# Showing papers in "Combustion Theory and Modelling in 2012"

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TL;DR: In this article, it was shown that the quasi-steady state approximation is a limiting case of the partial equilibrium approximation, and that the accuracy and stability delivered by the two approximations are equivalent to those obtained with leading-order asymptotics.

Abstract: The quasi steady state and partial equilibrium approximations are analysed in the context of a system of nonlinear differential equations exhibiting multiscale behaviour. Considering systems in the most general and dimensional form , it is shown that both approximations are limiting cases of leading-order asymptotics. Algorithmic conditions are established which guarantee that the accuracy and stability delivered by the two approximations are equivalent to those obtained with leading-order asymptotics. It is shown that the quasi steady state approximation is a limiting case of the partial equilibrium approximation. Algorithms are reported for the identification of the variables in quasi steady state and/or of the processes in partial equilibrium.

62 citations

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TL;DR: In this paper, a comparison of three methods for solving the same underlying modelled composition PDF transport equation: a consistent hybrid Lagrangian particle/Eulerian mesh (LPEM) method, a stochastic Eulerian field (SEF) method and a deterministic EulerIAN field method with a direct-quadrature method-of-moments closure (a multi-environment PDF-MEPDF method).

Abstract: Transported probability density function (PDF) methods have been applied widely and effectively for modelling turbulent reacting flows. In most applications of PDF methods to date, Lagrangian particle Monte Carlo algorithms have been used to solve a modelled PDF transport equation. However, Lagrangian particle PDF methods are computationally intensive and are not readily integrated into conventional Eulerian computational fluid dynamics (CFD) codes. Eulerian field PDF methods have been proposed as an alternative. Here a systematic comparison is performed among three methods for solving the same underlying modelled composition PDF transport equation: a consistent hybrid Lagrangian particle/Eulerian mesh (LPEM) method, a stochastic Eulerian field (SEF) method and a deterministic Eulerian field method with a direct-quadrature-method-of-moments closure (a multi-environment PDF-MEPDF method). The comparisons have been made in simulations of a series of three non-premixed, piloted methane–air turbulent jet flam...

54 citations

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TL;DR: A new thermodynamic coupling strategy for complex reacting flow in a low Mach number framework that retains the efficiencies of Strang splitting compared to a traditional method-of-lines approach in that each process is discretised sequentially using a numerical method well suited for its particular time scale.

Abstract: We present a new thermodynamic coupling strategy for complex reacting flow in a low Mach number framework. In such flows, the advection, diffusion and reaction processes span a broad range of time scales. In order to reduce splitting errors inherent in Strang splitting approaches, we couple the processes with a multi-implicit spectral deferred correction strategy. Our iterative scheme uses a series of relatively simple correction equations to reduce the error in the solution. The new method retains the efficiencies of Strang splitting compared to a traditional method-of-lines approach in that each process is discretised sequentially using a numerical method well suited for its particular time scale. We demonstrate that the overall scheme is second-order accurate and provides increased accuracy with less computational work compared to Strang splitting for terrestrial and astrophysical flames. The overall framework also sets the stage for higher-order coupling strategies.

52 citations

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Lund University

^{1}TL;DR: In this article, a multidimensional chemistry coordinate mapping (CCM) approach is presented for efficient integration of chemical kinetics in numerical simulations of turbulent reactive flows, where flow transport is integrated in the computational cells in physical space, whereas the integration chemical reactions are carried out in a phase space made up of a few principal variables.

Abstract: A multidimensional chemistry coordinate mapping (CCM) approach is presented for efficient integration of chemical kinetics in numerical simulations of turbulent reactive flows. In CCM the flow transport is integrated in the computational cells in physical space, whereas the integration chemical reactions are carried out in a phase space made up of a few principal variables. Each cell in the phase space corresponds to several computational cells in the physical space, resulting in a speedup of the numerical integration. In reactive flows with small hydrocarbon fuels two principal variables have been shown to be satisfactory to construct the phase space. The two principal variables are the temperature (T) and the specific element mass ratio of the H atom (J H). A third principal variable, σ=∇J H·∇J H, which is related to the dissipation rate of J H, is required to construct the phase space for combustion processes with an initially non-premixed mixture. For complex higher hydrocarbon fuels, e.g. n-heptane, ...

