Catalyst Particles Research Articles

NiAlFe catalysts based on hydrotalcite-like precursors for low temperature CO2 methanation: Electronic effects among components and intrinsic activity of Ni site

NiAlFe catalysts based on the hydrotalcite-like precursor were prepared and the catalysts exhibit excellent low temperature catalytic activity for CO2 methanation. CO2 conversion over the NiAlFe0.3 catalyst is nearly 80 % under the condition of T = 225 °C, P = 1 atm, and WHSV = 24000 mL/(g∙h). With the increase in the substitution of Fe for Al, the hydrotalcite-like structure of the catalyst precursor is gradually destroyed; the reducibility of NiO component is promoted; the amount of surface basic site decreases. There is a strong electronic push–pull effect between NiO and Al2O3 in the calcined catalyst, and the electronic effect is weakened with the introduction of Fe because Fe3+ shares the responsibility of Ni2+ for donating electron to Al3+. In the reduced catalysts, the Ni3Fe alloy was formed and the electrons are pushed from Ni0 to Fe0. With the increase in the Fe amount, the number of surface Ni atom decreases, while the intrinsic activity of Ni active site enhances. The number and intrinsic activity of Ni site are the main two factors determining the CO2 methanation activity at low temperature. Moreover, the substitution of Al3+ by Fe3+ is beneficial for the stability of the catalysts by inhibiting the agglomeration of catalyst particle.

Exploring the performance of Co/Al2O3–ZrO2 nanocatalysts developed through the thermal evaporation method in dry reforming of methane

Abstract This study aimed to investigate the performance of the thin layer nanostructures of Co/Al2O3–ZrO2 in the dry reforming of methane (DRM) in a microchannel reactor. The nanostructures were prepared via utilizing the thermal evaporation method. Reactor tests were carried out at various coating times of 2, 3, and 4 min and temperatures of 700, 750, and 800 °C with a feed flow rate of 10 ml/min and a 1:1:8 ratio of helium, carbon dioxide, and methane. Also, grazing incidence X-ray diffraction (GIXRD), field emission scanning electron microscopy (FESEM), and energy-dispersive X-ray (EDX) were used to identify catalyst features. According to the obtained results, the highest percentage of conversion in all samples was observed at 800 °C. The results of the reactor tests also revealed that the activity of catalyst layers highly depends on coating time. The findings demonstrated that raising deposition time improves the distribution of particle size and catalyst loading. Considering the nanostructure of Co/Al2O3–ZrO2, the sample undergoing 4 min coating time yielded the highest amount of primary methane conversion (89.3 %), primary carbon dioxide conversion (92.4 %), and H2/CO molar ratio (0.91). The stability test of the catalyst layers for 28 h at the optimum condition (P = 1 atm, T = 800 °C, t = 4 min deposition time, CH4/CO2 = 1, and GHSV = 48,000 mL g−1 h−1) showed that the catalysts prepared by this method had a good stability.

Water-Dispersible, Magnetically Recyclable Heterogeneous Cobalt Catalyst for C-C and C-N Cross-Coupling Reactions in Aqueous Media.

A cobalt catalyst supported on an iron oxide core, denoted as γ-Fe2O3@PEG@THMAM-Co, has been prepared and characterized by Fourier transform infrared spectroscopy, X-ray diffraction, field emission scanning electron microscopy, transmission electron microscopy, energy-dispersive X-ray mapping, thermogravimetry differential thermogravimetry, vibrating sample magnetometry, and inductively coupled plasma. Polyhydroxy end groups in the shell make the catalyst particles dispersible in water, allowing Hiyama, Suzuki, and C-N cross-coupling reactions of aryl iodides and bromides. The catalyst could be recovered by magnetic decantation and reused for at least five successive runs with a negligent decrease in its activity or changes in its morphology. Water as a solvent without requiring additives, surfactants, or organic co-solvents, as well as an abundant and low-cost cobalt catalyst combined with facile recovery, low leaching, and scalability, provides an environmentally and economically attractive alternative to established palladium-catalyzed C-C and C-N coupling reactions.

