Simulation Of Combustion Research Articles

Adaptive mesh refinement towards optimized mesh generation for large eddy simulation of turbulent combustion in a typical micro gas turbine combustor

Over the last years, several advanced micro Gas Turbine (mGT) cycle developments have been proposed, aiming at making the mGT more fuel and operational flexible. However, accurate data on real industrial combustors, assessing the performances and emissions of the combustion under unconventional diluted conditions or fuels involved in these novel cycles, are still missing. In this framework, Large Eddy Simulations, who allow to accurately assess the unsteady effects coupled to turbulent-chemistry interaction of reacting flows, offer an opportunity to better assess the combustion behaviour under these specific conditions. However, the computational cost remains much higher compared to RANS simulations. The mesh generation process might be complex, especially when the region of interest is not intuitively known. Therefore, Adaptive Mesh Refinement (AMR) methods allow the mesh to be refined only in the region where finer cells are required to capture important phenomena, i.e. in the flame front. By dynamically refining the mesh all along the simulation, the mesh is optimized in terms of cell quantity and distribution for more accurate results at potentially lower computational costs. In this work, an adaptive mesh refinement method based on a predefined criterion is successfully applied to the LES of a typical industrial mGT combustor, the Turbec T100. The results show that the adaptation strategy allows to automatically generate a dynamic mesh that is able to capture correctly the flame over time for an increased computational cost of 15%. Therefore, the human meshing effort is reduced while the automatic meshing leads to an optimized mesh.

Numerical simulation of ammonia combustion with coal in a 135 MW tangentially fired boiler

This study conducted a simulation of coal and ammonia co-combustion in a 135 MW tangentially fired utility boiler using Fluent. The combustion process was modeled using a gas-phase non-premixed approach based on finite-rate/turbulent dissipation. Additionally, NO generation and conversion were simulated through multi-step chemical reactions. Upon verifying the accuracy of the proposed model, the effects of ammonia co-firing ratios and injection modes on boiler combustion characteristics and NO emissions were investigated. The results indicate that as the co-combustion ratio increases, the boiler temperature decreases. Concurrently, NO emissions from the furnace exhibit a trend of initial decrease followed by an increase, reaching a minimum of 136.21 ppm at a mixing ratio of 15 %. With a co-firing ratio of 30 %, a significant reduction in NO emissions can be achieved by decreasing the proportion of primary and secondary air. As the excess air factor of ammonia decreases from 0.3 to 0.1, NO emissions initially decrease, followed by a subsequent increase. Overall, optimizing the ammonia injection mode and air distribution ratio can reduce NO emissions to below 220 ppm when the ammonia co-combustion ratio is below 30 %. This study serves as a valuable reference for retrofitting utility boilers for coal-ammonia co-combustion.

A waste hemp‐based biomass carbon aerogel with high fire‐resistance

AbstractTo enhance the efficient utilization of waste hemp rods, a kind of three‐dimensional (3D), mesh‐like lamellar structured hemp‐based biomass carbon aerogel (CA) was developed by freeze‐drying and subsequent high‐temperature carbonization method. The microstructure, flame resistance, thermal stability, and thermal conductivity of CA were investigated using several analytical techniques, including scanning electron microscopy (SEM), Fourier‐transform infrared spectroscopy (FTIR), X‐ray diffraction (XRD), simulated combustion tests, and thermogravimetric analysis (TG). Optimum formulation yielded at an alkali treatment concentration of 20% and a carbonization temperature of 700°C, CA with a 3D network of reticulated lamellae was obtained. CA exhibited minimal values for thermal conductivity (0.06 W/m K) and thermal diffusion coefficient (0.41 mm2/s), which are indicative of superior insulative properties. Moreover, the material demonstrated remarkable thermal endurance and flame resistance, achieving a char yield of 70.03% when subjected to a temperature of 700°C in an oxidative environment.

Adaptive detached eddy simulation of turbulent combustion with the subgrid dissipation concept

Detached eddy simulation has become a widely used method in eddy simulations due to its balance between cost and accuracy. The recently developed subgrid dissipation concept (SDC) combustion model [Liu et al., “On the subgrid dissipation concept for large eddy simulation of turbulent combustion,” Combust. Flame 258, 113099 (2023)] is found to be more reasonable and accurate than the conventional eddy dissipation concept model in large eddy simulation (LES). In this paper, the SDC model is adapted to the ℓ2-ω adaptive detached eddy simulation framework, named DES-SDC. The required key quantities, including the fine structure mass fraction and dissipation rate, are appropriately blended across Reynolds-averaged Navier–Stokes and LES regions. The DES-SDC approach is validated using premixed bluff body stabilized flame, non-premixed swirl flame, and premixed swirl flame with complex geometry. It is much more tolerant to coarse mesh resolution than pure LES, yet it preserves the capability of resolving the key unsteady feature critical for the combustion process, as it is designed to be. The DES-SDC approach is relatively insensitive to the grid resolution. The present research provides a promising approach for accurately simulating practical unsteady turbulent combustion problems at an affordable computational cost.