48 citations

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TL;DR: In this paper, a high explosive burn model based on the ignition & growth concept of hot-spot reaction is used for the TATB-based explosive PBX 9502, the model has been calibrated to shock-to-detonation transition experiments.

Abstract: SURF is a high explosive burn model based on the ignition & growth concept of hot-spot reaction. For the TATB based explosive PBX 9502, the model has been calibrated to shock-to-detonation transition experiments. To apply the SURF model for propagating detonation waves, the rate has to be extended to a higher pressure regime than is sampled by shock initiation experiments. The experimentally measured curvature effect – detonation speed as a function of front curvature or D n(κ) – provides the appropriate data for calibrating the propagation regime. The calibration to the curvature effect is based on the ODEs for the reaction zone profile of a detonation wave in conjunction with a shooting algorithm to determine the rate model parameters, for a given κ, needed to obtain a specified detonation speed. A complication for calibrating PBX 9502 rate models arises from the kink in the experimentally measured D n(κ) curve. This results from the fast and slow reactions that TATB exhibits. To account for this, we us...

46 citations

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TL;DR: In this article, a skeletal mechanism with 123 species and 394 reactions for a tri-component biodiesel surrogate, which consists of methyl decanoate, methyl 9-decanoate and n-heptane was developed for simulations of 3-D turbulent spray combustion under engine-like conditions.

Abstract: Biodiesel is a promising alternative fuel for compression ignition (CI) engines. It is a renewable energy source that can be used in these engines without significant alteration in design. The detailed chemical kinetics of biodiesel is however highly complex. In the present study, a skeletal mechanism with 123 species and 394 reactions for a tri-component biodiesel surrogate, which consists of methyl decanoate, methyl 9-decanoate and n-heptane was developed for simulations of 3-D turbulent spray combustion under engine-like conditions. The reduction was based on an improved directed relation graph (DRG) method that is particularly suitable for mechanisms with many isomers, followed by isomer lumping and DRG-aided sensitivity analysis (DRGASA). The reduction was performed for pressures from 1 to 100 atm and equivalence ratios from 0.5 to 2 for both extinction and ignition applications. The initial temperatures for ignition were from 700 to 1800 K. The wide parameter range ensures the applicability of the s...

44 citations

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TL;DR: In this paper, a posteriori analysis of the statistics of two large-eddy simulation (LES) solutions describing a piloted methane-air (Sandia D) flame is performed on a series of grids with progressively increased resolution reaching about 10.5 million cells.

Abstract: A posteriori analysis of the statistics of two large-eddy simulation (LES) solutions describing a piloted methane–air (Sandia D) flame is performed on a series of grids with progressively increased resolution reaching about 10.5 million cells. Chemical compositions, density and temperature fields are modelled with a steady flamelet approach and parametrised by the mixture fraction. The difference between the LES solutions arises from a different numerical treatment of the subgrid scale (SGS) mixture fraction variance – an important quantity of interest in non-premixed combustion modelling. In the first case (model I), the variance transport equation is solved directly, while in the second (model II), an equation for the square of the mixture fraction is solved, and the variance is computed from its definition. The comparison of the LES solutions is based on the convergence properties of their statistics with respect to the turbulence resolution length scale. The dependence of the LES statistics is analyse...

43 citations

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TL;DR: In this paper, the complex oscillatory behavior observed in fuel-lean premixed hydrogen/air atmospheric pressure flames in an open planar channel with prescribed wall temperature is investigated by means of direct numerical simulations, employing detailed chemistry descriptions and species transport, and nonlinear dynamics analysis.

