Search Results (68)

The blast furnace (BF) and basic oxygen route account for approximately 70% of the global steel production and create 1.8 tons of CO₂ per ton of steel, produced primarily due to the use of coke and pulverized coal (PC) at the BF. With global pressure to reduce CO₂ emissions, optimization of BF operation is crucial, which is possible through optimizing fuel consumption, and improving process stability. Understanding the complex combustion and flow dynamics in the raceway region is essential for enhancing reducing agent utilization. Modeling plays a key role in predicting these behaviors and providing insights into the process; however, validation of these models is crucial for their reliability but difficult in the complex and hostile BF raceway region. In this study, a validated raceway model developed at Swerim was used to evaluate four different cases, namely R1 (Reference), R2 (Low oxygen to blast), R3 (High blast moisture), and R4 (High PC) using an injection coal from SSAB Oxelösund. During actual experiments, the temperature distribution in the raceway was measured using a thermovision camera (TVC) to validate the CFD simulation results. The combined use aims to cross-validate the results simultaneously to establish a reliable framework for future parametric studies of raceway behavior under varying operational conditions using CFD simulations The results indicated that it is possible to measure the temperature within the raceway region using TVC at depths indicated to be 0.5–0.7 m, when not obscured by the coal plume, or <0.5 m, when obscured. TVC measurements are clearly quantitatively affected when obscured, indicated by considerably lower temperatures in the order of 200 °C between similar process conditions. A decrease of O₂ injection results in an extended raceway region as the conditions become less chemically favorable for combustion due to a lower reactant content offsetting the ignition point and reducing the reaction rate in the raceway. An increased moisture content in the blast results in a reduced size of the race-way region as energy is consumed as latent energy and cracks water. An increase in PC rate results in a larger/wider raceway region, as more PC is devolatilized and combusted early on, resulting in larger gas volumes expanding the raceway region outwards, perpendicular to the injection. Full article

This study explores the computational analysis of catalytic combustion in cylindrical reactors using the Finite Volume Method (FVM) within Ansys Fluent. Through the incorporation of a combustion channel to facilitate diesel combustion, Ansys Fluent is utilized to predict the fluid dynamics during catalytic combustion. An extensive reaction mechanism file containing all related reactions is added into Ansys Fluent to model the catalytic combustion of methane. In this study, the catalyzed combustion of a methane, hydrogen, and air mixture is simulated on a heated platinum wall within a cylindrical channel using a 2D axisymmetric solver. Two mechanism files are employed: one defining gaseous species and the other including surface species definitions and surface reactions. Volumetric reactions are excluded from this analysis. The cylindrical channel comprises three sections: inlet, catalytic, and outlet, with the catalyzed reactions occurring on the wall surface of the catalytic section. The simulation results exhibit a gradual decrease in the mass fraction of reactants as catalytic combustion proceeds within the chamber, accompanied by a simultaneous increase in product formation. In particular, the presence of a catalytic channel within the combustion chamber catalyzes the combustion reaction, resulting in a higher chamber temperature. This study also presents predicted mass fraction profiles for both reactants and combustion products, highlighting the efficiency of Computational Fluid Dynamics (CFD) simulations in predicting chemical processes, particularly catalytic combustion. This research contributes to the understanding of complex phenomena such as catalytic combustion and underscores the potential of CFD simulations in explaining complicated chemical processes. Full article

