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.     

Large eddy simulation (2D) of spatially developing mixing layer using vortex‐in‐cell for flow field and filtered probability density function for scalar field

A large eddy simulation based on filtered vorticity transport equation has been coupled with filtered probability density function transport equation for scalar field, to predict the velocity and passive scalar fields. The filtered vorticity transport has been formulated using diffusion‐velocity method and then solved using the vortex method. The methodology has been tested on a spatially growing mixing layer using the two‐dimensional vortex‐in‐cell method in conjunction with both Smagorinsky and dynamic eddy viscosity subgrid scale models for an anisotropic flow. The transport equation for filtered probability density function is solved using the Lagrangian Monte‐Carlo method. The unresolved subgrid scale convective term in filtered density function transport is modelled using the gradient diffusion model. The unresolved subgrid scale mixing term is modelled using the modified Curl model. The effects of subgrid scale models on the vorticity contours, mean streamwise velocity profiles, root‐mean‐square velocity and vorticity fluctuations profiles and negative cross‐stream correlations are discussed. Also the characteristics of the passive scalar, i.e. mean concentration profiles, root‐mean‐square concentration fluctuations profiles and filtered probability density function are presented and compared with previous experimental and numerical works. The sensitivity of the results to the Schmidt number, constant in mixing frequency and inflow boundary conditions are discussed. Copyright © 2005 John Wiley & Sons, Ltd.     

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.     

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.     

Analysis of small-scale scalar mixing processes in highly under-expanded jets

In the present study, we numerically investigate turbulent scalar mixing taking place downstream of highly under-expanded jets. The focus is placed on two inter-related issues: (i) the closure of the mean scalar dissipation rate (SDR) and (ii) the turbulence–scalar interaction (TSI) term. It is indeed commonly admitted that the former, i.e., the SDR, which is defined as the product of the scalar diffusivity with the squared scalar gradient, provides a good measure of the mixing efficiency. In turbulent flows, the mean (turbulent) SDR requires a specific closure to be settled. It is generally obtained within the approximation of a linear relaxation of scalar fluctuations or linear relaxation model. We will first evaluate herein the performance of this widely used closure. The analysis is further developed by means of the consideration of the mean SDR transport equation which shows that, in gaseous conditions, the SDR is mainly driven by two terms: (i) a dissipation contribution and (ii) the third-order correlation between the velocity gradient tensor and small-scale scalar anisotropy tensor. The scalar mixing efficiency thus appears to be controlled by the latter quantity, which is often denoted as the TSI term. It can be shown that only the symmetric part (rate of strain) of the velocity gradient tensor contributes to this term; the anti-symmetric part modifies, indeed, the orientation of the scalar gradient but not its magnitude. The classical approach is to analyze this contribution in the eigenframe of the rate of strain tensor. Such analyses show that, in homogeneous isotropic turbulence, the scalar gradient tends to align with the most compressive direction, thus leading to SDR production. However, the present conditions, which are far from homogeneity and involve strong density variations, may modify this classical picture. The present study analyzes this possible influence.     

Analysis and Modeling of the Turbulent Diffusion of Turbulent Kinetic Energy in Natural Convection

Buoyant flows often contain regions with unstable and stable thermal stratification from which counter gradient turbulent fluxes are resulting, e.g. fluxes of heat or of any turbulence quantity. Basing on investigations in meteorology an improvement in the standard gradient-diffusion model for turbulent diffusion of turbulent kinetic energy is discussed. The two closure terms of the turbulent diffusion, the velocity-fluctuation triple correlation and the velocity-pressure fluctuation correlation, are investigated based on Direct Numerical Simulation (DNS) data for an internally heated fluid layer and for Rayleigh–Bénard convection. As a result it is decided to extend the standard gradient-diffusion model for the turbulent energy diffusion by modeling its closure terms separately. Coupling of two models leads to an extended RANS model for the turbulent energy diffusion. The involved closure term, the turbulent diffusion of heat flux, is studied based on its transport equation. This results in a buoyancy-extended version of the Daly and Harlow model. The models for all closure terms and for the turbulent energy diffusion are validated with the help of DNS data for internally heated fluid layers with Prandtl number Pr = 7 and for Rayleigh–Bénard convection with Pr = 0.71. It is found that the buoyancy-extended diffusion model which involves also a transport equation for the variance of the vertical velocity fluctuation gives improved turbulent energy diffusion data for the combined case with local stable and unstable stratification and that it allows for the required counter gradient energy flux.     

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.     

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.     