Construction of a novel OS/BiVO4 catalyst for enhancing the photocatalytic degradation performance of sulfonamide

Exploiting of high-value-added environmental materials related to oily sludge (OS) is an important development direction for OS resource utilization. A series of OS/BiVO4 catalysts were synthesized by activation-pyrolysis and hydrothermal methods. Photocatalytic performance was estimated through sulfanilamide (SA) degradation (SA) under visible light irradiation. The OS/BiVO4–20% has the best photodegradation ability for SA. The degradation rate of SA was about 97.8% after six hours of visible light irradiation. The first-order kinetics degradation rate constants of OS/BiVO4–20% for SA is 8.3 times that of pure BiVO4. The radical quenching and ESR experiments reveal that the hole (h+) and hydroxyl radical (·OH) were the primary active species for SA photocatalytic degradation. The presence of OS and H2O2 can significantly improve the charge separation efficiency, and inhibit electron-hole complexes, thereby extending the lifetime of electron carriers and producing many active hydroxyl radicals and holes on the surface of catalyst particles. Due to the introduction of OS, OS/BiVO4 has good texture properties and high oxygen absorption content, which is also conducive to the photodegradation of SA. Fourier-transform infrared (FTIR), in combination with two-dimensional correlation spectroscopy (2D-COS), indicated that the C–N (1351 cm-1), CC (1450 cm-1), SO2–N (1116 or 1182 cm-1), and N–H (1636 cm-1) groups can change in turn during the catalytic degradation process. This work improves the surface properties of BiVO4 semiconductor materials by introducing OS, thereby increasing the photodegradation efficiency of BiVO4 catalysts against antibiotics, which provides valuable insights into the design of next-generation photocatalysts.

Hydrodynamics in a randomly packed bed of cylindrical particles: A comparison between PR-CFD simulations and MRI experiments

Slender catalytic packed bed reactors are widely used in the chemical industry for chemical processes accompanied with significant heat liberation necessitating efficient heat removal. The employed catalyst particles are often cylindrical shaped, because these are easily manufactured via extrusion. The packing of these cylindrical particles results in a random structure of the bed causing flow maldistribution which reduces the reactor efficiency. The goal of this work is to capture the flow maldistribution with particle-resolved Computational Fluid Dynamics simulations and Magnetic Resonance Imaging experiments. By utilising the packing configuration reconstructed from the experiments, we are able to study the average fluid flow profiles and flow distribution in the bed as well as the local velocity profiles. It can be concluded that there is an overall good correspondence between the experiments and simulations. The minor deviations in the experimental and computed velocity distributions can be attributed to experimental error and slight differences in the experimental and reconstructed packing.

Gas-phase and liquid-phase purification of plastic waste derived carbon nanotubes: Effect of purification agent and operational parameters

The preparation of carbon nanotubes (CNTs) by catalytic pyrolysis of waste plastics is one of the most promising technologies to realize the harmless and high-value recycling of waste plastics. However, there are limited studies on the purification of waste-derived carbons, which is of significance for downstream applications. In this paper, the effects of different gas-phase purification conditions (temperature, gas type), liquid-phase purification (hydrochloric and nitric acid reflux), and combined gas-liquid purification on the properties of CNTs prepared from waste plastics were investigated. The as-obtained and purified CNTs were characterized using SEM, TEM, TPO, XRD, XPS, Raman spectroscopy, and FTIR spectroscopy. Results showed that operational temperatures have distinct impacts on the properties of CNTs during gas-phase purification. An appropriate temperature range for gas-phase purification was determined, with temperatures around 450 °C for air, 650 °C for CO2, and 700 °C for steam respectively, so that the amorphous carbon could be removed and the graphitization of CNTs was retained. Approximately 93 wt% of the metal catalyst particles could be removed with acid treatment for 4 h. In addition, carboxyl and hydroxyl functional groups were introduced to CNTs after acidic treatment. Furthermore, it was found that the approach combining CO2 treatment and nitric acid washing yielded CNTs with relatively higher quantities and lower defect levels. Results showed the properties of CNTs varied from the purification methods, which could meet different needs based on the downstream specific application requirements.