To reduce dependence on fossil fuels, gas turbine plants using hydrogen/methane blends provide a crucial solution for decarbonizing thermal power generation and promoting a sustainable energy transition. In this context, the development of fuel-flexible burners is fundamental. This work reports the development of a novel burner geometry for gas turbines that can operate with natural gas and hydrogen mixtures (HENG, hydrogen-enriched natural gas) over a wide range of hydrogen content while maintaining low NO_x emissions. The methodology used in this work is multidisciplinary, incorporating (i) CFD numerical simulations to determine the burner’s geometry, (ii) mechanical design for prototype construction (not discussed in the article), and (iii) experimental tests to assess its hydrogen content capacity, stabilization, and pollutant emission characteristics. The geometry was initially optimized through several RANS simulations to enhance reactant mixing and minimize flashback risks. Additionally, some LES simulations were conducted under specific conditions to achieve more accurate predictions and investigate potential combustion dynamics issues. The proposed solution was then transferred into a prototype. Through experimental testing, the burner prototype was characterized in terms of four key performance indicators: (1) the ability to operate with HENG mixtures with more than 20% ${\mathrm{H}}_2$ content, showing a technological trend exceeding 50%; (2) the ability to operate with low ${\mathrm{NO}}_{\mathrm{x}}$ (<25 ppm) and CO emissions within the 30–70% hydrogen volume range; (3) the ability to ignite HENG mixtures with ${\mathrm{H}}_2$ in the 30–70% hydrogen volume range; and (4) the ability to operate with a fluctuating hydrogen content, ±15% over time, while still complying with ${\mathrm{NO}}_{\mathrm{x}}$ and CO emission limits. Full article

A significant problem in hard coal mining is the utilisation of ventilation air methane (VAM). Two basic methane combustion methods, thermal (homogeneous) and catalytic oxidation, are analysed in detail in this paper. Both processes are compared based on numerical simulations, applying the reaction kinetics developed in previous works, assuming a few typical monolithic reactor packings. The reactor’s mathematical model and kinetic equations are presented. The results are presented graphically as the temperature and reactant concentration distributions along the reactor, assuming different inlet methane concentrations in the VAM, inlet gas temperature and flow velocity. Interstage reactor cooling is simulated with a higher methane concentration for the catalytic process. The energetic problems of the process are analysed in terms of the heat recovery and resulting exergy, as well as the Carnot efficiency. The problem of toxic carbon monoxide emissions is also modelled and discussed, and the pros and cons of both VAM combustion methods are identified. Full article

Equivalent ratio (ER) is an important factor affecting detonation characteristics and propulsion performance of rotating detonation rocket engine (RDRE). In this paper, the effects of different equivalent ratios detonation characteristics and thrust performance of methane-oxygen RDRE were studied by 2D numerical simulation. The premixed reactants were injected through the injection holes to simulate the discrete injection of reactants on the injection panel in actual RDRE, the number of injection holes was 60 and 120. The results show that there is hybrid detonation mode (HDM), co-direction multi-wave detonation mode (CMM) and unstable detonation mode (UDM) in detonation combustion due to the influence of equivalent ratio and the number of injection holes, and the co-directional multi-wave detonation mode is beneficial to the thrust stability of RDRE. At the last, the number of detonation waves in RDRE decreases with the increase in the equivalent ratio, and the specific impulse (I_sp) increases with the increase of the equivalent ratio. Full article

Methylcyclohexane (MCH, C₇H₁₄) is a typical component in hydrocarbon fuels and is frequently utilized in surrogate fuel mixtures as a typical representative of alkylated cycloalkanes. However, comprehensive experimental studies on speciation during its combustion remain limited. This research investigates for the first time the chemical structure of laminar premixed flames of lean and stoichiometric mixtures (φ = 0.8 and 1.0) of MCH/O₂/Ar under atmospheric pressure. Using probe-sampling molecular-beam mass spectrometry (MBMS), the spatial distribution of 18 compounds, including reactants, products, and intermediates, in the flame front was measured. The obtained results were compared with numerical simulations based on three established chemical–kinetic models of MCH combustion. The comparative analysis demonstrated that while the models effectively describe the profiles of reactants, primary products and key intermediates, significant discrepancies were observed for various C₂–C₆ compounds. To indicate the roots of the discrepancies, a rate of production (ROP) analysis was performed in each simulation. ROP analyses revealed that the primary cause for the discrepancies could be attributed to the overprediction of the rates of initial stages during MCH decomposition. Particularly, the role of non-elementary reactions was emphasized, indicating the need for refinement of the mechanisms based on new experimental data. Full article