Graphics processing unit/artificial neural network-accelerated large-eddy simulation of swirling premixed flames

Within the scope of reacting flow simulations, the real-time direct integration (DI) of stiff ordinary differential equations for the computation of chemical kinetics stands as the primary demand on computational resources. Meanwhile, as the number of transport equations that need to be solved increases, the computational cost grows more substantially, particularly for those combustion models involving direct coupling of chemistry and flow such as the transported probability density function model. In the current study, an integrated graphics processing unit-artificial neural network (GPU-ANN) framework is introduced to comply with heavy computational costs while maintaining high fidelity. Within this framework, a GPU-based solver is employed to solve partial differential equations and compute thermal and transport properties, and an ANN is utilized to replace the calculation of reaction rates. Large eddy simulations of two swirling flames provide a robust validation, affirming and extending the GPU-ANN approach's applicability to challenging scenarios. The simulation results demonstrate a strong correlation in the macro flame structure and statistical characteristics between the GPU-ANN approach and the traditional central processing unit (CPU)-based solver with DI. This comparison indicates that the GPU-ANN approach is capable of attaining the same degree of precision as the conventional CPU-DI solver, even in more complex scenarios. In addition, the overall speed-up factor for the GPU-ANN approach is over two orders of magnitude. This study establishes the potential groundwork for widespread application of the proposed GPU-ANN approach in combustion simulations, addressing various and complex scenarios based on detailed chemistry, while significantly reducing computational costs.

Modeling of micron-sized aluminum particle combustion in hot gas flow

This paper presents a model for micron-sized aluminum (Al) particle combustion in hot oxidizing environments, forming hollow spheres. The model comprises four sub-models describing the physical and chemical processes during Al combustion: melting of the solid core, ejection of liquid Al droplets from the breaking solid shell, vaporization of liquid droplets, and ignition and establishment of vapor flame surrounding the solid particles. The model is of critical importance when the ambient gas temperature is higher than the melting point of the Al core, Tc,m, but lower than the alumina (Al2O3) shell’s melting point, Ts,m. In the model, the Al core is assumed to be surrounded by a thin, compact alumina shell that blocks the diffusion of oxidizer into the core and prevents surface reactions. The alumina shell’s cracking and liquid Al’s eruption are triggered by thermal expansion and pressure buildup in the liquid core. The splashed liquid Al droplets vaporize quickly and initiate gas-phase reactions, followed by the vaporization of the liquid Al core as the particle temperature Tp increases. Al vapor combustion heat is redistributed to simulate the gaseous flame near the particle. The model is implemented using the Lagrangian particle tracking method and is validated through simulations of micron-sized Al particle combustion in hot gas and comparison with experiments. The results can explain the formation of the sharp-edged holes on hollow aluminum oxide spheres and the ignition behavior observed in the experiments.

CFDs Modeling and Simulation of Wheat Straw Pellet Combustion in a 10 kW Fixed-Bed Downdraft Reactor

This research paper presents a comprehensive study on the combustion of wheat straw pellets in a 10 kW fixed-bed reactor through a Computational Fluid Dynamics (CFDs) simulation and experimental validation. The developed 2D CFDs model in ANSYS meshing simulates the combustion process in ANSYS Fluent software 2021 R2. The investigation evaluates key parameters such as equivalence ratio, heating value, and temperature distribution within the reactor to enhance gas production efficiency. The simulated results, including combustion temperature and produced gases (CO2, CO, CH4), demonstrate a significant agreement with experimental combustion data. The impact of the equivalence ratio on the conversion efficiency and lower heating value (LHV) is systematically explored, revealing that an equivalence ratio of 0.35 is optimal for maximum gas production efficiency. The resulting producer gas composition at this optimum condition includes CO (~27.67%), CH4 (~3.29%), CO2 (~11.09%), H2 (~11.09%), and N2 (~51%). The findings contribute valuable insights into improving the efficiency of fixed-bed reactors, offering essential information on performance parameters for sustainable and optimized combustion.

