration cycles within 240 h, maintaining similar H2 permeability and H2/C3H8 selectivity as the fresh membrane post long-term testing.

Significantly enhanced low-temperature activity and SO2/H2O tolerance of Mn–Ce-Ox/TiO2 catalyst prepared by a facile citric acid assisted impregnation method

Two different Mn–Ce-Ox/TiO2 catalysts were prepared by ordinary impregnation (denoted as MCT) and citric acid assisted impregnation (denoted as MCT-CA) methods, respectively. Excellent NOx removal is achieved over MCT-CA for selective catalytic reduction with NH3 (NH3-SCR), and 100% NOx conversion is obtained at 125 °C under weight hour space velocity (WHSV) of 80000 mL/(gcat·h). Particularly, 100% NOx is converted on MCT-CA in the presence of 10 vol% H2O at 175 °C. As H2O and SO2 coexist in the reaction system for 9 h, NOx conversion can still be maintained >90%, much higher than that (22%) of MCT. A series of characterization results indicates that MCT-CA exhibits a larger BET specific surface area, pore volume, and pore size, which enhances the dispersion of Mn and Ce oxides and promotes the rapid adsorption of reactants and desorption of products. Additionally, MCT-CA possesses more Mn4+, Ce3+, chemisorbed oxygen species, and stronger reducibility, facilitating the conversion of NO to NO2. Specially, the amount of active NH3 species and active nitrate species on MCT-CA is much more than that over MCT. The combined effect of the aforementioned factors devotes to the excellent low-temperature SCR performance and tolerance to H2O/SO2 over MCT-CA.

Deciphering the Pivotal Reaction Conditions for Hydrogen Production from Tar Catalytic Cracking by Perovskite

The catalytic cracking of pyrolysis gasification tar into H2 has garnered significant attention due to its exceptional conversion efficiency. In this study, the effects of pollutant concentration, residence time, weight hourly space velocity (WHSV), and reaction temperature on the hydrogen performance of LaFe0.5Ni0.5O3 perovskite were comprehensively investigated. Results revealed that moderate pollutant concentration (0.3 g/L), low-medium residence time (250 SCCM), and low WHSV (0.24 gtoluene/(gcat·h)) facilitated efficient interaction between LaFe0.5Ni0.5O3 and toluene, thus achieving high hydrogen production. An increase in reaction temperature had minimal effect on the hourly hydrogen production above 700 °C but caused a significant increase in methane production. Additionally, the effects of oxygen evolution reactions, methane reactions, and methane catalytic cracking reactions of perovskite induced by different reaction conditions on tar cracking products were discussed in detail. Compared to previous reports, the biggest advantages of this system were that the hydrogen production per gram of tar was as high as 1.002 L/g, and the highest hydrogen content in gas-phase products reached 93.5%, which can maintain for approximately 6 h. Finally, LaFe0.5Ni0.5O3 showed good thermal stability, long-term stability, and catalyst reactivation potential.

Improvement of catalyst activity in cracking of n-hexane via metal (Fe/Ga) impregnation over ZSM-12 catalyst

In this research, zeolite ZSM-12 with Si/Al ratio = 80 was synthesized by hydrothermal method. The synthesized zeolite ZSM-12 was modified using Fe and Ga metals and a combination of these two metals, 1 % iron metals (Z80-Fe) and 1 % gallium metals(Z80-Ga), and a 2 % combination of these two metals (Z80-Fe-Ga). The physicochemical properties of synthesized zeolites were evaluated and compared by XRD, EDX-dot-mapping, NH3-TPD, BET, FT-IR, and TGA analyses. The catalytic assessment of synthesized zeolites in the HTO (n-hexane to olefins) process in a fixed bed reactor under atmospheric pressure and Weight hourly space velocity (WHSV) equal to 4 h−1 at 550 °C was evaluated. Various parameters such as selectivity towards light olefins, propylene to ethylene (P/E ratio), production of light alkanes, and aromatic compounds (BTX) were investigated. The results show that using metals led to the improvement and adjustment of the acid sites of zeolite, and the highest amount of light olefin and the lowest amount of coke were obtained. The result of the n-hexane to olefin process showed that the yield of light olefins was significantly improved in all modified catalysts compared to parent zeolite MTW. Compared to other modified zeolites, Z80-Fe-Ga zeolite has the highest yield of light olefins, equal to 59 %. This zeolite performs better due to the presence of gallium and iron metals and shows the highest propylene selectivity (P/E = 2.4). In addition, according to the results of the TGA analysis, the content of coke on the Z80-Fe-Ga catalyst after the catalytic reaction is much less than that of other catalysts after the catalytic reactor test.