Abstract: The complex oscillatory behaviour observed in fuel-lean premixed hydrogen/air atmospheric pressure flames in an open planar channel with prescribed wall temperature is investigated by means of direct numerical simulations, employing detailed chemistry descriptions and species transport, and nonlinear dynamics analysis. As the inflow velocity is varied, the sequence of transitions includes harmonic single frequency oscillations, intermittency, mixed mode oscillations, and finally a period-doubling cascade leading to chaotic dynamics. The observed modes are described and characterised by means of phase-space portraits and next amplitude maps. It is shown that the interplay of chemistry, transport, and wall-bounded developing flow leads to considerably richer dynamics compared to fuel-lean hydrogen/air continuously stirred tank reactor studies.

41 citations

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Lund University

^{1}TL;DR: In this article, a direct numerical simulation (DNS) coupling with multi-zone chemistry mapping (MZCM) is presented to simulate flame propagation and auto-ignition in premixed fuel/air mixtures.

Abstract: A direct numerical simulation (DNS) coupling with multi-zone chemistry mapping (MZCM) is presented to simulate flame propagation and auto-ignition in premixed fuel/air mixtures. In the MZCM approach, the physical domain is mapped into a low-dimensional phase domain with a few thermodynamic variables as the independent variables. The approach is based on the fractional step method, in which the flow and transport are solved in the flow time steps whereas the integration of the chemical reaction rates and heat release rate is performed in much finer time steps to accommodate the small time scales in the chemical reactions. It is shown that for premixed mixtures, two independent variables can be sufficient to construct the phase space to achieve a satisfactory mapping. The two variables can be the temperature of the mixture and the specific element mass ratio of H atom for fuels containing hydrogen atoms. An aliasing error in the MZCM is investigated. It is shown that if the element mass ratio is based on th...

40 citations

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TL;DR: Conditional Source Term Estimation (CSE) is a closure model for turbulence-chemistry interactions as discussed by the authors, which uses the first-order CMC hypothesis to close the chemical reaction source terms.

Abstract: Conditional Source-term Estimation (CSE) is a closure model for turbulence–chemistry interactions. This model uses the first-order CMC hypothesis to close the chemical reaction source terms. The conditional scalar field is estimated by solving an integral equation using inverse methods. It was originally developed and has been used extensively in non-premixed combustion. This work is the first application of this combustion model for a premixed flame. CSE is coupled with a Trajectory Generated Low-Dimensional Manifold (TGLDM) model for chemistry. The CSE-TGLDM combustion model is used in a RANS code to simulate a turbulent premixed Bunsen burner. Along with this combustion model, a similar model which relies on the flamelet assumption is also used for comparison. The results of these two approaches in the prediction of the velocity field, temperature and species mass fractions are compared together. Although the flamelet model is less computationally expensive, the CSE combustion model is more general and...

40 citations

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TL;DR: A novel approach that combines an exponential integrator and Krylov subspace approximations to the exponential function of the Jacobian matrix to cope with the computational cost associated with the time integration of stiff, large chemical systems is proposed.

Abstract: Recent trends in hydrocarbon fuel research indicate that the number of species and reactions in chemical kinetic mechanisms is rapidly increasing in an effort to provide predictive capabilities for fuels of practical interest. In order to cope with the computational cost associated with the time integration of stiff, large chemical systems, a novel approach is proposed. The approach combines an exponential integrator and Krylov subspace approximations to the exponential function of the Jacobian matrix. The components of the approach are described in detail and applied to the ignition of stoichiometric methane–air and iso-octane–air mixtures, here described by two widely adopted chemical kinetic mechanisms. The approach is found to be robust even at relatively large time steps and the global error displays a nominal third-order convergence. The performance of the approach is improved by utilising an adaptive algorithm for the selection of the Krylov subspace size, which guarantees an approximation to the m...

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TL;DR: In this paper, a multi-step reaction model is developed to describe heterogeneous processes occurring upon heating of an Al-CuO nanocomposite material prepared by arrested reactive milling.