Preparation of easily-stripped and high-purity carbon nanotubes from various waste plastics

The conversion of waste plastics to carbon nanotubes (CNTs) through catalytic pyrolysis technology marks a significant advancement in environmental sustainability. This process not only mitigates environmental pollution but promotes the effective use of solid waste. However, the use of powder particle catalysts still faces a separation challenge after carbon deposition. To address this, a carbon paper-based catalyst has been introduced in this study, which possesses a milk thistle-like structure. The results shows that this catalyst facilitated the generation of easily-stripped CNTs on the surface of carbon paper. Around 9 wt% CNTs was collected from 1 g of polyethylene (PE), followed by polypropylene (PP), polystyrene (PS), and polyvinyl chloride (PVC). Thermogravimetric analysis revealed that CNTs constituted over 95 % of carbon deposition. The harvested CNTs-PE exhibited a more uniform diameter of around 15 nm, which is smaller compared to that of CNTs-PP, CNTs-PS, and CNTs-PVC. Further cyclic experiments confirmed the reusability of carbon paper as a catalyst support, with the yield of CNTs remaining nearly constant over five cycles. This innovative approach paves the way for recycling plastic waste into high-valued CNTs that can be easily-stripped from the support materials with simple physical operations such as pickling.

The effects of drag models and operating condition on the simulation of photocatalytic degradation of pesticides in a fluidized bed reactor.

Fluidized bed reactor can enhance mass transfer and increase reaction rate. Numerical simulation helps to optimize fluidized bed reactors. The present paper models the photocatalytic oxidation of 2,4-dichlorophenoxy acetic acid in a fluidized bed reactor using the Eulerian-Eulerian model. The drag models have influences on the distribution of catalysts particles. The bed expands under the fluid flow and reaches a quasi-steady height at approximately 3s. The asymmetric distribution of catalysts with respect to the axis plane is predicted. The Gidaspow model predicts the nearly same bed expansion with the experimental data, whereas the Syamlal-O Brien model overestimates it. The simulation results at two pH values are in accordance with the experimental data. The removal in the continuous stirred tank reactor decreases with the increase in flow rate.

Enhanced Selective Degradation of Pharmaceutical and Personal Care Products by β-Cyclodextrin-Decorated ZIF-67 Nanocomposites in Reclaimed Water.

A peroxymonosulfate oxidation system was developed via modification of β-cyclodextrin (β-CD) on the surface of Fe2+-doped ZIF-67 (CD/Fe@ZIF-67) as an activator. The 99.7% carbamazepine, 91.3% bisphenol A (BPA), and 95.4% diclofenac (DCF) degradation efficiency were achieved within 10 min, 60, and 1 min, respectively. The hydrophobicity of these three pollutants is positively correlated with their adsorption kinetic constants by CD/Fe@ZIF-67 due to the introduction of β-CD. Scavenger experiments and electron spin resonance spectra confirmed that carbamazepine was preferentially oxidized by SO4•- [λ(SO4•-)(70.5%) > λ(•OH)(28.2%) > λ(O2•-)(1.3%)], where SO4•- and O2•- played dominant roles in the degradation of BPA [λ(SO4•-)(71.7%) > λ(O2•-)(22.8%) > λ(•OH)(5.5%)], and O2•- was responsible for DCF removal [λ(O2•-) = 93.2%]. Additionally, the particulate catalyst was immobilized in the shell side of a ceramic membrane in a membrane reactor for catalyst recovery. This reactor achieved nearly 100% removal efficiency under optimal conditions: 0.036 wt % catalyst loading, 0.5 mM peroxymonosulfate concentration, 1 L inflow, 10 mg/L initial carbamazepine concentration, and 0.012 L/min hydraulic retention time. In summary, this study elucidates the active role of β-CD in a polymetallic/peroxymonosulfate system and provides valuable insights into the development of effective oxidation methods for pharmaceutical and personal care products in wastewater.

The liquid-phase hydrogenation of TMCB for preparation of CBDO by fluorine-modified Ruthenium-Stannum bimetallic catalysts

A series of Ruthenium-Stannum bimetallic catalysts were prepared using the isovolumetric impregnation method and investigated for the liquid-phase hydrogenation of 2,2,4,4-tetramethyl-1,3-cyclobutanedione to its corresponding 2,2,4,4-tetramethyl-1,3-cyclobutanediol. The effects of the reaction temperature and pressure, fluorine-modified alumina, reaction solvent, and catalyst particle size on the catalytic performance were discussed. The optimum reaction conditions were obtained with a temperature of 80 ℃, a hydrogen pressure of 4.0 MPa, and a reaction solvent of tetrahydrofuran. In addition, characterization techniques, such as BET, XRD, TEM, NH3-TPD, and Py-IR, showed that the active component nanoparticles were effectively introduced into the alumina carriers, and the alumina was modified by a low concentration of NH4F solution (0.05 mol/L), which ensured that the complete conversion of 2,2,4,4-tetramethyl-1,3-cyclobutanedione was obtained while maintaining a selectivity of over 95 % for the 2,2,4,4-tetramethyl-1,3-cyclobutanediol.