Ni-CaO-CaZrO3 bi-functional materials for high purity hydrogen production via sorption enhanced steam reforming of ethanol

Ethanol is an ideal hydrogen carrier, which can be converted to hydrogen-rich syn-gas via the steam reforming reaction. Sorption-enhanced steam reforming is a promising approach to produce high-purity hydrogen by mixing the sorbent and catalyst particles. The idea of bi-functional materials, loading both sorption and catalytic site in a single particle, could transform the inter-particle heat-mass transfer to intra-particle heat-mass transfer. This work studied the sorption-enhanced steam reforming of ethanol (SESRE) over Ni-CaO-CaZrO3 bi-functional catalysts containing sorption and catalytic sites. Bi-functional Ni-CaO-CaZrO3 catalysts were synthesized using a simple sol-gel technique. The influence of operating conditions including temperature, steam-to-carbon ratio (S/C) and weight hourly space velocity (WHSV) on Ni10-Ca90Zr10 bi-functional materials were discussed. The operating condition with a temperature of 600 °C, weight hourly space velocity of 0.34 h−1 and steam-to-carbon ratio of 3 was the most suitable reaction condition for hydrogen production in this study. Over the optimized operation conditions, the influence of Ni loadings on hydrogen production performance was further studied. The result indicated that 10 wt% is the best Ni loading in this study for Ni-CaO-CaZrO3, which enables >95% hydrogen purity in the gaseous product in the pre-breakthrough stage, with the longest breakthrough time (90 min). Furthermore, under the best operation conditions, the Ni10-Ca90Zr10 displayed excellent stability over 10 cyclic tests. In the 10th cycle, about 90% hydrogen purity was constantly obtained for at least 60 min during the pre-breakthrough stages. This study demonstrated that the Ni10-Ca90Zr10 bi-functional material is effective and stable for producing hydrogen from ethanol and has the potential to establish a method of generating clean energy with minimal carbon emission.

Cu/MgO Reverse Water Gas Shift Catalyst with Unique CO2 Adsorption Behaviors.

Activation of inert CO2 molecules for the reverse water gas shift (RWGS) reaction is tackled by incorporating magnesium oxide as a support material for copper, forming a Cu/MgO supported catalyst. The RWGS performance is greatly improved when compared with pure Cu or carbon supported Cu (Cu/C). Operating under a weight hourly space velocity (WHSV) of 300,000 mL ⋅ g-1 ⋅ h-1, the Cu/MgO catalyst demonstrates high activity, maintaining over 70 % equilibrium conversion and nearly 100 % CO selectivity in a temperature range of 300-600 °C. In contrast, both Cu/C and commercial Cu, even at ten-times lower WHSV, can only achieve up to 40 % of the equilibrium conversion and quickly deactivated due to sintering. Based on the studies of in-situ temperature resolved infrared spectroscopy and temperature programmed desorption, the improved RWGS performance is attributed to the unique adsorption behavior of CO2 on Cu/MgO. Density functional theory studies provides a plausible explanation from a surface reaction perspective and reveals the spill-over property of CO2 from MgO to Cu being critical.

Hydrogen production potential from plastic pyrolysis oil: Experimental and economic insights

Large-scale H2 production conventionally relies on naphtha and natural gas steam reforming, contributing to global dependence on fossil fuels. This study investigates the potential of pyrolytic oil derived from waste personal protective kits as an alternative to fossil fuels for H2 production. Steam reforming was investigated using a three-level Box-Behnken design to optimize temperature, steam-to-carbon ratio (S/C), and weight-hourly space-velocity (WHSV) using Reformax-300 catalyst in a fixed-bed reactor. The generated experimental data aligned well with predicted models, yielding significant quadratic models with high R2 values. The optimal conditions suggested for a maximum 77.5% H2 yield and a 68.3% carbon conversion are 800℃, S/C=3.5, and WHSV of 0.5 h⁻¹. Techno-economic analysis suggested H2 production at $2.57/kg (₹214/kg) for a 250MT/yr plant with rate of return of 6.2% at 70% operational capacity, with feedstock price being the primary cost influencer as observed through sensitivity analysis.

Confining Bismuth-Halide Perovskite in Mesochannels of Silica Nanomembranes for Exceptional Photocatalytic Abatement of Air Pollutants.