An experimental investigation into the conversion of ethanol to syngas by partial oxidation in a non-premixed counterflow moving bed filtration combustion reactor was carried out. Regimes of conversion depending on the mass flow rates of fuel and air (separate feeding), as well as a granular solid heat carrier, were studied. Depending on the mass flow rate of the heat carrier, two combustion modes were realized—reaction trailing and intermediate—with different temperature patterns in the gas preheating, combustion, and cooling zones along the reactor. The product gas composition is far from the predictions of the equilibrium model; it contains substation fractions of methane and ethylene. Combustion temperature and conversion are limited by the relatively high level of heat loss from the laboratory-scale reactor. The effect of the heat loss can be reduced by enhancing the absolute flow rate of the reactants. Full article

The present study explores the influence of diverse nozzle geometries on the combustion characteristics of ADN-based energetic propellants. The pressure contour maps reveal a rapid initial increase in the average pressure of ADN-based propellants across the three different nozzles. Subsequently, the pressure tapers off gradually as time elapses. Notably, during the crucial initial period of 0–5 μs, the straight nozzle exhibited the most significant pressure surge at 30.2%, substantially outperforming the divergent (6.67%) and combined nozzles (15.5%). The combustion product variation curves indicate that the contents of reactants ADN and CH₃OH underwent a steep decline, whereas the product N₂O displayed a biphasic behavior, initially rising and subsequently declining. In contrast, the CO₂ concentration remained on a steady ascent throughout the entire combustion process, which concluded within 10 μs. Our findings suggest that the straight nozzle facilitated the more expeditious generation of high-temperature and high-pressure combustion gases for ADN-based propellants, expediting reaction kinetics and enhancing combustion efficiency. This is attributed to the reduced intermittent interactions between the nozzle wall and shock waves, which are encountered in the divergent and combined nozzles. In conclusion, the superior combustion characteristics of ADN-based propellants in the straight nozzle, compared to the divergent and combined nozzles, underscore its potential in informing the design of advanced propulsion systems and guiding the development of innovative energetic propellants. Full article

In this work, non-ordered and ordered CeO₂-based catalysts are proposed for CO₂ conversion to dimethyl carbonate (DMC). Particularly, non-ordered mesoporous CeO₂, consisting of small nanoparticles of about 8 nm, is compared with two highly porous (635–722 m²/g) ordered CeO₂@SBA-15 nanocomposites obtained by two different impregnation strategies (a two-solvent impregnation method (TS) and a self-combustion (SC) method), with a final CeO₂ loading of 10 wt%. Rietveld analyses on XRD data combined with TEM imaging evidence the influence of the impregnation strategy on the dispersion of the active phase as follows: nanoparticles of 8 nm for the TS composite vs. 3 nm for the SC composite. The catalytic results show comparable activities for the mesoporous ceria and the CeO₂@SBA-15_SC nanocomposite, while a lower DMC yield is found for the CeO₂@SBA-15_TS nanocomposite. This finding can presumably be ascribed to a partial obstruction of the pores by the CeO₂ nanoparticles in the case of the TS composite, leading to a reduced accessibility of the active phase. On the other hand, in the case of the SC composite, where the CeO₂ particle size is much lower than the pore size, there is an improved accessibility of the active phase to the molecules of the reactants. Full article

