Vortex-In-Cell and Probability Density Function Approach for a Passive Scalar Field in a Mixing Layer

A Reynolds-averaged simulation based on the vortex-in-cell (VIC) and the transport equation for the probability density function (PDF) of a scalar has been developed to predict the passive scalar field in a two-dimensional spatially growing mixing layer. The VIC computes the instantaneous velocity and vorticity fields. Then the mean-flow properties, i.e. the mean velocity, the root-mean-square (rms) longitudinal and lateral velocity fluctuations, the Reynolds shear stress, and the rms vorticity fluctuations are computed and used as input to the PDF equation. The PDF transport equation is solved using the Monte Carlo technique. The convection term uses the mean velocities from the VIC. The turbulent diffusion term is modeled using the gradient transport model, in which the eddy diffusivity, computed via the Boussinesq's postulate, uses the Reynolds shear stress and gradients of mean velocities from the VIC. The molecular mixing term is closed by the modified Curl model.

The computational results were compared with two-dimensional experimental results for passive scalar. The predicted turbulent flow characteristics, i.e. mean velocity and rms longitudinal fluctuations in the self-preserving region, show good agreement with the experimental measurements. The profiles of the mean scalar and the rms scalar fluctuations are also in reasonable agreement with the experimental measurements. Comparison between the mean scalar and the mean velocity profiles shows that the scalar mixing region extends further into the free stream than does the momentum mixing region, indicating enhanced transport of scalar over momentum. The rms scalar profiles exhibit an asymmetry relative to the concentration centerline, and indicate that the fluid on the high-speed side mixes at a faster rate than the fluid on the low-speed side. The asymmetry is due to the asymmetry in the mixing frequency cross-stream profiles. Also, the PDFs have peaks biased toward the high-speed side.     

Analysis of Mixing Models for use in Simulations of Turbulent Spray Combustion

The present study concerns the investigation of different mixing models for use in the transported probability density function (PDF) modeling of turbulent (reacting) spray flows. The modeling of the turbulent mixing and other characteristic scalar variables such as gas enthalpy using transported (joint) PDFs has become an important method to describe turbulent (reacting) spray flows since the evaporation process causes the PDF of the mixture fraction to deviate from the widely used β function, which is typically used in models for turbulent gas flows. In the PDF transport equation, the molecular mixing does not appear in closed form so that modeling strategies are required. For gas combustion, the interaction-by-exchange-with-the-mean (IEM) model, the modified Curl (MC) model, and the Euclidean minimum spanning tree (EMST) models are used. More recently, a new mixing model, the PSP model, which is based on parameterized scalar profiles has been developed. The present study focuses on the use and analysis of the IEM, MC and PSP models for turbulent spray flames. For this purpose, the models are reconsidered with respect to the evaporation process that must be included and evaluated if spray combustion is considered. For model evaluation, turbulent ethanol/air spray flames are simulated, and the results are compared to experimental data by A. Masri, University of Sydney, Australia.     

Scalar transport in plane mixing layers

This paper describes the application of the Eulerian, single-point, single-time joint-scalar probability density function (PDF) equation for predicting the scalar transport in mixing layer with a high-speed and a low-speed stream. A finite-volume procedure is applied to obtain the velocity field with the k-ε closure being used to describe turbulent transport. The scalar field is represented through the modelled evolution equation for the scalar PDF and is solved using a Monte Carlo simulation. The PDF equation employs gradient transport modelling to represent the turbulent diffusion, and the molecular mixing term is modelled by the LMSE closure. There is no source term for chemical reaction as only an inert mixing layer is considered here. The experimental shear layer data published by Batt is used to validate the computational results despite the fact that comparisons between experiments and computational results are difficult because of the high sensitivity of the shear layer to initial conditions and free stream turbulence phenomena. However, the bimodal shape of the RMS scalar fluctuation as was measured by Batt can be reproduced with this model, whereas standard gradient diffusion calculations do not predict the dip in this profile. In this work for the first time an explanation is given for this phenomenon and the importance of a micromixing model is stressed. Also it is shown that the prediction of the PDF shape by the LMSE model is very satisfactory. Received on 27 October 1998     

Direct numerical simulation of turbulent mixing of a passive scalar in pipe flow

Turbulent mixing of a passive scalar in fully developed turbulent pipe flow has been investigated by means of a Direct Numerical Simulation (DNS). The scalar is released from a point source located on the centreline of the pipe. The domain size of the concentration field has been chosen large enough to capture the different stages of turbulent mixing. Results are presented for mean concentration profiles, turbulent fluxes, concentration fluctuations, probability density functions and higher-order moments. To validate the numerical simulations the results are compared with experimental data on mixing in grid-turbulence that have been reported in the literature. The agreement between the experimental measurements and the computations is satisfactory. We have also considered the Probability Density Function (PDF). For small diffusion times and positions not on the plume centreline, our results lead to a PDF of an exponential form with a large peak at zero concentration. When the diffusion time increases, the PDF shifts from a exponential to a more Gaussian form.     