High-temperature corrosion-resistant alloy for waste-to-energy plants: Alloy designing, fabrication, and possible corrosion-resistance mechanism

This study designed a novel high-temperature corrosion-resistant alloy through thermodynamic equilibrium computations. The strength was determined by the integration of precipitation-strengthening species of nickel boride and tungsten solid solution strengthening, while high-temperature corrosion-resistant property was realized through optimized compositional design. Phase stability was enabled by the presence of a face-centered cubic structure. The alloy was fabricated and its corrosion-resistance performance was experimentally compared with other commercially available nickel- and iron-based alloys under simulated municipal solid waste combustion. The designed alloy with a composition of Ni-5B-6W-28Cr-13Al showed a low corrosion rate of ∼72 % < 13CrMo4-5TS and 1.08 % > Inconel 625. Economic analysis showed that Ni-5B-6W-28Cr-13Al has a cost-effectiveness ratio of 1:1.57 with respect to Inconel 625 and 1:0.09 with respect to 13CrMo4-5TS. Corrosion-resistance mechanism was explored using scanning electron microscopy coupled with energy dispersive spectroscopy, x-ray diffractometer, and DFT computations. The corrosion resistance occurred through the formation of a uniform tungsten-chromium-oxide film which inhibits inward diffusion of corrosive chlorine species. These findings provide insights into the development of alloys for high-temperature technologies.

Environmentally persistent free radicals from residential raw coal combustion and association with chemical components

Emerging environmental persistent free radicals (EPFRs), can generate reactive oxygen species (ROS), posing potential exposure risks to human health. Incomplete coal combustion is a major source of EPFRs. Organic carbonaceous fractions are essential and important players in the formation of EPFRs during coal combustion. However, relationship between individual organic carbonaceous and non-carbon fractions with EPFRs in such emissions are not well known. This paper investigated the characteristics of EPFRs discharged from simulated coal combustion. Our results showed that the concentration of EPFRs was major concentrated on PM1.1 (51.66–81.85 %), and more easily oxidized by oxygen resulting in producing more oxygen-centered radicals (semiquinone-type) in PM1.1. The mean of line width (ΔHp-p) was 5.87 ± 0.41G higher than that of biomass combustion, indicating more free radical species were emitted from coal combustion. Humic-like substances-carbon (HULIS-C) was the major contributor of the formation of EPFRs and facilitate the generated of EPFRs. Secondary processes have also contributed to the formation of EPFRs during the coal combustion. Our result also noted that there was no relationship between transition metals and EPFRs, may be due to the variability and complexity of the chemical properties and composition of PM. This is critical for the prediction of geochemical behavior and risk assessment of EPFRs, which can provide basic data to support policy development to address rural air pollutant emissions.

Numerical Investigations on the Effects of Dome Cooling Air Flow on Combustion Characteristics and Emission Behavior in a Can-Type Gas Turbine Combustor

To meet the requirements of achieving higher efficiency and lower NOx pollution, the flame temperature in gas turbine combustors increases continually; thus, the effusion-cooling technology has been used to ensure the combustor liner remains within the allowed temperature, by which the combustion characteristics and emission behavior are possibly influenced. In order to investigate the effects of dome cooling air flow on combustion characteristics and NOx emissions, three-dimensional combustion simulations for a swirl-stabilized can-type gas turbine combustor are carried out in this work by using the computational fluid dynamics (CFD) method. Through adjusting the ratio of the dome cooling air flow and the dilution cooling air flow, the characteristics of flow field, temperature distribution and NOx emissions under each work condition are analyzed. At different ratios of the dome-cooling air flow to the total air flow, the flow velocity field in the region near the center of the combustion chamber is not changed much, while the velocity field near the chamber wall shows a more significant difference. The temperature in the outer recirculation zone within the combustion chamber is effectively reduced as the dome cooling air flow increases. By analyzing the distribution characteristics of the concentration of OH*, it is demonstrated that the dome cooling air flow does not have a direct effect on the reaction of combustion. It is also found that as the ratio of the dome cooling air flow to the total air flow increases from 0 to 0.15, the value of the NOx emissions drops from 28.4 to 26.3 ppmv, about a 7.4% decrease. The distribution of the NOx generation rate in the combustion chamber does not vary significantly with the increasing dome cooling air flow. Furthermore, by calculating the residence time in different stages, when the the ratio of the dome cooling air flow to the total air flow varies from 0 to 0.15, the residence time in the pilot stage decreases obviously, from 42 ms to 18 ms. This means that reduction in residence time is the main factor in the decrease of NOx emissions when the dome cooling air flow increases.