As zero-carbon fuels, hydrogen and ammonia are of great interest in the transition toward a climate-neutral transportation system. In order to use these fuels and their blends in reciprocating engines, a characterization of the combustion of NH₃/H₂/air mixtures at high pressures and temperatures is needed. The aim of this work is to compute the Laminar Flame Speed (LFS) of NH₃/H₂/air mixtures by varying the thermochemical conditions of the reactants. For this purpose, several simulations have been carried out using different kinetic reaction mechanisms. The accuracy of the model has been assessed by comparing the results with experimental data available in the scientific literature. Finally, the influence of mixture composition and thermodynamic conditions of the reactants on LFS has been assessed by considering temperature and pressure values relevant to automotive applications and not yet explored in the literature. By adding H₂ to NH₃/air mixtures, LFS increases exponentially. By plotting the logarithm of LFS as a function of the H₂ mole fraction, the numerical results are well fitted by using a second-degree polynomial regression. However, a linear regression is accurate enough if the H₂ mole fraction does not exceed 0.6. Regarding the effect of pressure, the decrease in LFS with increasing pressure is less important as pressure increases. On the other hand, LFS increases with temperature, and this effect is more pronounced as the H₂ mole fraction decreases and pressure increases. Full article

The use of polymer electrolyte membrane (PEM) fuel cells as an alternative to internal combustion engines can significantly contribute to the decarbonization of the transport sector, especially for heavy-duty applications. However, degradation is still an issue for this type of component, affecting their durability and performance. In this scenario, a detailed analysis of the anodic and cathodic distributors’ flow-field geometry may help to identify some local stressors that trigger the degradation mechanism, such as local hot spots and reactants not having a uniform distribution. A computational fluid dynamic (CFD) methodology is able to provide a volumetric description of a PEM fuel cell so it can be a useful tool to better understand the physical phenomena that govern the component operations. In this work, the open-source simulation library openFuelCell2 is adopted for a detailed analysis of two different PEM fuel cells characterized by standard distributor geometries, namely a parallel channel geometry and a serpentine configuration. The library, based on the OpenFOAM code, has been extended with a novel implementation accounting for the catalytic activity reduction due to the platinum oxide (PtOx) formation occurring under certain particular conditions. The adopted methodology is firstly validated resorting to experimental data acquired for the two different fuel cell configurations. The analysis highlights that the PtOx formation leads to a reduction in the fuel cell performance reaching up to 60–80% when operating at high voltages. Then, the effect of the distributor geometries on the component performance is investigated by resorting to in-plane and through-plane physical quantity distribution, such as reactant concentration, pressure or velocity fields. While the parallel flow channel configuration shows some diffusion losses under the rib, the serpentine channel geometry configuration can achieve some local performance peaks thanks to the convective flow in the gas diffusion layer (GDL) driven by local pressure gradients. Furthermore, the local enhancement in terms of higher current density under the rib is associated with an effective heat removal due to the high thermal capacity of the bipolar plate, avoiding the generation of local hot spots. Full article

The present work addresses the production of nitrogen oxides in ICEs burning hydrogen mixed with methane. A mathematical model that allows the calculation of nitrogen oxide emissions from such combustion was built; this model uses the extended chemical kinetic mechanism of Zeldovich. Numerical simulations were carried out on the production of NO, varying the following variables: proportion of H₂ to CH₄, the equivalence ratio of the reactant mixture, the compression ratio, and the engine speed. The essential purpose was to assess how NO production is affected by the mentioned variables. The main assumptions were (i) Otto cycle; (ii) instantaneous combustion; (iii) chemical equilibrium reached just at the end of combustion; (iv) the formation of NO only during the expansion stroke of pistons. Results were obtained for various proportions of hydrogen and methane, various equivalence ratios, speeds of rotation, and compression ratios of an engine. In short, the results obtained in the current work show that the lowering of the equivalence ratio leads to a lower concentration of NO; that increasing the compression ratio also lowers the concentration of NO; that NO production occurs until shortly after the beginning of the expansion stroke; and finally, that the NO concentration in the engine exhaust is not very sensitive to the H₂/CH₄ ratio in the fuel mixture. Full article