A Comprehensive Study of Effects of Mixing and Chemical Kinetic Models on Predictions of n-heptane Jet Ignitions with the PDF Method

The composition Probability Density Function (PDF) model is coupled with a Reynolds-averaged k???ε turbulence model and three computationally efficient, yet widely used chemical mechanisms to simulate transient n-heptane spray injection and ignition in a high temperature and high density ambient fluid. Molecular diffusion is modelled by three mixing models, namely the interaction by exchange with the mean (IEM), modified Curl (MC) and Euclidean minimum spanning trees (EMST) models. The liquid phase is modelled by a discrete phase model (DPM). This represents among the first applications of the PDF method in practical diesel engine conditions. A non-reacting case is first considered, with the focus on the ability of the model to capture the spray structure, e.g., vapour penetration and liquid length, fuel mixture fraction and its variance. Reacting cases are then investigated to compare and evaluate the three different chemical mechanisms and the three mixing models. It is concluded that the EMST mixing model in conjunction with a reduced chemical kinetic model (Lu et al., Combust Flame 156(8):1542–1551, 2009) performs the best among the options considered. The sensitivity of the results to the choice of the mixing constant is also studied to understand its effect on the flame ignition and stabilisation. Finally, the PDF model is compared to a well-mixed model that assumes turbulent fluctuations are negligible, which has been widely used in the diesel spray combustion community. Significant structural differences in the modelled flame are revealed comparing the PDF method with the well-mixed model. Quantitatively, the PDF model exhibits excellent agreement with the measurements and shows much better results than the well-mixed model in all ambient O₂ and temperature conditions.     

Joint PDF Closure of Turbulent Premixed Flames

In this paper, a novel model for turbulent premixed combustion in the corrugated flamelet regime is presented, which is based on transporting a joint probability density function (PDF) of velocity, turbulence frequency and a scalar vector. Due to the high dimensionality of the corresponding sample space, the PDF equation is solved with a Monte-Carlo method, where individual fluid elements are represented by computational particles. Unlike in most other PDF methods, the source term not only describes reaction rates, but accounts for “ignition” of reactive unburnt fluid elements due to propagating embedded quasi laminar flames within a turbulent flame brush. Unperturbed embedded flame structures and a constant laminar flame speed (as expected in the corrugated flamelet regime) are assumed. The probability for an individual particle to “ignite” during a time step is calculated based on an estimate of the mean flame surface density (FSD), latter gets transported by the PDF method. Whereas this model concept has recently been published [21], here, a new model to account for local production and dissipation of the FSD is proposed. The following particle properties are introduced: a flag indicating whether a particle represents the unburnt mixture; a flame residence time, which allows to resolve the embedded quasi laminar flame structure; and a flag indicating whether the flame residence time lies within a specified range. Latter is used to transport the FSD, but to account for flame stretching, curvature effects, collapse and cusp formation, a mixing model for the residence time is employed. The same mixing model also accounts for molecular mixing of the products with a co-flow. To validate the proposed PDF model, simulation results of three piloted methane-air Bunsen flames are compared with experimental data and very good agreement is observed.     

Elastic waves in a turbulent fluid

It is shown that a turbulent flow can support elastic waves for which the fluctuating stress is essentially proportional to the strain field. These fluctuations are described by a hyperbolic system and hence they do not decay away from a solid boundary. Their behaviour is also consistent with Taylor's frozen field hypothesis that turbulent fluctuations are advected with the local mean flow speed.     