稳定分层流动中湍流特性的研究综述

本文总结了近60 年来分层流动中湍流特性研究的成果. 主要从两个方面进行了综述:(1) 分层流动中湍流场的演变和混合. 在这方面主要分析稳定分层对湍流混合和湍流结构的影响, 以及混合层内湍流结构的特性和混合层的演化规律. (2) 分层流动中湍流的扩散和输运. 动量和标量的逆梯度输运特性是分层湍流研究的一个重要方向;分析分层对湍流扩散的影响. 并指出了一些值得今后进一步研究的方向.     

Use of a Monte Carlo PDF method in a study of the influence of turbulent fluctuations on selectivity in a jet-stirred reactor

A model for single-phase turbulent reacting flow is presented and a solution algorithm is described. The model combines the standardk - model for the velocity field with a transport equation for the probability density function (PDF) of the thermochemical variables. In this equation terms describing spatial transport by velocity fluctuations and mixing on the smallest scales are modelled. The essential advantage of this approach is that the effect of nonlinear kinetics appears in closed form and that the influence of turbulent fluctuations on mean reaction rates is included. A stochastic algorithm for the solution of the PDF transport equation, essentially due to Pope, is described. Cylindrical symmetry is assumed. The PDF is represented by ensembles ofN representative values of the thermochemical variables in each cell of a nonuniform finite-difference grid and operations on these elements representing convection, diffusion, mixing and reaction are derived. A simplified model and solution algorithm which neglects the influence of turbulent fluctuations on mean reaction rates is also described. Both algorithms are applied to a selectivity problem in a real reactor studied earlier by Liu and Barkelew. Spatial profiles of mean species mole fractions and of relative selectivity to the target product are obtained. The profiles are clearly different in both models but at the end of the reactor the same selectivity is predicted.Presented at the Shell Conference on Computational Fluid Dynamics for Petrochemical Process Equipment, Hoenderloo, December 10–12, 1989.     

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.     

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.     

On the extension of gradient-type transport to turbulent diffusion in inhomogeneous flows

A model equation for the mean concentration of a passive scalar quantity in inhomogeneous turbulence is used to derive an expression for the turbulent transport in the case of large diffusion times. The expression obtained consists of three terms: a gradient-type transport term, a convective term, and a term proportional to the material derivative of the mean concentration. The theory is in agreement with observed concentration distributions in a wall layer.     

Analysis of the Combined Modelling of Sub-grid Transport and Filtered Flame Propagation for Premixed Turbulent Combustion

Flame surface density (FSD) based reaction rate closure is an important methodology of turbulent premixed flame modelling in the context of Large Eddy Simulations (LES). The transport equation for the Favre-filtered reaction progress variable needs closure of the filtered reaction diffusion imbalance (FRDI) term (i.e. filtered value of combined reaction rate and molecular diffusion rate) and the sub-grid scalar flux (SGSF). A-priori analysis of the FRDI and SGSF terms has in the past revealed advantages and disadvantages of the specific modelling attempts. However, it is important to understand the interaction of the FRDI and SGSF closures for a successful implementation of the FSD based closure. Furthermore, it is not known a-priori if the combination of the best SGSF model with the best FRDI model results in the most suitable overall modelling strategy. In order to address this question, a variety of SGSF models is analysed in this work together with one well established and one recent FRDI closure based on a-priori analysis. It is found that the success of the combined FRDI and SGSF closures depends on subtle details like the co-variances of the FRDI and SGSF terms. It is demonstrated that the gradient hypothesis model is not very successful in representing the SGSF term. However the gradient hypothesis provides satisfactory performance in combination of a recently proposed FRDI closure, whereas unsatisfactory results are obtained when used in combination with another existing closure, which was shown to predict the FRDI term satisfactorily in several previous analyses.     

Reynolds stress closure applied to axisymmetric,impinging turbulent jets

A second-order, single-point closure model for calculating the transport of momentum in turbulent flows is extended to cover flows that are close to solid surfaces. In such flows the proximity of a solid boundary directly influences the fluctuating pressure field within the main body of the flow and leads to a dampening of velocity fluctuations normal to the wall. These effects are accommodated through the incorporation of an additional contribution in the modelled form of the redistributive fluctuating pressure term used in the Reynolds stress transport equation. Predictions of the extended closure model are compared with available data in configurations where an air jet impinges orthogonally onto a plane surface. The inclusion of the wall reflection model is shown to result in superior predictions of mean velocities, and normal and shear stresses. In particular, normal-to-wall velocity fluctuations and shear stresses are successfully damped resulting in agreement with observations.     