Comparison of Tabulated and Complex Chemistry Approaches for Ammonia–Diesel Dual-Fuel Combustion Simulation

&lt;div&gt;Using ammonia as a carbon-free fuel is a promising way to reduce greenhouse gas emissions in the maritime sector. Due to the challenging fuel properties, like high autoignition temperature, high latent heat of vaporization, and low laminar flame speeds, a dual-fuel combustion process is the most promising way to use ammonia as a fuel in medium-speed engines.&lt;/div&gt; &lt;div&gt;Currently, many experimental investigations regarding premixed and diffusive combustion are carried out. A numerical approach has been employed to simulate the complex dual-fuel combustion process to better understand the influences on the diffusive combustion of ammonia ignited by a diesel pilot. The simulation results are validated based on optical investigations conducted in a rapid compression–expansion machine (RCEM). The present work compares a tabulated chemistry simulation approach to complex chemistry-based simulations. The investigations evaluate the accuracy of both modeling approaches and point out the limitations and weaknesses of the tabulated chemistry approach. When using two fuels, the tabulated chemistry approach cannot reproduce misfiring events due to inherent model limitations. By adjusting the model parameters of the tabulated chemistry model, it is possible to reproduce experimental results accurately for a specific case. However, using the adjusted parameters for simulations with changed injection timing or interaction angle between the sprays shows that no predictive calculations are possible. The parameter set is only valid for a single operation point.&lt;/div&gt; &lt;div&gt;Further simulations show that the complex chemistry approach can capture the complex interaction between both directly injected fuels for different operation points. It correctly predicts the ignition as well as heat release. Therefore, the approach allows predictive combustion simulations. Furthermore, it reproduces the occurrence of misfiring in cases of unsuitable interaction of both sprays and injection timing.&lt;/div&gt;

Long-Duration Dynamic Numerical Simulation of Combustion and Flow in Hybrid Rocket Motors Considering Nozzle Erosion

Long-Duration Dynamic Numerical Simulation of Combustion and Flow in Hybrid Rocket Motors Considering Nozzle Erosion

A novel data-driven reduced order modelling methodology for simulation of humid blowout in wet combustion applications

Computationally inexpensive reduced order models such as Chemical Reactor Networks (CRN) are encouraging tools to obtain fast numerical solutions. However, the accuracy of such models is usually compromised compared to experiments or high-fidelity numerical simulations. Therefore, continued improvement of such models is necessary to ensure reasonable accuracy and fill the need for computationally inexpensive tools. To that end, inputs from computational fluid dynamics simulations have been used to build CRNs in the last 25 years. This can be further improved by the application of data-driven techniques. The present work uses a novel data-driven analysis based on high-fidelity simulation results where the high-dimensional data is first reduced to a low-dimensional manifold and is then clustered into chemically coherent regions. These results along with the high-fidelity simulation results are used to construct a CRN for wet combustion simulations. Wet combustion is a novel clean combustion technique, where an increase in the level of steam dilution distributes the flame, with a risk for flame extinction. This phenomenon, i.e., humid blowout (HBO), was modelled using the above-mentioned CRN. The HBO predicted by the CRN was also tested for thermal power, equivalence ratio, and fuel conditions different from its design point. The error in HBO prediction was quantified by comparing the steam-dilution level at HBO obtained using CRN and that obtained experimentally. The CRN predicted the HBO with an error magnitude less than 5% when the thermal power was unchanged. The maximum error in all tested conditions was 16.65%. Furthermore, a sensitivity analysis revealed that the inclusion of hot gas recirculation through the central recirculation zone, quantified by the mass flow split between the post-flame region and the CRZ, is important in the prediction of HBO, although its accuracy is inconsequential.