Abstract: A multi-step reaction model is developed to describe heterogeneous processes occurring upon heating of an Al-CuO nanocomposite material prepared by arrested reactive milling. The reaction model couples a previously derived Cabrera-Mott oxidation mechanism describing initial, low temperature processes and an aluminium oxidation model including formation of different alumina polymorphs at increased film thicknesses and higher temperatures. The reaction model is tuned using traces measured by differential scanning calorimetry. Ignition is studied for thin powder layers and individual particles using respectively the heated filament (heating rates of 103–104 K s−1) and laser ignition (heating rate ∼106 K s−1) experiments. The developed heterogeneous reaction model predicts a sharp temperature increase, which can be associated with ignition when the laser power approaches the experimental ignition threshold. In experiments, particles ignited by the laser beam are observed to explode, indicating a substantial g...

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TL;DR: In this article, the authors show that the assumption works well if the nozzle exit velocity has a nearly top-hat profile, and they analyze the validity of this assumption by performing DNS studies with finite rate chemistry of the experimental counterflow configuration.

Abstract: The laminar burning velocity is a fundamental property that is extensively used in the study and modelling of premixed combustion processes. A counterflow flame configuration is commonly used to measure this quantity for different combustion systems. In this procedure, the burning velocities are typically measured at various low stretch conditions and the unstretched burning velocity is extrapolated from these measurements. This extrapolation is done assuming a theoretically one-dimensional system along the centre-line. We analyse the validity of this assumption by performing DNS studies with finite rate chemistry of the experimental counterflow configuration. The extrapolation process using one-dimensional computations is performed on the DNS data and the extrapolated value is compared to the computed laminar burning velocity for the chemical mechanism used. We show that the assumption works well if the nozzle exit velocity has a nearly top-hat profile. For non-uniform velocity profiles, it is shown that...

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TL;DR: In this paper, a flame spread model is formulated in three dimensions to simulate opposed flow flame spread over thin solid fuels, coupled with a three-dimensional gas radiation model to assess the role of radiation and effect of dimensionality on the prediction of the flame spread phenomena.

Abstract: In this work a flame-spread model is formulated in three dimensions to simulate opposed flow flame spread over thin solid fuels. The flame-spread model is coupled to a three-dimensional gas radiation model. The experiments [1] on downward spread and zero gravity quiescent spread over finite width thin fuel are simulated by flame-spread models in both two and three dimensions to assess the role of radiation and effect of dimensionality on the prediction of the flame-spread phenomena. It is observed that while radiation plays only a minor role in normal gravity downward spread, in zero gravity quiescent spread surface radiation loss holds the key to correct prediction of low oxygen flame spread rate and quenching limit. The present three-dimensional simulations show that even in zero gravity gas radiation affects flame spread rate only moderately (as much as 20% at 100% oxygen) as the heat feedback effect exceeds the radiation loss effect only moderately. However, the two-dimensional model with the gas radi...

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TL;DR: In this article, numerical simulations of axisymmetric reactive jets with one-step Arrhenius kinetics are used to investigate the problem of deflagration initiation in a premixed fuel-air mixture by the sudden discharge of a hot jet of its adiabatic reaction products.

Abstract: Numerical simulations of axisymmetric reactive jets with one-step Arrhenius kinetics are used to investigate the problem of deflagration initiation in a premixed fuel–air mixture by the sudden discharge of a hot jet of its adiabatic reaction products. For the moderately large values of the jet Reynolds number considered in the computations, chemical reaction is seen to occur initially in the thin mixing layer that separates the hot products from the cold reactants. This mixing layer is wrapped around by the starting vortex, thereby enhancing mixing at the jet head, which is followed by an annular mixing layer that trails behind, connecting the leading vortex with the orifice rim. A successful deflagration is seen to develop for values of the orifice radius larger than a critical value a c in the order of the flame thickness of the planar deflagration δL. Introduction of appropriate scales provides the dimensionless formulation of the problem, with flame initiation characterised in terms of a critical Damk...