Ti-Al intermetallics/TiB₂ composites were prepared from elemental powder mixtures by the method of self-propagating high-temperature synthesis (SHS). Reactant mixtures were formulated to contain two parts; one group was (2Ti + 4B) to form 2TiB₂ and the other group was (Ti + xAl) to produce Ti-Al intermetallic compounds. The content of Al ranged between x = 0.33 and 3.0, which was equivalent to the Ti/Al atomic ratio from Ti-25% Al to Ti-75% Al in the (Ti + xAl) group. The results showed that the increase of Al percentage reduced the overall combustion exothermicity and led to a slower self-sustaining combustion wave speed and a lower combustion temperature. Apparent activation energy of the Ti-Al-B solid-state combustion reaction was determined to be 114.7 kJ/mol by this study. Based on the XRD analysis, Ti-Al intermetallics/TiB₂ composites featuring Ti₃Al, TiAl, TiAl₂, and TiAl₃ as the dominant aluminide phase were respectively synthesized from the samples of Ti-25%~40% Al, Ti-50%~60% Al, Ti-71.4% Al, and Ti-75% Al. For the samples of Ti-25% Al and Ti-30% Al, Ti₃Al was the only aluminide formed. The microstructure of the composites exhibited that TiB₂ grains with a columnar shape of 2–3 μm in length were well distributed and embedded in the aluminide matrix. This study demonstrated an effective and energy-saving fabrication route for producing Ti-Al intermetallics/TiB₂ composites with different dominant aluminide phases. Full article

A recently proposed scalar forcing scheme that maintains the mixture fraction mean, root-mean-square and probability density function in the unburned gas can lead to a statistically quasi-stationary state in direct numerical simulations of turbulent stratified combustion when combined with velocity forcing. Scalar forcing alongside turbulence forcing leads to greater values of turbulent burning velocity and flame surface area in comparison to unforced simulations for globally fuel-lean mixtures. The sustained unburned gas mixture inhomogeneity changes the percentage shares of back- and front-supported flame elements in comparison to unforced simulations, and this effect is particularly apparent for high turbulence intensities. Scalar forcing does not significantly affect the heat release rates due to different modes of combustion and the micro-mixing rate within the flame characterised by scalar dissipation rate of the reaction progress variable. Thus, scalar forcing has a significant potential for enabling detailed parametric studies as well as providing well-converged time-averaged statistics for stratified-mixture combustion using Direct Numerical Simulations in canonical configurations. Full article

In situ formation of TiB₂–Mg₂TiO₄ composites was investigated by combustion synthesis involving the solid-state reaction of Ti with boron and magnesiothermic reduction of B₂O₃. Certain amounts of MgO and TiO₂ were added to the reactant mixtures of Ti/B/Mg/B₂O₃ to act as the moderator of highly exothermic combustion and a portion of the precursors to form Mg₂TiO₄. Two combustion systems were designed to ensure that synthesis reactions were sufficiently energetic to carry on self-sustainably, that is, in the mode of self-propagating high-temperature synthesis (SHS). Consistent with thermodynamic analyses, experimental results indicated that the increase in pre-added MgO and TiO₂ decreased the combustion temperature and propagation velocity of the flame front. MgO was shown to have a stronger dilution effect on combustion exothermicity than TiO₂, because the extent of magnesiothermic reduction of B₂O₃ was reduced in the MgO-added samples. In situ formation of the TiB₂–Mg₂TiO₄ composite was achieved from both types of samples. It is believed that, in the course of the SHS progression, Mg₂TiO₄ was produced through a combination reaction between MgO and TiO₂, both of which were entirely or partially generated from the metallothermic reduction of B₂O₃. The microstructure of the products exhibited fine TiB₂ crystals in the shape of short rods and thin platelets that existed within the gaps of Mg₂AlO₄ grains. Both constituent phases were well distributed. A novel and efficient synthesis route, which is energy- and time-saving, for producing Mg₂TiO₄-containing composites was demonstrated. Full article