Evaluations of SGS Combustion,Scalar Flux and Stress Models in a Turbulent Jet Premixed Flame

A newly developed fractal dynamic SGS (FDSGS) combustion model and a scale self-recognition mixed (SSRM) SGS stress model are evaluated along with other SGS combustion, scalar flux and stress models in a priori and a posteriori manners using DNS data of a hydrogen-air turbulent plane jet premixed flame. A posteriori tests reveal that the LES using the FDSGS combustion model can predict the combustion field well in terms of mean temperature distributions and peak positions in the transverse distributions of filtered reaction progress variable fluctuations. A priori and a posteriori tests of the scalar flux models show that a model proposed by Clark et al. accurately predicts the counter-gradient transport as well as the gradient diffusion, and introduction of the model of Clark et al. into the LES yields slightly better predictions of the filtered progress variable fluctuations than that of a gradient diffusion model. Evaluations of the stress models reveal that the LES with the SSRM model predicts the velocity fluctuations well compared to that with the Smagorinsky model.     

Joint Scalar versus Joint Velocity-Scalar PDF Simulations of Bluff-Body Stabilized Flames with REDIM

Two transported PDF strategies, joint velocity-scalar PDF (JVSPDF) and joint scalar PDF (JSPDF), are investigated for bluff-body stabilized jet-type turbulent diffusion flames with a variable degree of turbulence–chemistry interaction. Chemistry is modeled by means of the novel reaction-diffusion manifold (REDIM) technique. A detailed chemistry mechanism is reduced, including diffusion effects, with N ₂ and CO ₂ mass fractions as reduced coordinates. The second-moment closure RANS turbulence model and the modified Curl’s micro-mixing model are not varied. Radiative heat loss effects are ignored. The results for mean velocity and velocity fluctuations in physical space are very similar for both PDF methods. They agree well with experimental data up to the neck zone. Each of the two PDF approaches implies a different closure for the velocity-scalar correlation. This leads to differences in the radial profiles in physical space of mean scalars and mixture fraction variance, due to different scalar flux modeling. Differences are visible in mean mixture fraction and mean temperature, as well as in mixture fraction variance. In principle, the JVSPDF simulations can be closer to physical reality, as a differential model is implied for the scalar fluxes, whereas the gradient diffusion hypothesis is implied in JSPDF simulations. Yet, in JSPDF simulations, turbulent diffusion can be tuned by means of the turbulent Schmidt number. In the neck zone, where the turbulent flow field results deteriorate, the joint scalar PDF results are in somewhat better agreement with experimental data, for the test cases considered. In composition space, where results are reported as scatter plots, differences between the two PDF strategies are small in the calculations at hand, with a little more local extinction in the joint scalar PDF results.     

A Field Monte Carlo Formulation for Calculating the Probability Density Function of a Single Scalar in a Turbulent Flow

The probability density function (PDF) formulation of one scalar field undergoing diffusion, turbulent convection and chemical reaction is restated in terms of stochastic fields. These fields are smooth in space as they have a length scale similar to that of the PDF. Their evolution is described by a set of stochastic partial differential equations, which are solved using a finite volume scheme with a stochastic source term. The application of this methodology to a particular flow is shown first for a linear source term, with exact analytical solution for the mean and standard deviation, and then for a nonlinear reaction.     

Modeling of Turbulent Natural Gas and Biogas Flames of the Delft Jet-in-Hot-Coflow Burner: Effects of Coflow Temperature,Fuel Temperature and Fuel Composition on the Flame Lift-Off Height

The structure of a turbulent non-premixed flame of a biogas fuel in a hot and diluted coflow mimicking moderate and intense low dilution (MILD) combustion is studied numerically. Biogas fuel is obtained by dilution of Dutch natural gas (DNG) with CO₂. The results of biogas combustion are compared with those of DNG combustion in the Delft Jet-in-Hot-Coflow (DJHC) burner. New experimental measurements of lift-off height and of velocity and temperature statistics have been made to provide a database for evaluating the capability of numerical methods in predicting the flame structure. Compared to the lift-off height of the DNG flame, addition of 30 % carbon dioxide to the fuel increases the lift-off height by less than 15 %. Numerical simulations are conducted by solving the RANS equations using Reynolds stress model (RSM) as turbulence model in combination with EDC (Eddy Dissipation Concept) and transported probability density function (PDF) as turbulence-chemistry interaction models. The DRM19 reduced mechanism is used as chemical kinetics with the EDC model. A tabulated chemistry model based on the Flamelet Generated Manifold (FGM) is adopted in the PDF method. The table describes a non-adiabatic three stream mixing problem between fuel, coflow and ambient air based on igniting counterflow diffusion flamelets. The results show that the EDC/DRM19 and PDF/FGM models predict the experimentally observed decreasing trend of lift-off height with increase of the coflow temperature. Although more detailed chemistry is used with EDC, the temperature fluctuations at the coflow inlet (approximately 100K) cannot be included resulting in a significant overprediction of the flame temperature. Only the PDF modeling results with temperature fluctuations predict the correct mean temperature profiles of the biogas case and compare well with the experimental temperature distributions.     