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TL;DR: In this paper, the effect of increased activation energy on the time required to form a detonation wave and the change in behavior of each hot spot as the activation energy is increased was investigated.

Abstract: Acoustic timescale Deflagration-to-Detonation Transition (DDT) has been shown to occur through the generation of compression waves emitted by a hot spot or reaction centre where the pressure and temperature increase with little diminution of density. In order to compensate for the multi-scale nature of the physico-chemical processes, previous numerical simulations in this area have been limited to relatively small activation energies. In this work, a computational study investigates the effect of increased activation energy on the time required to form a detonation wave and the change in behaviour of each hot spot as the activation energy is increased. The simulations use a localised spatially distributed thermal power deposition of limited duration into a finite volume of reactive gas to facilitate DDT. The Adaptive Wavelet-Collocation Method is used to solve efficiently the 1-D reactive Euler equations with one-step Arrhenius kinetics. The DDT process as described in previous work is characterised by the formation of hot spots during an initial transient period, explosion of the hot spots and creation of an accelerating reaction front that reaches the lead shock and forms an overdriven detonation wave. Current results indicate that as the activation energy is raised the chemical heat release becomes more temporally distributed. Hot spots that produce an accelerating reaction front with low activation energies change behaviour with increased activation energy so that no accelerating reaction front is created. An acoustic timescale ratio is defined that characterises the change in behaviour of each hot spot.

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TL;DR: In this paper, the effects of injector length on combustion instability for a single-eleme nt, longitudinal rocket combustor were investigated using companion experiments that were developed to provide validation data for combustion instability.

Abstract: Computational studies were conducted to investigate the effects of oxidizer injector length on combustion instability for a single-eleme nt, longitudinal rocket combustor. The configuration is based on companion experiments that were developed to provide validation data for combustion instability. The experiment use s gaseous methane as fuel and decomposed hydrogen peroxide as oxidizer. As verified with multiple diagnostics, a baseline case demonstrates similar instability behavior as t he associated experimental case, with instability occurring at similar acoustic modes. Th is baseline case is then compared against four other oxidizer injector lengths, at similar ox idizer injector lengths as the experiment. The general trend of the computations is similar to the experiments, where the intermediate oxidizer injector length demonstrates the highest l evel of instability. The mechanisms which cause instability are then investigated using the c omputational results, with possible explanations given for the experimental behavior.

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TL;DR: In this article, the uncertainties associated with the numerical determination of the extinction strain rate not only depend upon the selected chemical kinetics parameters but also on the binary diffusion coefficients, and a Monte Carlo based high-dimensional model representation analysis was performed.

Abstract: A comprehensive investigation of the uncertainties associated with the experimental and numerical evaluation of the extinction strain rate in hydrogen/oxygen/nitrogen non-premixed flames is presented in this work. The reported new experimental uncertainties of the extinction strain rate include several sources of uncertainties that typically affect the characterisation of velocity and boundary conditions of counterflow flames via particle image velocimetry. The uncertainties associated with the numerical determination of the extinction strain rate not only depend upon the selected chemical kinetics parameters but also on the binary diffusion coefficients. In order to identify the major sources of uncertainties in the chemical and diffusion models, a Monte Carlo based high-dimensional model representation analysis of the extinction curve was performed. Independent and simultaneous perturbations of relevant chemical kinetics and diffusion parameters have shown that the uncertainties associated with the bina...

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TL;DR: In this article, the most likely reaction pathways and reaction products in the Al-CH4-O2-N2 system were investigated using density functional theory and ab initio calculations.

Abstract: The most likely reaction pathways and reaction products in the Al-CH4-O2-N2 system are investigated using density functional theory and ab initio calculations. The B3LYP functional with extended 6–311+G(3df,2p) basis set as well as the CBS-QB3 composite method are mainly utilised. Theoretical analysis of corresponding reaction rate constants is also performed with the use of simple theoretical models. A critical overview of current knowledge on combustion-relevant reactions with aluminium compounds is given. On the basis of critical comparison of available experimental kinetic data with theoretical calculations, the approximations for rate constants for 44 reversible elementary reactions involving Al-containing species are recommended for use in combustion issues.

