arXiv subjects

Christian Hasse

Publications and source records attributed to Christian Hasse.

34 records · Page 2Linked to original sources

arXiv2023

Assessment of flamelet manifolds for turbulent flame-wall interactions in Large-Eddy Simulations

A turbulent side-wall quenching (SWQ) flame in a fully developed channel flow is studied using Large-Eddy Simulation (LES) with a tabulated chemistry approach. Three different flamelet manifolds with increasing levels of complexity are applied: the Flamelet-Generated Manifold (FGM) considering varying enthalpy levels, the Quenching Flamelet-Generated Manifold (QFM), and the recently proposed Quenching Flamelet-Generated Manifold with Exhaust Gas Recirculation (QFM-EGR), with the purpose being to assess their capability to predict turbulent flame-wall interactions (FWIs), which are highly relevant to numerical simulations of real devices such as gas turbines and internal combustion engines. The accuracy of the three manifolds is evaluated and compared a posteriori, using the data from a previously published flame-resolved simulation with detailed chemistry for reference. For LES with the FGM, the main characteristics such as the mean flow field, temperature, and major species can be captured well, while notable deviations from the reference results are observed for the near-wall region, especially for pollutant species such as \ce{CO}. In accordance with the findings from laminar FWI, improvement is also observed in the simulation with QFM under turbulent flow conditions. Although LES with the QFM-EGR shows a similar performance in the prediction of mean quantities as LES with QFM, it presents significantly better agreement with the reference data regarding instantaneous thermo-chemical states near the quenching point. This indicates the necessity to take into account the mixing effects in the flamelet manifold to correctly capture the flame-vortex interaction near the flame tip in turbulent configurations. Based on the findings from this study, suitable flamelet manifolds can be chosen depending on the aspects of interest in practical applications.

physics.flu-dyn↗

arXiv2023

Application of dense neural networks for manifold-based modeling of flame-wall interactions

Artifical neural networks (ANNs) are universal approximators capable of learning any correlation between arbitrary input data with corresponding outputs, which can also be exploited to represent a low-dimensional chemistry manifold in the field of combustion. In this work, a procedure is developed to simulate a premixed methane-air flame undergoing side-wall quenching utilizing an ANN chemistry manifold. In the investigated case, the flame characteristics are governed by two canonical problems: the adiabatic flame propagation in the core flow and the non-adiabatic flame-wall interaction governed by enthalpy losses to the wall. Similar to the tabulation of a Quenching Flamelet-Generated Manifold (QFM), the neural network is trained on a 1D head-on quenching flame database to learn the intrinsic chemistry manifold. The control parameters (i.e. the inputs) of the ANN are identified from thermo-chemical state variables by a sparse principal component analysis (PCA) without using prior knowledge about the flame physics. These input quantities are then transported in the coupled CFD solver and used for manifold access during simulation runtime. The chemical source terms are corrected at the manifold boundaries to ensure boundedness of the thermo-chemical state at all times. Finally, the ANN model is assessed by comparison to simulation results of the 2D side-wall quenching (SWQ) configuration with detailed chemistry and with a flamelet-based manifold (QFM).

physics.flu-dyn↗

arXiv2023

Numerical Investigation of the Local Thermo-Chemical State in a Thermo-Acoustically Unstable Dual Swirl Gas Turbine Model Combustor