Comparative study on the molecular evolution of changqing petroleum coke during air and pure oxygen combustion: A ReaxFF method analysis

Based on reactive force field (ReaxFF) simulation, the molecular evolution mechanism of air combustion simulation and pure oxygen combustion simulation of Changqing petroleum coke was studied. On the basis of the original petroleum coke molecular model, N2 and O2 molecules were added to construct the air combustion simulation model and the pure oxygen combustion simulation model respectively. The number of molecules, main products, and typical hydrocarbon gases in the two simulation results were analyzed by setting up the LAMMPS in. file. Finally, the molecular changes of pyrrole and pyridine were described. The results show that the main reaction interval of pure oxygen combustion is earlier than that of air combustion. In the main reaction temperature range, the reaction rate of pure oxygen combustion is higher than that of simulated air combustion. At 170 ps, the two simulations reaction speed is the fastest time point; Pyridine is more stable than pyrrole. The research on the distinction and comparison of two kinds of simulation has certain guiding significance for the clean utilization of petroleum coke combustion process in industry.

Mass yields of products and composition of syngas from pyrolysis of Brazilian plastic solid wastes: Combustion simulation and burner design to minimize COx and CxHy emissions

For the first time, the mass yields of products and the composition of synthesis gas (syngas) from pyrolysis of Brazilian plastic solid waste were evaluated for a reactor processing 20 g of plastic at 800 °C. Combustion of the syngas was simulated, evaluating the levels of COx and CxHy emissions, and a burner was designed to minimize emissions during combustion. The main findings highlighted the importance of performing thermogravimetric analyses of waste materials. Higher thermal degradation temperatures (530–900 °C) were obtained for all the plastics, compared to values reported in the literature (300–600 °C). Between 46.7 and 98.0 wt% of syngas was produced, with lower heating values ranging from 10390 to 45684 kJ kg−1, due to differences between the plastics in the fractions of inorganic and hydrocarbon gases produced. The maximum temperatures for syngas combustion, simulated using ANSYS software, were 2000 and 800 °C inside the burner and combustion chamber, respectively. In the burner, higher COx and CxHy levels were related to the syngas composition and incomplete chemical reactions in the flame zone. The CO and CxHy levels decreased towards the combustion chamber, where CO2 was less than 8 wt%, in compliance with the CONAMA 316/2002 regulation.

Numerical Investigation of a Hydrogen–Air Flame for NOx Prediction

Abstract Sustainable aviation fuels are a major candidate to reduce pollutant emissions in future aeronautical engines. Recently, the use of hydrogen as a fuel has gained a high interest partly because its combustion is free from carbon dioxide, a greenhouse gas, and produces few pollutants, mainly nitrogen oxides (NOx). Over the last decades, efforts on numerical methods for combustion simulation in aero-engines have largely been focused on kerosene-air combustion. However, the current transition may have a significant impact on the computational methodologies for combustor design. Hydrogen defines novel modeling issues and challenges the current state of art on numerical methodologies. The current study presents a numerical investigation of a hydrogen–air burner using large-eddy simulations (LES) with a focus on NOx prediction. The considered configuration is a two-staged combustor, similar to the well-known RQL (Rich-Quench-Lean) technology, supplied by a single coaxial injector characterized experimentally. Two combustion models are investigated: (i) tabulated chemistry based on premixed flamelets (ii) transported chemistry description by using a 21-species chemical scheme. Numerical results are compared with experimental data (NOx concentrations, temperature distributions, pressure losses). A focus on model predictions is carried out. Results show a good agreement to predict the main flow characteristics and the premixed flame position over different operating points and geometries for both frameworks. In contrast, NOx emissions are more sensitive: while the overall trend is well captured, the quantification is more scattered. Finally, an in-depth analysis is proposed to link NOx production with the nonpremixed flame size.

Effects of Thermal Expansion and Pressure on Far-Field Fluctuations of Heterogeneous Propellants

In this work, we carry out three-dimensional mesoscale simulations of heterogeneous solid propellant combustion. We solve the reactive low-Mach-number equations in the gas phase with complete coupling to the solid phase. The model takes into account thermal expansion and deformation in the solid phase by using a hypoelastic law in the quasi-static limit. To account for morphology, we select two different propellant formulations with different particle size distributions and present the results as a function of pressure. The thermomechanical behavior is accessed by examining quantities such as strain and stress in the propellant as a function of pressure and propellant morphology. We also show that temperature and velocity fluctuations exist in the far field above the propellant surface and that these fluctuations can be significant. To better understand the nature of these fluctuations, we vary the pressure and make relevant plots of normal velocity and temperature probability density functions, as well as time autocorrelations. Such descriptions are necessary to account for the coupling between the mesoscale and the macroscale, where the fluctuations at the mesoscale can affect quantities at the macroscale, such as head-end pressure, trigger parietal vortex shedding, and aeroacoustics.