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TL;DR: In this paper, the performance of tabulation methods for numerical simulation of complex chemical kinetics in laminar combusting flows and compares their predictions to results obtained by direct calculation is considered.

Abstract: The present study considers the performance of tabulation methods for numerical simulation of complex chemical kinetics in laminar combusting flows and compares their predictions to results obtained by direct calculation. Two tabulation methods are considered: the Flame Prolongation of Intrinsic low-dimensional manifold (FPI) method and Steady Laminar Flamelet Model (SLFM). The FPI method is of current interest as it is a potentially unifying approach capable of dealing with both premixed and non-premixed flames for gaseous fuels. SLFM tabulation methods are popular for non-premixed flames and form a good basis for comparing the performance of the FPI approach. The performance of each method is also evaluated by comparing the results to the direct simulation of the laminar flames using two chemical kinetic schemes: simplified chemistry involving five species and one reaction and detailed chemistry involving 53 species and 325 reaction steps. As part of the evaluation process, the computational cost of eac...

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TL;DR: This work presents statistically-based models to describe reactive behaviour in heterogeneous energetic materials using probability density functions (pdfs) and derived in a Lagrangian framework that can be incorporated in continuum-level shock physics analysis.

Abstract: This work presents statistically-based models to describe reactive behaviour in heterogeneous energetic materials. Mesoscale effects are incorporated in continuum-level reactive flow descriptions using probability density functions (pdfs) that are associated with thermodynamic and mechanical states. A generalised approach is presented that includes multimaterial behaviour by treating the volume fraction as a random kinematic variable. Model simplifications are then sought to reduce the complexity of the description without compromising the statistical approach. Reactive behaviour is first considered for non-deformable media having a random temperature field as an initial state. A pdf transport relationship is derived and an approximate moment approach is incorporated in finite element analysis to model an example application whereby a heated fragment impacts a reactive heterogeneous material which leads to a delayed cook-off event. Modelling is then extended to include deformation effects associated with ...

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TL;DR: In this paper, the steady state global chemistry calculations for 20 different flames were carried out using an axisymmetric Computational Fluid Dynamics (CFD) code and the results for 16 flames were compared with flame images obtained at the NASA Glenn Research Center.

Abstract: Steady-state global chemistry calculations for 20 different flames were carried out using an axisymmetric Computational Fluid Dynamics (CFD) code. Computational results for 16 flames were compared with flame images obtained at the NASA Glenn Research Center. The experimental flame data for these 16 flames were taken from Sunderland et al. [4] which included normal and inverse diffusion flames of ethane with varying oxidiser compositions (21, 30, 50, 100% O2 mole fraction in N2) stabilised on a 5.5 mm diameter burner. The test conditions of this reference resulted in highly convective inverse diffusion flames (Froude numbers of the order of 10) and buoyant normal diffusion flames (Froude numbers ∼0.1). Additionally, six flames were simulated to study the effect of oxygen enhancement on normal diffusion flames. The enhancement in oxygen resulted in increased flame temperatures and the presence of gravity led to increased gas velocities. The effect of gravity-variation and oxygen enhancement on flame shape a...

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TL;DR: In this paper, a mixing controlled direct chemistry (MCDC) combustion model with sub-grid scale mixing effects and chemical kinetics has been evaluated for Large Eddy Simulation (LES) of diesel engine combustion.