In this work, the thermo-acoustic instabilities of a gas turbine model combustor, the so-called SFB606 combustor, are numerically investigated using Large Eddy Simulation (LES) combined with tabulated chemistry and Artificial Thickened Flame (ATF) approach. The main focus is a detailed analysis of the thermo-acoustic cycle and the accompanied equivalence ratio oscillations and their associated convective time delay. In particular, the variations of the thermo-chemical state and flame characteristics over the thermo-acoustic cycle are investigated. For the operating point flame B ($P_{th}=25\,$kW), the burner exhibits thermo-acoustic instabilities with a dominant frequency of 392Hz, the acoustic eigenmode of the inner air inlet duct. These oscillations are accompanied by an equivalence ratio oscillation, which exhibits a convective time delay between the injection in the inner swirler and the flame zone. Two LES, one adiabatic and one accounting for heat losses at the walls by prescribing the wall temperatures from experimental data and Conjugated Heat Transfer (CHT) simulations, are conducted. Results with the enthalpy-dependent table are found to predict the time-averaged flow field in terms of velocity, major species, and temperature with higher accuracy than in the adiabatic case. Further, they indicate, that heat losses should be accounted for to correctly predict the flame position. Subsequently, the thermo-chemical state variations over the thermo-acoustic cycle for the enthalpy-dependant case are analyzed in detail and compared with experimental data in terms of phase-conditioned averaged profiles and conditional averages. An overall good prediction is observed. The results provide a detailed quantitative analysis of the thermo-acoustic feedback mechanism of this burner.

physics.flu-dyn↗

arXiv2023

A comparison of mechanistic models for the combustion of iron microparticles and their application to polydisperse iron-air suspensions

Metals can serve as carbon-free energy carriers, e. g. in innovative metal-metal oxide cycles as proposed by Bergthorson (Prog. Energy Combust. Sci., 2018). Iron powder is a suitable candidate since it can be oxidized with air. Nevertheless, the combustion of iron powder in air is challenging especially with respect to flame stabilization which depends on the particle size distribution among other factors. Models for the prediction of reaction front speed in iron-air suspensions can contribute to overcoming this challenge. To this end, three different models for iron particle oxidation are integrated into a laminar flame solver for simulating reaction fronts. The scientific objective of this work is to elucidate the influence of polydispersity on the reaction front speed, which is still not satisfactorily understood. In a systematic approach, cases with successively increasing complexity are considered: From single particle combustion to iron-air suspensions prescribing binary particle size distributions (PSDs), generic PSDs, and a PSD measured for a real iron powder sample. The simulations show that, dependent on the PSD, particles undergo thermochemical conversion in a sequential manner according to their size and every particle fraction exhibits an individual combustion environment. The local environment can be leaner or richer than the overall iron-to-air ratio would suggest and can be very different from single particle experiments. The contribution of individual particle fractions to the overall reaction front speed depends on its ranking within the PSD. The study further demonstrates, that although the three particle models show good agreement for single particle combustion, they lead to very different reaction front speeds. This is due to the different ignition behavior predicted by the particle models, which is shown to strongly influence the reaction front characteristics.

physics.flu-dyn↗

arXiv2023

The potential of retrofitting existing coal power plants: a case study for operation with green iron

Storing electrical energy for long periods and transporting it over long distances is an essential task of the necessary transition to a CO$_2$-free energy economy. An oxidation-reduction cycle based on iron and its oxides represents a very promising technology in this regard. The present work assesses the potential of converting an existing modern coal-fired power plant to operation with iron. For this purpose, a systematic retrofit study is carried out, employing a model that balances all material and energy fluxes in a state-of-the-art coal-fired power plant. Particular attention is given to components of the burner system and the system$'$s heat exchanger. The analysis provides evidence that main components such as the steam generator and steam cycle can be reused with moderate modifications. Major modifications are related to the larger amounts of solids produced during iron combustion, for instance in the particle feeding and removal systems. Since the high particle densities and lower demand for auxiliary systems improve the heat transfer, the net efficiencies of iron operation can be one to two percentage points better than coal operation, depending on operating conditions. This new insight can significantly accelerate the introduction of this innovative technology by guiding future research and the development of the retrofit option.

eess.SY↗

arXiv2023

Techno-economic assessment of long-distance supply chains of energy carriers: Comparing hydrogen and iron for carbon-free electricity generation