Turbulent Scalar Mixing in a Skewed Jet in Crossflow: Experiments and Modeling

Turbulent mixing of an inclined, skewed jet injected into a crossflow is investigated using MRI-based experiments and a high-fidelity LES of the same configuration. The MRI technique provides three-dimensional fields of mean velocity and mean jet concentration. The 30° skew of the jet relative to the crossflow produces a single dominant vortex which introduces spanwise asymmetries to the velocity and concentration fields. The turbulent scalar transport of the skewed jet is investigated in further detail using the LES, which is validated against the experimental measurements. Mixing is found to be highly anisotropic throughout the jet region. Isotropic turbulent diffusivity and viscosity are used to calculate an optimal value of the turbulent Schmidt number, which varies widely over the jet region and lies mostly outside of the typically accepted range 0.7 ≤ S c _t ≤ 0.9. Finally, three common scalar flux models of increasing complexity are evaluated based on their ability to capture the anisotropy and predict the scalar concentration field of the present configuration. The higher order models are shown to better represent the turbulent scalar flux vector, leading to more accurate calculations of the concentration field. While more complex models are better able to capture the turbulent mixing, optimization of model constants is shown to significantly affect the results.     

The low Reynolds number turbulent flow and mixing in a confined impinging jet reactor

Turbulent mixing takes an important role in chemical engineering, especially when the chemical reaction is fast compared to the mixing time. In this context a detailed knowledge of the flow field, the distribution of turbulent kinetic energy (TKE) and its dissipation rate is important, as these quantities are used for many mixing models. For this reason we conduct a direct numerical simulation (DNS) of a confined impinging jet reactor (CIJR) at Re = 500 and Sc = 1. The data is compared with particle image velocimetry (PIV) measurements and the basic flow features match between simulation and experiment. The DNS data is analysed and it is shown that the flow is dominated by a stable vortex in the main mixing duct. High intensities of turbulent kinetic energy and dissipation are found in the impingement zone which decrease rapidly towards the exit of the CIJR. In the whole CIJR the turbulence is not in equilibrium. The strong mixing in the impingement zone leads to a rapid development of a monomodal PDF. Due to the special properties of the flow field, a bimodal PDF is generated in cross-sections downstream the impingement zone, that slowly relaxes under relaminarising conditions. The time required for meso-mixing is dominating the overall mixing performance.     

Presumed Mapping Functions for Eulerian Modelling of Turbulent Mixing

The mapping closure of Chen et al. [Phys. Rev. Lett., 63, 1989] is a transported probability density function (PDF) method that has proven very efficient for modelling of turbulent mixing in homogeneous turbulence. By utilizing a Gaussian reference field, the solution to the mapping function (in homogeneous turbulence) can be found analytically for a range of initial conditions common for turbulent combustion applications, e.g. for binary or trinary mixing. The purpose of this paper is to investigate the possibility of making this solution a presumed mapping function (PMF) for inhomogeneous flows. The PMF in turn will imply a presumed mixture fraction PDF that can be used for a wide range of models in turbulent combustion, e.g. flamelet models, the conditional moment closure (CMC) or large eddy simulations. The true novelty of the paper, though, is in the derivation of highly efficient, closed algebraic expressions for several existing models of conditional statistics, e.g. for the conditional scalar dissipation/diffusion rate or the conditional mean velocity. The closed form expressions nearly eliminates the overhead computational cost that usually is associated with nonlinear models for conditional statistics. In this respect it is argued that the PMF is particularly well suited for CMC that relies heavily on manipulations of the PDF for consistency. The accuracy of the PMF approach is shown with comparison to DNS of a single scalar mixing layer to be better than for the β-PDF. Not only in the shape of the PDF itself, but also for all conditional statistics models computed from the PDF.     

Influence of transport processes on steady regimes of a chemical flow reactor with reaction of the type a → b,a+b→2c

An approximate analytic solution is obtained to the problem of the concentration distribution in a one-dimensional chemical flow reactor for a reaction of the type A B, A + B 2C in the approximation of a weak reaction. The method of small perturbations up to terms of third order is used. A study is made of the influence of the intensity of longitudinal mixing on the degree of transformation, the selectivity, and the yield. It is found that the optimal level of longitudinal mixing in the weak reaction approxmation is determined by a dimensionless parameter that is a combination of the dimensionless rates of the chemical reactions. The dependence of the optimal Péclet number on this parameter is found. Characteristic regions are determined on the plane of the determining parameters in which the interaction of the physical and chemical processes in the reactor leads to different results, which must be taken into account when choosing the type and the parameters of a chemical reactor.Translated from Izvestiya Akademii Nauk SSSR, Mekhanika Zhidkosti i Gaza, No. 6, pp. 106–113, November–December, 1982.     