Large eddy simulation of boundary layer combustion of hydrogen and hydrocarbon fuel films in a modeled scramjet combustor

Supersonic fuel film cooling is a promising way to simultaneously reduce the severe wall heat and friction load of the internal passage in a scramjet engine when operating at hypersonic conditions. Large eddy simulations were performed to investigate the cooling and wall friction characteristics of hydrogen and hydrocarbon films under inert and reactive circumstances. The results show that the essential difference of the turbulent state in the mixing layer contributes to the totally different behaviors of the cooling and wall friction reduction performances of the two fuel films. The turbulent transport processes between the hydrogen film and the mainstream are much weaker as compared to the case of hydrocarbon film, making inert hydrogen rather superior in cooling and friction reduction applications. Besides, the increase of wall temperature for hydrogen film under the inert case is mainly driven by the loss of hydrogen with high heat capacity instead of by direct heat addition. However, the film cooling performance severely deteriorates when the hydrogen film burns due to presence of severe heat release sources near the wall. On the other hand, combustion of hydrocarbon film in the boundary layer can remarkably improve its originally barely-satisfactory cooling and friction reduction performance to the level comparable to that of hydrogen film, due to the suppression of turbulent transport processes in the mixing layer and presence of heat absorption sources near the wall. Overall, the hydrogen film is more advantageous in friction reduction, while the hydrocarbon film is more suitable for cooling.

Experimental and numerical study on flow mixing and combustion characteristics of a novel multibypass integrated combustor

The integrated design of multibypass augmented/ramjet combustors can reduce the weight of turbine-based combined cycle (TBCC) engines and improve the thrust-to-weight ratio, but low-resistance mixing and efficient stable combustion of multiple airflows over short distances are necessary prerequisites. In this study, a novel structure for a TBCC multibypass integrated augmented/ramjet combustor is proposed. The influence of the inlet aerodynamic parameters on the flow field, mixing efficiency, flow loss, and combustion performance of the combustor under different working modes was obtained via experimental and numerical methods. The experimental results show that the outlet mixing efficiency is greater than 86% in the double-bypass mode (DB-mode). While the triple-bypass mode (TB-mode) has a larger decrease, the total pressure loss is slightly reduced (by approximately 0.5%). The opening of the ram duct has a significant impact on the flow field, resulting in different rules for the influence of the inlet temperature on the outlet mixing efficiency: in the DB-mode, the mixing efficiency decreases with increasing inlet temperature, while the rule is completely opposite after entering the TB-mode. Because the dominant role of the two mixing zones in the flow field changes with the velocity, the inlet velocity has a significant impact on the mixing efficiency in the flow direction. The combustion simulation results show that the combustion efficiency in the DB-mode is almost always above 90% and the high-temperature zone is mainly concentrated downstream of the integrated strut. The radial temperature gradient increases and the combustion efficiency decreases in the TB-mode.

Integrated 1D Simulation of Aftertreatment System and Chemistry-Based Multizone RCCI Combustion for Optimal Performance with Methane Oxidation Catalyst

This paper presents a comprehensive investigation into the design of a methane oxidation catalyst aftertreatment system specifically tailored for the Wärtsilä W31DF natural gas engine which has been converted to a reactivity-controlled compression ignition NG/Diesel engine. A GT-Power model was coupled with a predictive physical base chemical kinetic multizone model (MZM) as a combustion object. In this MZM simulation, a set of 54 species and 269 reactions as chemical kinetic mechanism were used for modelling combustion and emissions. Aftertreatment simulations were conducted using a 1D air-path model in the same GT-Power model, integrated with a chemical kinetic model featuring 15 catalytic reactions, based on activation energy and species concentrations from combustion outputs. The latter offered detailed exhaust composition and exhaust thermodynamic data under specific operating conditions, effectively capturing the intricate interactions between the investigated aftertreatment system, combustion, and exhaust composition. Special emphasis was placed on the formation of intermediate hydrocarbons such as C2H4 and C2H6, despite their concentrations being lower than that of CH4. The analysis of catalytic conversion focused on key species, including H2O, CO2, CO, CH4, C2H4, and C2H6, examining their interactions. After consideration of thermal management and pressure drop, a practical choice of a 400 mm long catalyst with a density of 10 cells per cm2 was selected. Investigations of this catalyst’s specification revealed complete CO conversion and a minimum of 89% hydrocarbon conversion efficiency. Integrating the exhaust aftertreatment system into the air path resulted in a reduction in engine-indicated efficiency by up to 2.65% but did not affect in-cylinder combustion.