A Generalised Multiple Mapping Conditioning Approach for Turbulent Combustion

This paper follows the evolution in understanding of the multiple mapping conditioning (MMC) approach for turbulent combustion and reviews different implementations of MMC models. As the MMC name suggests, the original version represents a consistent combination of CMC-type conditional equations (conditional moment closure) and generalised mapping closure. It seems that the strength of the MMC model, and especially that of its stochastic version, lies in a more general (and much more transparent) interpretation. In this new generalised interpretation, we can replace complicated derivations by physical reasoning and the model appears to be a natural extension of modelling approaches developed in recent decades. MMC can be seen as a methodology for enforcing certain known characteristics of turbulence on a conventional mixing model. This is achieved by localising the mixing operation in a reference space. The reference space variables are selected to emulate the properties of a turbulent flow which have a strong effect on reactive quantities. The best and simplest example is an MMC model which has a single reference variable emulating the mixture fraction. In diffusion flames turbulent fluctuations of reacting quantities are strongly correlated with fluctuations of the mixture fraction. By making mixing local in the reference mixture fraction space a CMC-type mixing closure is enforced. In the original interpretation of MMC the reference variables are modelled as Markov processes. Since the reference variables should emulate properties of turbulent flows as realistically as possible the next step, and the basis of generalised MMC, is to remove the Markovian restriction and set reference variables equal to traced Lagrangian quantities within DNS or LES flow fields. Indeed, no Markov value can emulate the mixture fraction better than the mixture fraction itself. (Using a Markov vector process of dimension higher than the number of conditioning variables represents a more economical alternative for producing reference variables in generalised MMC.) The generalised MMC approach effectively incorporates the mixture fraction-based models, the PDF methods and LES/DNS techniques into a single methodology with possibility of blending useful features developed previously for conventional models. The generalised approach to MMC stimulates a more flexible understanding of simulations using sparsely placed Lagrangian particles as tools that may provide accurate joint distributions of reactive scalars at relatively low computational cost. The physical reasoning behind the new interpretation of MMC is supported by example computations for a partially premixed methane/air diffusion flame (Sandia Flame D). The scheme utilises LES for the dynamic field and a sparse-Lagrangian filtered density function method with MMC mixing for the scalar field. Two different particle mixing schemes are tested. Simulations are performed using only 35,000 Lagrangian particles (of these only 10,000 are chemically active) on a single workstation. The relatively low computational cost allows the use of realistic chemical kinetics containing 34 reactive species and 219 reactions. Intended for publication in the special issue of Flow, Turbulence and Combustion arising from the 2nd ECCOMAS Thematic Conference on Computational Combustion held at Delft in mid-2007.     

Molecular transfer in turbulent flows

For modeling the molecular transfer of a passive scalar in a known turbulent field, the equations for the average scalar value and the correlation function for the scalar field are written in a form which makes it possible to examine the effect of molecular transfer on turbulent transfer and scalar dissipation. For the closure of the equation for the correlation function, the Prandtl hypothesis is used. The statistical reliability of this closure is demonstrated. The system proposed makes it possible to predict the dynamics of a decaying uniform scalar field and to explain why the effect of the real value of the molecular-transfer coefficient on the decaying scalar field is weak. Specific features of the transport process in a plane layer with prescribed scalar values on the layer boundaries are considered.     

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 structure-based model for transport in stably stratified homogeneous turbulent flows

We present an extension that allows a recently proposed structure-based model for turbulent scalar transport to account for buoyancy effects. The proposed model is based on a generalization of the Interactive Particle Representation Model (IPRM) and is accompanied by a four-equation transport model that provides the turbulence scales needed for the closure of the complete structure-based model (SBM). The structure tensors and their invariants are used to model the additional buoyancy terms that emerge in the four-equation transport equations. Model parameters are set by matching the asymptotic decay exponents in decaying turbulence. The validity of the model is considered for a large number of different types of stably stratified flows at different Richardson numbers (Ri), showing encouraging results. The complete structure-based model achieves fair agreement with LES and DNS predictions for vertical shear in the presence of vertical mean stratification, while the structure tensors are shown to be suitable for use as diagnostic tools for the morphology of highly anisotropic turbulent structures. Additionally, the proposed model is shown to be sensitive to the variation of the inclination angle θ between the direction of the mean velocity gradient and the orientation of the mean scalar gradient. Furthermore, the model correctly predicts that the evolution of the inverse shear parameter is insensitive to the choice of inclination angle, yielding a turbulent Prandtl number close to unity, in accordance with DNS results.