Spatially confined photocatalysis has emerged as a viable strategy for the intensification of various redox reactions, but the influence of confined structure on reaction behavior is always overlooked in gas-solid reactions. Herein, we report a nanomembrane with confining Cs3 Bi2 Br9 nanocrystals inside vertical channels of porous insulated silica thin sheets (CBB@SBA(⊥)) for photocatalytic nitric oxide (NO) abatement. The ordered one-dimensional (1D) pore channels with mere 70 nm channel length provide a highly accessible confined space for catalytic reactions. A record-breaking NO conversion efficiency of 98.2 % under a weight hourly space velocity (WHSV) of 3.0×106 mL g-1 h-1 , as well as exceptionally high stability over 14 h and durability over a wide humidity range (RH=15-90 %) was realized over SBA(⊥) confined Cs3 Bi2 Br9 , well beyond its nonconfined analogue and the Cs3 Bi2 Br9 confine in Santa Barbara Amorphous (SBA-15). Mechanism studies suggested that the insulated pore channels of SBA(⊥) in CBB@SBA(⊥) endow concentrated electron field and enhanced mass transfer that render high exposure of reactive species and lower reaction barrier needs for ⋅O2 - formation and NO oxidation, as well as prevents structural degradation of Cs3 Bi2 Br9 . This work expands an innovative strategy for designing efficient photocatalysts for air pollution remediation.

Fractionation of critical metals from authentic acid mine drainage using a multi-bed immobilized amine sorbent setup: A field site study

For the first time reported, a flow-through multi-fixed bed immobilized amine/silica sorbent strategy was employed to fractionate purified critical metals from authentic acid mine drainage (AMD). The U.S. Department of Energy's (DOE) National Energy Technology Laboratory's (NETL) patented Multi-functional Sorbent Technology (MUST) sorbents were used to recover critical metals from AMD at the Pittsburgh Botanic Garden (Pittsburgh, PA USA). By adjusting the AMD/sorbent ratio, we recovered >80 % of pure adsorbed Mn (by adsorbed metal weight) and >90 % pure adsorbed Al at lab-scale. Further optimizing the weight hourly space velocity (WHSV) enhanced the rate of adsorbed Al recovery by over five times, justifying a field site test. After treating >100 L of AMD at the field site, the optimized polyamine/epoxysilane/aminosilane sorbent recovered approximately 0.7 wt% adsorbed Al at >90 % purity. A tangible amount of purified aluminum hydroxide [Al(OH)3] and aluminum sulfate [Al2(SO4)3] solids were then recovered after eluting and precipitating the previously adsorbed metals.

Key features of nano NixMg1-xAl2O4 spinel for biogas bi-reforming: CO2 activation and coke elimination

Using green and sustainable biogas as raw material to produce syngas (H2/CO≈2) suitable for direct synthesis of green methanol has attracted wide attention, but developing efficient catalysts with high activity/stability remains a big challenge. A series of MgAl2O4 spinel catalysts (denoted as NixMg1-xAl2O4) is designed and applied in biogas bi-reforming. The nano NixMg1-xAl2O4 catalysts were comprehensively characterized by Raman, SEM, HR-TEM, H2-TPR, CO2-TPD, etc. The CO2 activation was verified by in situ CH4-TPSR/CO2-TPO, and the key role of NixMg1-xAl2O4 in coke removal behavior mechanism was further confirmed. Due to the efficient CO2 adsorption/activation and strong metal–support interaction, nano NixMg1-xAl2O4 shows excellent catalytic stability to inhibit sintering and carbon deposition. At reforming conditions of 750 °C, a weight hourly space velocity (WHSV) of 32,400 mL gCat−1 h−1, the Ni0.4Mg0.6Al2O4 catalyst exhibits excellent CH4/CO2 conversion of 91/51 % are achieved, followed by slight decrease after 40 h, and remain basically stable for the next 40 h.