Abstract: A mixing controlled direct chemistry (MCDC) combustion model with sub-grid scale (SGS) mixing effects and chemical kinetics has been evaluated for Large Eddy Simulation (LES) of diesel engine combustion. The mixing effect is modelled by a mixing timescale based on mixture fraction variance and sub-grid scalar dissipation rate. The SGS scalar dissipation rate is modelled using a similarity term and a scaling factor from the analysis of Direct Numerical Simulation (DNS) data. The chemical reaction progress is estimated from a kinetic timescale based on local internal energy change rate and equilibrium state internal energy. An optical research engine operating at conventional operating conditions and Low Temperature Combustion (LTC) conditions was used for evaluation of the combustion model. From the simulation results, the effect of SGS scalar mixing is evaluated at different stages of combustion. In the context of LES, the new approach provides improved engine modelling results compared to the Direct Chem...

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TL;DR: In this paper, the authors present a numerical model including a detailed three-dimensional description of the fuel bed and the freeboard region within the same CFD code, which is fully coupled in terms of flow and heat transfer, and appropriate models for the treatment of turbulence, radiation, and global r...

Abstract: Due to the increase of computational power, it is nowadays common practice to use CFD calculations for various kinds of firing systems in order to understand the internal physical phenomena and to optimise the overall process. Within the last years, biomass combustion for energy purposes has gained rising popularity. On an industrial scale, mainly grate firing systems are used for this purpose. Generally, such systems consist of a dense-packed fuel bed on the grate and the freeboard region above, where in the field of numerical modelling, it is common practice to use different sub-models for both zones. To avoid this, the objective of this paper is the presentation of a numerical model including a detailed three-dimensional description of the fuel bed and the freeboard region within the same CFD code. Because of the implementation as an Eulerian multiphase model, both zones are fully coupled in terms of flow and heat transfer, and appropriate models for the treatment of turbulence, radiation, and global r...

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TL;DR: In this article, the authors theoretically and experimentally examined the effects of heat recirculation on flame propagation and structure in a mesoscale tube as the simplest model of heat-recirculating burners.

Abstract: Heat recirculation effects on flame propagation and flame structure are theoretically and experimentally examined in a mesoscale tube as the simplest model of heat-recirculating burners. Solutions for steady propagation are obtained using a one-dimensional two-temperature approximation. The results show that the low heat diffusivities of common solid materials permit significant heat recirculation through the wall only for a slowly-propagating condition, otherwise the flame behaves almost like a freely-propagating nonadiabatic flame. This limited heat recirculation sharply pinches and stretches two well-known branches of the freely-propagating nonadiabatic flame, resulting in the appearance of two slow-propagation branches. On the upper slow-propagation branch flames can reach superadiabatic temperatures and on the lower one, which is stretched from the classical unstable lower branch, flames can be stable. As the tube inner diameter decreases, another burning regime appears where flames are barely sustai...

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TL;DR: A novel tabulation strategy for the adaptive numerical integration of chemical kinetics using the computational singular perturbation (CSP) method, which stores and reuses CSP quantities required to filter out fast dissipative processes, resulting in a non-stiff chemical source term.

Abstract: This paper presents a novel tabulation strategy for the adaptive numerical integration of chemical kinetics using the computational singular perturbation (CSP) method The strategy stores and reuses CSP quantities required to filter out fast dissipative processes, resulting in a non-stiff chemical source term In particular, non-parametric regression on low-dimensional slow invariant manifolds (SIMs) in the chemical state space is used to approximate the CSP vectors spanning the fast chemical subspace and the associated fast chemical time-scales The relevant manifold and its dimension varies depending on the local number of exhausted modes at every location in the chemical state space Multiple manifolds are therefore tabulated, corresponding to different numbers of exhausted modes (dimensions) and associated radical species Non-parametric representations are inherently adaptive, and rely on efficient approximate-nearest-neighbor queries As the CSP information is only a function of the non-radical spec

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TL;DR: In this article, the suitability of the FSD model for turbulent premixed combustion was investigated, and the results showed that local flame thickness correspond very well to those observed in stretchless, steady premixed flamelets.