Effective usage of renewable energy requires ways of storage and delivery to balance energy demand and availability divergences. Carbon-free chemical energy carriers are proposed solutions, converting clean electricity into stable media for storage and long-distance energy trade. Hydrogen (H$_2$) is the subject of significant investment and research. Metal fuels, such as iron (Fe), are promising solutions for a clean energy supply, but establishing an interconnected ecosystem still requires considerable research and development. A model is proposed to assess the supply chain of hydrogen and iron as clean, carbon-free energy carriers and then examines case studies of possible trade routes between the potential energy exporters Morocco, Saudi Arabia, and Australia and importers Germany and Japan. The work comprehends the assessment of economic (levelized cost of electricity - LCOE), energetic (thermodynamic efficiency) and environmental (CO$_2$ emissions) aspects, quantified by the comprehensive model accounting for the most critical processes in the supply chain. Sensitivity and uncertainty analyses identify the main drivers for energy costs. Iron is shown to be lower-cost and more efficient to transport in longer routes and for long-term storage, but potentially more expensive and less efficient than H$_2$ to produce and convert. Uncertainties related to the supply chain specifications and the sensitivity to the used variables indicate that the path to viable energy carriers fundamentally depends on efficient synthesis, conversion, storage, and transport. A break-even analysis demonstrated that clean energy carriers could be competitive with conventional energy carriers at low renewable energy prices, while carbon taxes might be needed to level the playing field. Thereby, green iron is an important potential energy carrier for long-distance trade in a globalized clean energy market.

physics.soc-ph↗

arXiv2023

Combined effects of heat loss and curvature on turbulent flame-wall interaction in a premixed dimethyl ether/air flame

This study investigates the effects of curvature on the local heat release rate and mixture fraction during turbulent flame-wall interaction of a lean dimethyl ether/air flame using a fully resolved simulation with a reduced skeletal chemical reaction mechanism and mixture-averaged transport. The region in which turbulent flame-wall interaction affects the flame is found to be restricted to a wall distance less than twice the laminar flame thickness. In regions without heat losses, heat release rate and curvature, as well as mixture fraction and curvature, are negatively correlated, which is in accordance with experimental findings. Flame-wall interaction alters the correlation between heat release rate and curvature. An inversion in the sign of the correlation from negative to positive is observed as the flame starts to experience heat losses to the wall. The correlation between mixture fraction and curvature, however, is unaffected by flame-wall interactions and remains negative. Similarly to experimental findings, the investigated turbulent side-wall quenching flame shows both head-on quenching and side-wall quenching-like behavior. The different quenching events are associated with different curvature values in the near-wall region. Furthermore, for medium heat loss, the correlations between heat release rate and curvature are sensitive to the quenching scenario.

physics.flu-dyn↗

arXiv2023

Flamelet modeling of thermo-diffusively unstable hydrogen-air flames

In order to reduce CO2 emissions, hydrogen combustion has become increasingly relevant for technical applications. In this context, lean H2-air flames show promising features but, among other characteristics, they tend to exhibit thermo-diffusive instabilities. The formation of cellular structures associated with these instabilities leads to an increased flame surface area which further promotes the flame propagation speed, an important reference quantity for design, control, and safe operation of technical combustors. While many studies have addressed the physical phenomena of intrinsic flame instabilities in the past, there is also a demand to predict such flame characteristics with reduced-order models to allow computationally efficient simulations. In this work, a H2-air spherical expanding flame, which exhibits thermo-diffusive instabilities, is studied with flamelet-based modeling approaches both in a-priori and a-posteriori manner. A recently proposed Flamelet/Progress Variable (FPV) model, with a manifold based on unstretched planar flames, and a novel FPV approach, which takes into account a large curvature variation in the tabulated manifold, are compared to detailed chemistry (DC) calculations. First, both FPV approaches are assessed in terms of an a-priori test with the DC reference dataset. Thereafter, the a-posteriori assessment contains two parts: a linear stability analysis of perturbed planar flames and the simulation of the spherical expanding flame. Both FPV models are systematically analyzed considering global and local flame properties in comparison to the DC reference data. It is shown that the new FPV model, incorporating large curvature variations in the manifold, leads to improved predictions for the microstructure of the corrugated flame front and the formation of cellular structures, while global flame properties are reasonably well reproduced by both models.