Influence of Rh addition to transition metal-based catalysts in the oxidative steam reforming of acetic acid

In this work, the Rh-promotion to transition metal (Ni and Co) CeO2-supported catalysts has been studied for the first time on the acetic acid oxidative steam reforming. Characterization of the prepared catalysts confirmed the promoting effect of rhodium addition, allowing lower crystallite size which increases the number of available active sites to reactants, along with higher reducibility as evidenced by temperature-programmed reduction (H2-TPR). The influence of the reaction temperature on the acetic acid conversion and hydrogen yield was assessed. Co-based catalysts achieved better catalytic performance than Ni-based samples, almost complete acetic acid conversion, and hydrogen yields were close to the equilibrium values at temperatures over 500 ºC. On the other hand, tests at higher weight-hour space velocity evidenced the superior activity of Co-Rh/CeO2 sample. This sample showed good stability with almost complete acetic acid conversion after 25 h time-on-stream, decreasing only the hydrogen yield by 7% after the first 8 h along with a slight increase in the acetone yield of about 6%. This suggests that after the acetic acid ketonization, acetone steam reforming advanced to a lesser extent on the reaction mechanism because of long-term slight catalyst deactivation.

Porous-media model based particle-resolved simulation of a fixed bed with olefin catalytic cracking reaction

Understanding the interstitial reacting flow in particle packing structure and its relation with the reaction performance is crucial to designing a highly efficient fixed bed reactor. This study uses a particle-resolved approach with a porous-media model-based immersed boundary method to simulate an olefin catalytic cracking (OCC) fixed bed with 150 cylindrical particles by combining a six-lump kinetic model and mass transfer model. The effects of weight hourly space velocity (WHSV) and particle shape are further investigated in analyzing conversion, concentration variation, flow structure and pressure drop. The study reveals a three-stage pattern in variation of product concentration along the packing structure height with different WHSVs, providing the basis for determining the optimal packing height. It also finds that the hollow-cylindrical particle manifests the best reaction performance while the cylindrical particle the worst. The coordination of surface area and pressure drop of the packing structure determines the OCC reaction effectiveness.

From a Batch to a Continuous Supported Ionic Liquid Phase (SILP) Process: Anhydrous Synthesis of Oxymethylene Dimethyl Ethers

AbstractOxymethylene dimethyl ethers (OMEn; CH3(−OCH2)n−OCH3) are promising sustainable synthetic fuels when produced from CO2 and green H2. The synthesis pathway presented here overcomes synthetic problems and includes the reaction of dimethoxymethane (OME1) with molecular gaseous formaldehyde in a novel continuous, anhydrous reaction setup. An initially performed wide batch‐catalyst screening highlighted the salts M[NTf2]x with M=Cu+, Co2+ and Mg2+ as especially interesting catalysts (NTf2=N(SO2CF3)2). Supported ionic liquid phase (SILP)‐catalysts were prepared on this basis and demonstrated the successful synthesis of OMEn in a continuous process. The SILP‐catalysts immobilized in the IL EMIM[BF4] showed a fast and strong deactivation, but those with the IL EMIM[NTf2] showed excellent catalytic performance and stable results in continuous operations exceeding 19 h. The influence of the weight hourly space velocity (WHSV), the reaction temperature as well as the storage conditions of the catalysts (inert vs non‐inert) were investigated. 90 °C was identified as ideal reaction temperature. High feed‐gas flows (WHSV=15.8 h−1) are preferable in terms of product selectivity SOME2‐5>90 mol‐ % with an OME1 conversion XOME1=5.10 mol‐ % at the same time. We also demonstrated that the catalysts can be stored in air for 50 days without loss of activity. The SILP‐catalysts were analyzed by NMR and IR spectroscopy. Furthermore, the thermodynamics of the reaction mechanism of some selected catalysts was calculated by DFT theory to this reaction.

Enhanced methanol to gasoline performance using nanosheet-like SAPO-11 catalyst

Herein, spherical and nanosheet-like SAPO-11s were successfully synthesized hydrothermally and utilized to catalyze the methanol-to-gasoline (MTG) process. The nanosheet-like SAPO-11 (SAPO-11-A) had a thickness of about 10 nm, while the spherical SAPO-11 (SAPO-11-B) had a particle size of around 11 μm. Compared to SAPO-11-B, the property of SAPO-11-A was enhanced by 42.9% in specific surface area (SSA), 38.1% in mesopore volume (Vme) and 20.2% in acid amounts, respectively. In terms of catalytic performance during the MTG reaction, SAPO-11-A demonstrated superior results not only in the methanol conversion (95.82%), gasoline-range hydrocarbons selectivity (58.76%) and iso/nparaffin ratio (8.17) but also in suppressed coke deposition (2.56%) compared with those (90.63%, 50.95%, 4.75 and 5.73%, respectively) of SAPO-11-B. Additionally, the optimal MTG process conditions were identified utilizing SAPO-11-A, demonstrating a methanol conversion rate of 98.34%, a gasoline hydrocarbon selectivity of 67.61%, an isoparaffin selectivity of 36.01% and an iso/nparaffin ratio of 10.94 at 380 °C, weight hourly space velocity (WHSV) of 2 h−1 and 1 MPa. These results highlight the potential of nanosheet SAPO-11 to produce gasoline-range hydrocarbons rich in isoparaffins.