One-pot anchoring BaBi2O6/Bi2O3 nanoparticles on oxygen vacancy rich TiO2: Double Z-scheme nanocomposites with QDs size for elimination of wastewater pollutants

The emergence of nanostructured photocatalysts with high activity offers facile solutions for removing water pollutants. In this study, a novel double Z-scheme TiO2-x/BaBi2O6/Bi2O3 nanocomposite with QDs size of about 5.52 nm was prepared by a facile one-pot hydrothermal procedure, and its activity was studied in the photocatalytic degradation of pharmaceutical and dye pollutants. The optimized nanocomposite showed a significant efficiency in the removal of tetracycline, rhodamine B, fuchsine, methylene blue, and chromium (IV), which was 12.4, 7.38, 11.1, 10.2, and 12.1 times higher than pure TiO2-x, respectively. The presence of oxygen deficiency in the crystal lattice of TiO2-x/BaBi2O6/Bi2O3 nanocomposite played a significant role in the effectual separation of photoexcited charges, increasing reactive active sites, and capturing charge carriers. Besides, providing a short distance for the rapid migration of charges to the surface of the nanocomposite was possible with the quantum size of the catalyst particles. Enforced by the established double Z-scheme heterojunctions, the charge segregation was considerably enhanced along with maintaining their redox capability. Finally, biocompatibility tests showed the harmlessness of the treated solution for agricultural use.

Green Manufacturing of UHPFRC Made with Waste Derived from Scrap Tires and Oil Refineries

Ultrahigh-performance fiber-reinforced cement-based composite (UHPFRC) made with waste derived from scrap tires and oil refineries was tested in this study. The UHPFRC sample exhibited a maximum compressive strength of about 189 MPa at the end of 28 days. Steel fibers were recovered from scrap tires and were added up to 3% by volume in the UHPFRC samples. Such additions reduced cement flow by 11% but improved compressive strength by 21%. The equilibrium catalyst particles (ECAT) disposed of by oil refineries were used in amounts of up to 15% by weight as a replacement for cement in such UHPFRC samples. These aluminosilicate materials are spherical in shape and have a porous microstructure, which was found to reduce the cement flow by absorbing more free water onto their surfaces. They also reduced the heat and strength developments at early stages. However, the total cost of the final cement-based mixture and associated CO2 emissions were reduced by up to 7% and 15% due to the inclusion of the ECAT particles. These findings help to optimize the ECAT and recovered steel fibers in the UHPFRC mix design, and such waste valorization strategies can help achieve the goal of becoming carbon neutral.

Analysis of HZSM‐5 molecular sieve particles attrition behavior under fluidized conditions

AbstractThe attrition behavior of HZSM‐5 zeolite catalyst particles at room temperature was investigated in a laboratory‐scale fluidized bed. The effects of three fluidization conditions on particle attrition were investigated, and a new attrition model was proposed. The results demonstrate that the attrition rate is inversely proportional to the initial particle size and proportional to the apparent gas velocity. After increasing to 80 μm and .3 m/s respectively, they are no longer the main factor affecting attrition. The effect of bed pressure on attrition rate is nonlinear, and the lowest attrition rate is obtained when the diameter‐height ratio is 1:1. Unsteady attrition stage can be divided into initial stage and deceleration stage. Surface delamination dominates particle attrition throughout the whole process, and bulk fracture is the dominant mechanism only in the deceleration stage. Based on the Gwyn equation, a new attrition model in the form of cubic polynomial is established with the ratio of total attrition rate to unstable attrition rate P as a parameter. The model has high accuracy and repeatability and is suitable for various fluidization conditions. It can effectively describe the attrition process and change rule of particles and reasonably predict the fluidization attrition rate of particles.