physics.flu-dyn↗

arXiv2022

Numerical modeling of pulverized iron flames in a multidimensional hot counterflow burner

Pulverized iron flames stabilized in a multidimensional hot counterflow burner are simulated using a numerical model, which is extended from the state-of-the-art model developed by Hazenberg and van Oijen (PCI, 2021) considering unsteady effects. The results are compared to available experimental data (McRae et al., PCI, 2019), including particle image velocimetry measurements, a direct flame photo, the flow field velocity and the flame speed for different iron and oxygen concentrations. The comparison shows that the particle dynamics and flame shape can be reasonably well predicted. The flow field velocity and flame speed also show quantitative agreement between the simulation and the experiment. Based on the validated simulation results, the iron combustion characteristics, including the thermal structures and the multidimensional effects, are analyzed for different oxidizer environments. The analysis shows that the iron particles undergo a transition from kinetic-controlled regime (up to ignition) to a diffusion-controlled regime (burning) at the central axis for both environments with the particle temperature being higher than the gas temperature at the flame front, which is indicated by the Damköhler number. For the hot counterflow burner, there exist multidimensional effects, i.e., the temperature and Damköhler number change along the radial direction.

physics.flu-dyn↗

arXiv2022

Effect of flame retardants on side-wall quenching of partially premixed laminar flames

A combined experimental and numerical investigation of partially premixed laminar methane-air flames undergoing side-wall quenching (SWQ) is performed. A well-established SWQ burner is adapted to allow the seeding of the main flow with additional gaseous products issued from a (secondary) wall inlet close to the flame's quenching point. First, the characteristics of the partially premixed flame that quenches at the wall are assessed using planar laser-induced fluorescence measurements of the OH radical, and a corresponding numerical simulation with fully-resolved transport and chemistry is conducted. A boundary layer of enriched mixture is formed at the wall, leading to a reaction zone parallel to the wall for high injection rates from the wall inlet. Subsequently, in a numerical study, the wall inflow is mixed with dimethylmethylphosphonat (DMMP), a phosphor-based flame retardant. The DMMP addition allows the assessment of the combined effects of heat loss and flame retardants on the flame structure during flame-wall interaction. With an increasing amount of DMMP in the injected mixture, the flame stabilizes further away from the wall and shows a decrease in the local heat-release rate. Thereby, the maximum wall heat flux is significantly reduced. That results in a lower thermal load on the quenching wall. The flame structure analysis shows an accumulation of the intermediate species HOPO at the wall similar to the CO accumulation during the quenching of premixed flames without flame retardant addition. The study shows how the structure of a partially premixed flame is influenced by a wall that releases either additional fuel or a mixture of fuel and flame retardant. The insights gained from the canonical configuration can lead to a better understanding of the combined effects of flame retardants and heat losses in near-wall flames.

physics.flu-dyn↗

arXiv2022

Flame-vortex interaction during turbulent side-wall quenching and its implications for flamelet manifolds

In this study, the thermochemical state during turbulent flame-wall interaction of a stoichiometric methane-air flame is investigated using a fully resolved simulation with detailed chemistry. The turbulent side-wall quenching flame shows both head-on quenching and side-wall quenching-like behavior that significantly affects the CO formation in the near-wall region. The detailed insights from the simulation are used to evaluate a recently proposed flame (tip) vortex interaction mechanism identified from experiments on turbulent side-wall quenching. It describes the entrainment of burnt gases into the fresh gas mixture near the flame's quenching point. The flame behavior and thermochemical states observed in the simulation are similar to the phenomena observed in the experiments. A novel chemistry manifold is presented that accounts for both the effects of flame dilution due to exhaust gas recirculation in the flame vortex interaction area and enthalpy losses to the wall. The manifold is validated in an a-priori analysis using the simulation results as a reference. The incorporation of exhaust gas recirculation effects in the manifold leads to a significantly increased prediction accuracy in the near-wall regions of flame-vortex interactions.