Abstract: In this paper it is investigated whether the Flame Surface Density (FSD) model, developed for turbulent premixed combustion, is also applicable to stratified flames. Direct Numerical Simulations (DNS) of turbulent stratified Bunsen flames have been carried out, using the Flamelet Generated Manifold (FGM) reduction method for reaction kinetics. Before examining the suitability of the FSD model, flame surfaces are characterized in terms of thickness, curvature and stratification. All flames are in the Thin Reaction Zones regime, and the maximum equivalence ratio range covers 0.1⩽φ⩽1.3. For all flames, local flame thicknesses correspond very well to those observed in stretchless, steady premixed flamelets. Extracted curvature radii and mixing length scales are significantly larger than the flame thickness, implying that the stratified flames all burn in a premixed mode. The remaining challenge is accounting for the large variation in (subfilter) mass burning rate. In this contribution, the FSD model is prove...

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TL;DR: In this paper, the authors focus on the numerical modeling of radiative heat transfer in laboratory-scale buoyant turbulent diffusion flames using the Full Spectrum Correlated-k (FSCK) method.

Abstract: This work focuses on the numerical modelling of radiative heat transfer in laboratory-scale buoyant turbulent diffusion flames. Spectral gas and soot radiation is modelled by using the Full-Spectrum Correlated-k (FSCK) method. Turbulence-Radiation Interactions (TRI) are taken into account by considering the Optically-Thin Fluctuation Approximation (OTFA), the resulting time-averaged Radiative Transfer Equation (RTE) being solved by the Finite Volume Method (FVM). Emission TRIs and the mean absorption coefficient are then closed by using a presumed probability density function (pdf) of the mixture fraction. The mean gas flow field is modelled by the Favre-averaged Navier–Stokes (FANS) equation set closed by a buoyancy-modified k-ϵ model with algebraic stress/flux models (ASM/AFM), the Steady Laminar Flamelet (SLF) model coupled with a presumed pdf approach to account for Turbulence-Chemistry Interactions, and an acetylene-based semi-empirical two-equation soot model. Two sets of experimental pool fire data...

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TL;DR: In this article, the combustion and emission production processes of a DISI (direct-injection spark-ignition) engine were modelled by combining flamelet models for premixed and diffusion flames.

Abstract: The combustion and emission production processes of a DISI (direct-injection spark-ignition) engine were modelled by combining flamelet models for premixed and diffusion flames. A new surrogate fuel was proposed to approximate the complicated composition of real gasoline. In contrast to simpler conventional models, the fuel was modelled as a ternary mixture of three hydrocarbons: iso-octane, n-heptane and toluene. Turbulent flame propagation in a partially premixed field was modelled by a premixed flamelet model. The mass fractions of the detailed composition of species in burnt gas were predicted by a diffusion flamelet model. For the pollutant formation modelling, a two-step oxidation of CO and H2 was used to simulate the secondary diffusion flame. The extended Zeldovich mechanism was used to model NOx formation, while a phenomenological model was used to model soot formation. This model was initially applied to a simple geometry to investigate the fundamentals of the model's behaviour, after which thre...

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TL;DR: In this article, both a comprehensive chemical mechanism and a reduced mechanism for a three-dimensional combustion simulation, describing the formation of polycyclic aromatic hydrocarbons (PAHs) in a direct-injection diesel engine, are presented.

Abstract: Here, we propose both a comprehensive chemical mechanism and a reduced mechanism for a three-dimensional combustion simulation, describing the formation of polycyclic aromatic hydrocarbons (PAHs), in a direct-injection diesel engine. A soot model based on the reduced mechanism and a method of moments is also presented. The turbulent diffusion flame and PAH formation in the diesel engine were modelled using the reduced mechanism based on the detailed mechanism using a fixed wall temperature as a boundary condition. The spatial distribution of PAH concentrations and the characteristic parameters for soot formation in the engine cylinder were obtained by coupling a detailed chemical kinetic model with the three-dimensional computational fluid dynamic (CFD) model. Comparison of the simulated results with limited experimental data shows that the chemical mechanisms and soot model are realistic and correctly describe the basic physics of diesel combustion but require further development to improve their accuracy.