Controllable Preparation and Mechanism Study of Easy‐Peel High‐Density and Vertically Aligned Carbon Nanotube Forests

The stripping of carbon nanotube forests (CNTF) is an urgent problem in terms of its application in thermal management and semiconductor devices. The easy‐peel and vertically aligned CNTF is prepared in a two‐step process of high vacuum magnetron sputtering and chemical vapor deposition. Based on the thick alumina buffer layer, CNTF with heights of 100 μm, 300 μm, and 500 μm was prepared by adjusting the magnetron sputtering power. Through SEM observation and calculation, the corresponding densities were 2.5 × 109 cm−2, 6.4 × 109 cm−2, and 1.21 × 1010 cm−2, with an average curvature of 1.64 × 102 m−1, 1.35 × 102 m−1 and 0.53 × 102 m‐−1, respectively. The TEM, XPS, Raman, and TGA were used to investigate the growth mechanism of CNTF. The experimental results show that the catalyst particles annealed under high sputtering power refined with high density can grow a low‐defect, well‐oriented, and high‐density CNTF, and confirm the tip growth route. Further analysis shows that the easy‐peel properties of CNTF depend on the thickness of the alumina layer, the tip growth route, and the tight entanglement between the nanotubes. This paper provides technical guidance and support for the preparation, stripping, and application of monolithic CNTF.

Core–Shell catalyst particles for tandem catalysis: An experimental/numerical approach towards optimal design

Tandem catalysis is a promising approach to intensify chemical processes and increase their efficiency. On the other hand, the design of efficient, optimal and targeted tailored tandem catalysts is yet so challenging as the optimal catalyst loading is difficult to assess a priori. In this article, we present a concise route towards the design of optimal core–shell tandem catalyst particles on the example of coupled RWGS and FTS reactions for any specific spherical morphology. The route features five consecutive steps including: tandem system identification, catalyst synthesis, i.e. mono- and tandem-functional, catalyst characterization and initial performance test, kinetic modeling with parameter estimation if necessary, and optimal design of catalysts. The initial step features thermodynamic equilibrium calculations for RWGS and FTS showing a common operational window. Then, Pt and Co are selected as active metals and the formulation of the tandem catalyst is designed. For the second step, the synthesis route for the tandem catalyst Pt,CeO2@SiO2-Co, and the mono-functional catalysts, Pt@SiO2 and CeO2@SiO2-Co are presented. For the third step, all catalysts were tested for CO2 hydrogenation as an exemplary tandem process. A reduced transport model from literature was adjusted for RWGS and FTS reactions with kinetic expression from literature to enable numerical optimization. The kinetic parameters are estimated based on the performance tests of the mono-functional reference materials, i.e. Pt@SiO2 for RWGS and CeO2@SiO2-Co for FTS. The model is validated by cross comparison to the data from the tandem reaction setup. In the fifth step, the model was used for the numerical optimization of the catalyst loading on core and shell leading to the identification of the optimal design, resulting in a significant increase of C2+ Yield.

Numerical Simulation of Hydrodynamics and Heat Transfer in a Reactor with a Fluidized Bed of Catalyst Particles in a Three-Dimensional Formulation

The hydrodynamics and heat transfer in a reactor with a fluidized bed of catalyst particles and an inert material were simulated. The particle bed (the particle density was 2350 kg/m3, and the particle diameter was 1.5 to 4 mm) was located in a distribution device which was a grid of 90 × 90 × 60 mm vertical baffles. The behavior of the liquefying medium (air) was modeled using a realizable k-ε turbulence model. The behavior of particles was modeled using the discrete element method (DEM). In order to reduce the slugging effect, the particles were divided into four separate horizontal layers. It was determined that with the velocity of the liquefying medium close to the minimum fluidization velocity (1 m/s), slugging fluidization is observed. At a velocity of the liquefying medium of 3 m/s, turbulent fluidization in the lowest particle layer and bubbling fluidization on subsequent particle layers are observed. With an increase in the velocity of the liquefying medium over 3 m/s, entrainment of particles is observed. It was shown that a decrease in the density of the liquefying medium from 1.205 kg/m3 to 0.383 kg/m3 when it is heated from 298 K to 923 K would not significantly affect the hydraulic resistance of the bed. Based on the obtained results, it can be stated that the obtained model is optimal for such problems and is suitable for the further description of experimental data.