Catalytic conversion of bioethanol over cobalt and nickel‐doped HZSM‐5 zeolite catalysts

AbstractThis study focuses on the use of H‐ZSM‐5 catalyst modified with transition metals for the conversion of ethanol into liquid fuel hydrocarbons. The HZSM‐5 catalyst was synthesized hydrothermally, and the transition metal (0.5 wt%) was incorporated by the incipient wetness impregnation method. The synthesized catalysts were tested in a fixed‐bed reactor at varying weight hourly space velocities (WHSVs) and temperatures to investigate their effects on the selectivity of the liquid hydrocarbon product. The pure and metal‐doped catalysts were characterized using XRD, FTIR, SEM–EDX, PSD, BET, N2 adsorption–desorption, and NH3‐TPD. The metal species were evenly dispersed on the catalyst support without affecting the porous framework significantly. The modification did not alter the morphology of the catalyst; however, the particle size was altered slightly. The pore distribution plot confirms the hierarchical porous framework of the catalyst. This unique feature facilitates internal diffusion and accelerates mass transfer, improving the selectivity and distribution of the liquid product. The catalytic evaluation showed ethanol conversion of more than 97% for all catalysts tested. A low space velocity (5 h−1) favored gaseous (C1‐C4) hydrocarbons, but more liquid products (C5+) were generated at 12 h−1 (at 350 and 400 °C), with metal‐doped catalysts showing higher selectivity (> 79%). In comparison with the unmodified catalysts, the metal‐doped catalysts enhanced the production of aromatics (benzene), with Ni/HZSM‐5 showing higher selectivity (> 4%). This study showed that the synthesized catalysts are active in the selective production of liquid hydrocarbon and improve the transformation of ethanol to fuel‐range hydrocarbons.

A flow-through catalytic membrane micro-reactor for hydrogen production by methanol steam reforming

A flow-through catalytic membrane micro-reactor (CMR) with Cu/ZnO/Al2O3 nanoparticles immobilized in porous membrane pores has been developed for hydrogen production by methanol steam reforming (MSR). The characteristics for CMR demonstrated Cu/ZnO/Al2O3 nanoparticles with almost 200 nm were successfully in situ immobilized in membrane pores. During MSR for hydrogen production in CMR by flow-through mode, hydrogen yield of 500 mmol h−1 g−1 and selectivity of 100% can be achieved under the condition of temperature being 360℃, molar ratio of water to methanol of 8.8 and weight hourly space velocity (WHSV) of 9.28 h−1. Compared with the commercial fixed bed reactor, the hydrogen productivity in CMR is one order of magnitude higher, owing to MSR confined in the space of membrane pore with micro-scale. The methanol conversion rate of over 95% can be expected, if five sheets of CMR with thickness of 5 mm were assembled in series.

Mn/Ce@HKUST-1 for Efficient Removal of Gaseous Thallium: Insights from Kinetic and Experimental Studies.

Gaseous thallium (Tl) pollution events, primarily caused by non-ferrous mineral refineries and fossil fuel combustion, have increased over the past few decades. To prevent gaseous Tl distribution from flue gas, MnO2/CeO2@HKUST-1 (MCH) was synthesized and found to achieve a gaseous Tl(I) removal level of up to 90% at 423 K, a weight hourly space velocity (WHSV) of 2000 h-1/mL with an Mn dose of 10%, maintained over 10 h. The best Mn/Ce ratio was found to be 9:1. To further investigate surface kinetic behavior, four commonly used kinetic models were applied, including the Eley-Rideal (ER) model, Langmuir-Hinshelwood (LH) model, Mars-van Krevelen (MVK) model, and pseudo-first-order (PFO) model. While the ER and LH models had the slightest deviation, the MVK model was the most reliable. The CatMAP software was also used to match the simulation deviation. This work demonstrated the Tl removal mechanism and provided insights into the accuracy of kinetic models on minor-radius heavy metal. Thus, this research may help promote the design of reactors, heavy metal removal rates, and flue gas purification technology selection.