Flow and Mixing Fields for Transported Scalar PDF Simulations of a Piloted Jet Diffusion Flame (‘Delft Flame III’)

Numerical simulation results are presented for ‘Delft Flame III’, a piloted jet diffusion flame with strong turbulence–chemistry interaction. While pilot flames emerge from 12 separate holes in the experiments, the simulations are performed on a rectangular grid, under the assumption of axisymmetry. In the first part of the paper, flow and mixing field results are presented with a non-linear first order k–ε model, with the transport equation for ε based on a modeled enstrophy transport equation, for cold and reactive flows. For the latter, the turbulence model is applied in combination with pre-assumed β-PDF modeling for the turbulence–chemistry interaction. The mixture fraction serves as conserved scalar. Two chemistry models are considered: chemical equilibrium and a steady laminar flamelet model. The importance of the turbulence model is highlighted. The influence of the chemistry model is noticeable too. A procedure is described to construct appropriate inlet boundary conditions. Still, the generation of accurate inlet boundary conditions is shown to be far less important, their effect being local, close to the nozzle exit. In the second part of the paper, results are presented with the transported scalar PDF approach as turbulence–chemistry interaction model. A C₁ skeletal scheme serves as chemistry model, while the EMST method is applied as micro-mixing model. For the transported PDF simulations, the model for the pilot flames, as an energy source term in the mean enthalpy transport equation, is important with respect to the accuracy of the flow field predictions. It is explained that the strong influence on the flow and mixing field is through the turbulent shear stress force in the region, close to the nozzle exit.     

Incompressible flows with combustion simulated by a preconditioning method using multigrid acceleration and MUSCL reconstruction

A numerical algorithm for the steady state solution of three‐dimensional incompressible flows is presented. A preconditioned time marching scheme is applied to the conservative form of the governing equations. The preconditioning matrix multiplies the time derivatives of the system and circumvents the eigenvalue‐caused stiffness at low speed. The formulation is suitable for constant density flows and for flows where the density depends on non‐passive scalars, such as in low‐speed combustion applications. The k–ε model accounts for turbulent transport effects. A cell‐centred finite volume formulation with a Runge–Kutta time stepping scheme for the primitive variables is used. Second‐order spatial accuracy is achieved by developing for the preconditioned system an approximate Riemann solver with MUSCL reconstruction. A multi‐grid technique coupled with local time stepping and implicit residual smoothing is used to accelerate the convergence to the steady state solution. The convergence behaviour and the validation of the predicted solutions are examined for laminar and turbulent constant density flows and for a turbulent non‐premixed flame simulated by a presumed probability density function (PDF) model. Copyright © 2001 John Wiley & Sons, Ltd.     

Spectral transport model for turbulence

The spectrum of inhomogeneous turbulence is modeled by an approach that is not limited to regimes of large Reynolds numbers or small mean-flow strain rates. In its simplest form and applied to incompressible flow, the model depends on five phenomenological constants defining the strength of turbulence coupling to mean flow, turbulence transport in physical and wave-number space, and mixing of stress-tensor components. The implications for homogeneous isotropic turbulence are investigated in detail and found to correspond well to the conclusions from more fundamental theories. Under appropriate limiting conditions, a turbulent system described by the model will relax over time into a state of approximate spectral equilibrium permitting a reduction to a one-point model for the system that is substantially like the familiar K- model. This yields preliminary estimates of the present model's parameters and points to the way to improved modeling of flows beyond the applicability of the K- method.     

条件矩模型模拟湍流扩散燃烧

对条件矩模型模拟湍流扩散燃烧进行了初步的研究.在条件矩模型中,标量的统计是以混合分数为条件的,条件平均使得非线性化学反应源项可以在一阶条件下被封闭.模拟结果和美国Sandia国家实验室的实验结果对比表明:对温度、主要组分浓度的预报结果是令人满意的,NO浓度的预报在趋势上也符合实验结果.误差分析表明,提高标量耗散率的预报精度和二阶条件矩模型都将有助于推动条件矩模型的发展.