Efficient synthesis of 1,6-Hexanediol via the hydrogenation of dimethyl adipate on CuZn nanoparticles with balanced Cu+-Cu0 sites

In this paper, Cu-based catalyst was prepared by co-precipitation method with DMA hydrogenation as a probe reaction. Compared to the binary Cu-ZnO catalyst, the Cu-ZnO-MxOy (M=Ce, Ti, Zr and Al) catalyst modified with the addition of a third component showed a significant increase in 1,6-Hexanediol (HDO) selectivity. Especially, the dimethyl adipate (DMA) conversion, HDO selectivity and yield of the CZZ catalyst were up to 75.7 %, 53.6 % and 40.6 %, respectively, higher than others. Combining the results of XPS and N2O titration, HDO selectivity was adjusted by varying the Cu+/(Cu0+Cu+) ratio via the third component. The addition of ZrO2 prevented further reduction of Cu+ due to the formation of Cu/ZrO2 or Cu/ZnO species, thus maintaining a constant Cu+/(Cu0+Cu+) ratio and realizing the efficient selectivity of HDO. Furthermore, higher alkaline site density on the CZZ catalyst facilitated CO bond activation further favored the formation of 1,6-hexanediol. In addition, CZZ catalyst had better hydrogen dissociation capacity and smaller catalyst particle size, which will further promote the hydrogen dissociation and thus the hydrogenation process of DMA.

Shallow beds are not plug flow reactors – Analysis of kinetic data in the presence of axial dispersion effects

Laboratory-scale shallow beds filled with catalyst particles are frequently used in catalyst screening, activity tests and kinetic measurements. Often the experimental data are interpreted with plug flow or differential reactor models. Residence time measurements have shown large deviations from ideal plug flow behavior in shallow beds, indication the presence of axial dispersion effects, i.e. is backmixing and diffusion in the bed. The behavior of laboratory-scale bed reactors was investigated by theoretical considerations of the axial dispersion model and numerical simulations in the Damköhler-Péclet space. The results revealed that large errors in kinetic parameters can appear when the dispersion model is replaced by the plug flow model. This key effect was quantified using the ratio (F) of two Damköhler numbers: the real one, and the one wrongly estimated on experimental data affected by dispersion problems and interpreted with ideal plug-flow approach. Thus, the effect of back-mixing is evaluated varying a single parameter of the kinetic model, namely the rate constant. The conclusions are valid for power-law, Langmuir-Hinshelwood and Eley-Rideal kinetics.

Effect of Pd content in multi-component alloys [CoFeNi]Pdx on their behavior in hydrocarbon-containing atmosphere

Multicomponent metal systems attract growing interest today, especially as catalysts for various processes. In the present work, a series of [CoFeNi]Pdx alloys (equal atomic content of base metals) doped with palladium in the amount of 0–10 at.% were synthesized via thermolysis of multicomponent precursors. The resulting [CoFeNi]Pdx alloys were found to be single-phase solid solutions with a fcc structure represented by agglomerates of grains fused. The performance of the alloys was explored in a mixture of saturated hydrocarbons (C2–C4) within the temperature range of 600–675 °C. As a result of interaction with the reaction mixture, spontaneous disintegration of the alloys containing above 2 at.% Pd occurs with the formation of dispersed particles responsible for the catalytic growth of carbon nanofibers (CNF). The dependence of the productivity of the [CoFeNi]Pdx alloys towards CNFs on the x parameter was studied. The highest CNF yield (YC = 25–46 g/gcat, 30 min) was achieved at an optimal Pd concentration of 8 at.% within the entire temperature range. According to TEM and EDX data, regardless of the reaction temperature and Pd concentration in the alloy, the catalyst particles have the same composition as defined at the synthesis of the alloys. The resulting CoFeNiPd@CNF composite can be considered as a catalyst for other heterogeneous catalysis processes.

Numerical Modeling of Heat Transfer and Flow Field in a Novel Calcinator

Abstract This study focused on investigating the heat transfer and flow dynamics of a catalyst granule within a pilot calciner, employing both numerical modeling and computational fluid dynamics. The research comprised two primary components: (1) Simulation of the gas flow within the pilot calciner using the Eulerian–Eulerian approach, treating gases and catalyst particles as distinct phases – gas and granular. The model, encapsulating both heat transfer and flow processes, was developed in Fluent software version 16.0. Its accuracy was confirmed against empirical data from a pilot-scale calciner unit. (2) Subsequent to validation, the model was utilized to examine the distribution characteristics within the flow field, including the temperature profiles of gas and particles, the vector velocity field of the gas across different phases, and the overall heat transfer coefficient. This investigation aims to enhance the understanding of the complex heat transfer and flow dynamics in calciners, facilitating the optimization of operational parameters, performance, and structure of pilot-scale equipment. Furthermore, it provides foundational data pertinent to the future exploration of real-world industrial applications.