physics.flu-dyn↗

arXiv2022

Experimental and numerical study on the effect of oxymethylene ether-3 (OME3) on soot particle formation

The reduction and control of particulate matter generated by fossil fuel combustion are among the main issues for actual and future combustion devices due to the increasingly stringent emission regulations. Recently, various fuels have been investigated as a potential substitute or additive for diesel and gasoline. This work focuses on how oxymethylene ether-3 (OME3), the smallest promising OME compound, affects carbon particulate formation when blended with ethylene in burner-stabilized premixed flames at different equivalence ratios. Particle size distribution (PSD) and Laser Induced Fluorescence (LIF) and Incandescence (LII) along with numerical (Conditional Quadrature Method of Moments - CQMOM, based on D'Anna physico-chemical soot model) investigations were conducted to study particle formation and growth in pure ethylene and ethylene/OME3 flames. The soot volume fraction and PSD indicate a reduction in the total number and the size of the soot particles at all equivalence ratios, while the number of small nanoparticles remains almost unchanged. The CQMOM model is able to predict similar trends for the soot volume fraction and, using the entropy maximization concept, the general shape of the PSD for both pure ethylene and OME3-blended flames, compared to the experimental measurements. Further, carbon particulate matter was thermophoretically sampled in the highest equivalence ratio conditions and spectroscopically analyzed. The soot structure was investigated using UV-Visible and Raman spectroscopy, finding a slightly higher aromaticity for the pure ethylene soot. FTIR analysis showed that carbon particulate matter produced from an OME3-doped flame contained larger amounts of oxygen, mainly in the form of C=O.

physics.chem-ph↗

arXiv2022

Evaluation of Quadrature-based Moment Methods in turbulent premixed combustion

Transported probability density function (PDF) methods are widely used to model turbulent flames characterized by strong turbulence-chemistry interactions. Numerical methods directly resolving the PDF are commonly used, such as the Lagrangian particle or the stochastic fields (SF) approach. However, especially for premixed combustion configurations, characterized by high reaction rates and thin reaction zones, a fine PDF resolution is required, both in physical and in composition space, leading to high numerical costs. An alternative approach to solve a PDF is the method of moments, which has shown to be numerically efficient in a wide range of applications. In this work, two Quadrature-based Moment closures are evaluated in the context of turbulent premixed combustion. The Quadrature-based Moment Methods (QMOM) and the recently developed Extended QMOM (EQMOM) are used in combination with a tabulated chemistry approach to approximate the composition PDF. Both closures are first applied to an established benchmark case for PDF methods, a plug-flow reactor with imperfect mixing, and compared to reference results obtained from Lagrangian particle and SF approaches. Second, a set of turbulent premixed methane-air flames are simulated, varying the Karlovitz number and the turbulent length scale. The turbulent flame speeds obtained are compared with SF reference solutions. Further, spatial resolution requirements for simulating these premixed flames using QMOM are investigated and compared with the requirements of SF. The results demonstrate that both QMOM and EQMOM approaches are well suited to reproduce the turbulent flame properties. Additionally, it is shown that moment methods require lower spatial resolution compared to SF method.

physics.flu-dyn↗

arXiv2022

Soot particle size distribution reconstruction in a turbulent sooting flame with the split-based extended quadrature method of moments

The Method of Moments (MOM) has largely been applied to investigate sooting laminar and turbulent flames. However, the classical MOM is not able to characterize a continuous particle size distribution (PSD). Without access to information on the PSD, it is difficult to accurately take into account particle oxidation, which is crucial for shrinking and eliminating soot particles. Recently, the Split-based Extended Quadrature Method of Moments (S-EQMOM) has been proposed as a numerically robust alternative to overcome this issue (Salenbauch et al., 2019). The main advantage is that a continuous particle number density function can be reconstructed by superimposing kernel density functions (KDF). Moreover, the S-EQMOM primary nodes are determined individually for each KDF, improving the moment realizability. In this work, the S-EQMOM is combined with a Large Eddy Simulation/presumed-PDF flamelet/progress variable approach for predicting soot formation in the Delft Adelaide Flame III. The target flame features low/high sooting propensity/intermittency and comprehensive flow/scalar/soot data are available for model validation. Simulation results are compared with the experimental data for both the gas phase and the particulate phase. A good quantitative agreement has been obtained especially in terms of the soot volume fraction. The reconstructed PSD reveals predominantly unimodal/bimodal distributions in the first/downstream portion of this flame, with particle diameters smaller than 100 nm. By investigating the instantaneous and statistical sooting behavior at the flame tip, it has been found that the experimentally observed soot intermittency is linked to mixture fraction fluctuations around its stoichiometric value that exhibit a bimodal probability density function.

physics.flu-dyn↗

arXiv2022

Iron as a sustainable chemical carrier of renewable energy: Analysis of opportunities and challenges for retrofitting coal-fired power plants

As a result of the 2021 United Nations Climate Change Conference (COP26), several countries committed to phasing down coal electricity as soon as possible, deactivating hundreds of power plants in the near future. CO$_2$-free electricity can be generated in these plants by retrofitting them for iron combustion. Iron oxides produced during the process can be collected and reduced back to metallic iron using H$_2$, in a circular process where it becomes an energy carrier. Using clean energy in the recycling process enables storage and distribution of excess generated in periods of abundance. This concept uses and scales up existing dry metal cycle technologies, which are the focus of extensive research worldwide. Retrofitting is evaluated here to determine feasibility of adding these material requirements to markets, in the context of current plans for decarbonization of steel industry, and policies on hydrogen and renewable electricity. Results indicate that not only for a single power plant, but also on larger scales, the retrofitting plan is viable, promoting and supporting advancements in sustainable electricity, steel industry and hydrogen production, converging necessary technological and construction efforts. The maturation and first commercial-scale application of iron combustion technology by 2030, together with developing necessary reduction infrastructure over the next decades, would pave the way for large-scale retrofitting and support the phasing out of coal in many regions. The proposed plan represents a feasible solution that takes advantage of existing assets, creates a long-lasting legacy for the industry and establishes circular energy economies that increase local energy security.

physics.soc-ph↗

arXiv2022

Particle formation in oxymethylene ethers (OMEn, n = 2-4) / ethylene premixed flames

Alternative synthetic fuels can be produced by renewable energy sources and represent a potential route for solving long-term energy storage. Among them, oxygenated fuels have the advantage of significantly reducing pollutant emissions and can therefore be used as carbon-neutral substitute fuels for transportation. In this work, the sooting propensity of different oxymethylene ethers (OMEn) is investigated using a combined experimental and numerical study on a series of burner-stabilized premixed flames under mild to severe sooting conditions. Herein, mixtures of ethylene in combination with the three individual OMEn for n=2-4 are compared in terms of soot formation behavior with pure ethylene flames. The kinetic mechanism from Sun et al. (Proc. Combust. Inst. 36, 1269-1278, 2017) for oxymethylene ether OMEn combustion with n=1-3 is extended to include OME4 decomposition and combustion kinetics. In the numerical simulations, the kinetic mechanism is combined with a detailed quadvariate soot model which uses the Conditional Quadrature Method of Moments and validated with Laser-Induced Fluorescence (LIF) and Laser-Induced Incandescence (LII) measurements. It is observed, that the three investigated OMEn with n=2-4 show similar sooting behavior, mainly reducing larger aggregates while not significantly affecting the formation of smaller particles. Furthermore, the extent of soot reduction is comparable among the three OMEn. The trends and overall reduction are very well captured by the model. The modeling results are analyzed through reaction path analyses and sensitivity studies which show the important role of OMEn decomposition and the formation of CH2O under these rich conditions to reduce species relevant for soot formation. This is at the base of the negligible observed differences in terms of soot formation for the different OMEn fuels.

physics.chem-ph↗