DNS of Mixing and Reaction of Two Species in a Turbulent Channel Flow: A Validation of the Conditional Moment Closure

We consider the chemical reaction in a turbulent flow for the case that the time scale of turbulence and the time scale of the reaction are comparable. This process is complicated by the fact that the reaction takes place intermittently at those locations where the species are adequately mixed. This is known as spatial segregation. Several turbulence models have been proposed to take the effect of spatial segregation into account. Examples are the probability density function (PDF) and the conditional moment closure (CMC) models. The main advantage of these models is that they are able to parameterize the effects of turbulent mixing on the chemical reaction rate. As a price several new unknown terms appear in these models for which closure hypothesis must be supplied. Examples are the conditional dissipation 〈 χ ∣ φ 〉, the conditional diffusion 〈 κ ∇² φ ∣ u, φ 〉 and the conditional velocity 〈 u ∣ φ 〉. In the present study we investigate these unknown terms that appear in the PDF and CMC model by means of a direct numerical simulation (DNS) of a fully developed turbulent flow in a channel geometry. We present the results of two simulations in which a scalar is released from a continuous line source. In the first we consider turbulent mixing without chemical reaction and in the second we add a binary reaction. The results of our simulations agree very well with experimental data for the quantities on which information is available. Several closure hypotheses that have been proposed in the literature, are considered and validated with help of our simulation results. This revised version was published online in July 2006 with corrections to the Cover Date.     

Turbulent flow simulation of liquid jet emanating from pressure-swirl atomizer

The performances of three linear eddy viscosity models (LEVM) and one algebraic Reynolds stress model (ARSM) for the simulation of turbulent flow inside and outside pressure-swirl atomizer are evaluated by comparing the interface position with available experimental data and by comparing the turbulence intensity profiles at the atomizer exit. It is found that the turbulence models investigated exhibit zonal behaviors, i.e. none of the models investigated performs well throughout the entire flow field. The turbulence intensity has a significant influence on the global characteristics of the flow field. The turbulence models with better predictions of the turbulence intensity, such as Gatski-Speziale’s ARSM model, can yield better predictions of the global characteristics of the flow field, e.g. the reattachment lengths for the backward-facing step flow and the sudden expansion pipe flow, or the discharge coefficient, film thickness and the liquid sheet outer surface position for the atomizer flows. The standard k–ε model predicts stronger turbulence intensity as compared to the other models and therefore yields smaller film thickness and larger liquid sheet outer surface position. In average, the ARSM model gives both quantitatively and qualitatively better results as compared to the standard k–ε model and the low Reynolds number models.     

LES Study of Turbulent Boundary Layer Over a Smooth and a Rough 2D Hill Model

Large eddy simulation (LES) is carried out to investigate the turbulent boundary-layer flows over a hill-shaped model with a steep or relatively moderate slope at moderately high Reynolds numbers (Re = O(10³)) defined by the hill height and the velocity at the hill height. The study focuses on the effects of surface roughness and curvature. For Sub-grid Scale (SGS) modeling of LES, both the dynamic Smagorinsky model (DSM) and the dynamic mixed model (DMM) are applied. The behavior of the separated shear layer and the vortex motion are affected by the oncoming turbulence, such that the shear layer comes close to the ground surface, or the size of a separation region becomes small because of the earlier instability of the separated shear layer. Appropriate measures are required to generate the inflow turbulence. The methods of Lund et al. (J. Comput. Phys., 140:233–258, 1998) and Nozawa and Tamura (J. Wind Eng. Ind. Aerodyn., 90:1151–1162, 2002; The 4th European and African Conference on Wind Engineering, 1–6, 2005) are employed to simulate the smooth- and rough-wall turbulent boundary layers in order to generate time-sequential data of inflow turbulence. This paper discusses the unsteady phenomena of the wake flows over the smooth and rough 2D hill-shaped obstacles and aims to clarify the roughness effects on the flow patterns and the turbulence statistics distorted by the hill. Numerical validation is conducted by comparing the simulation results with wind tunnel experiment data for the same hill shape at almost the same Re. The applicability of DSM and DMM are discussed, focusing on the recirculation region behind a steep hill.     

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.     

Smart Baffle Placement for Chaotic Mixing

It is well known that fluid mixing can often be improved by the introduction of ‘baffles’ into the flow – the problem of baffle placement is examined here for chaotic fluid mixing of a highly viscous fluid. A simple model for a planetary mixer, with one stirring element, is modified by the introduction of one or more stationary baffles. Regular regions of poor mixing in the unbaffled flow are shown to be significantly reduced in size if the location of the baffles is chosen so that the flow necessarily generates ‘topological chaos’. By contrast, the positioning of baffles in superficially similar ways that do not generate such ‘topological chaos’ fails to provide a similar improvement.     

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.     

In-Nozzle Measurements of a Turbulent Opposed Jet Using PIV

Turbulent opposed jet burners are an excellent test case for combustion research and model development due to the burners’ compactness, relative simplicity, and the good optical access they provide. The flow-field in the flame region depends strongly on the turbulence generation inside the nozzles, so that realistic flow simulations can only be achieved if the flow inside the nozzles is represented correctly, which must be verified by comparison to suitable experimental data. This paper presents detailed particle image velocimetry (PIV) measurements of the flow issuing from the turbulence generating plates (TGP) inside a glass nozzle. The resulting data is analyzed in terms of first and second moments, time-series, frequency spectra and phase averages. The measurements show how individual high velocity jets emerging from the TGP interact and recirculation zones are formed behind the solid parts of the TGP. Vortex shedding is observed in the jet’s shear layer were high levels of turbulent kinetic energy are generated. Time series measurements revealed periodic pulsations of the individual jets and implied a coupling between adjacent jets. The peak frequencies were found to be a function of the Reynolds-number.     

Large-Scale Turbulent Vortical Structures inside a Sudden Expansion Cylinder Chamber

A large eddy simulation (LES) is performed for turbulent flow around a bluff body inside a sudden expansion cylinder chamber, a configuration which resembles a premixed gas turbine combustor. To promote turbulent mixing and to accommodate flame stability, a flame holder is installed inside the combustion chamber. The Smagorinsky model and the Lagrangian dynamic subgrid-scale model are employed and tested. The calculated Reynolds number is 5,000 based on the bulk velocity and the diameter of inlet pipe. The simulation code is constructed by using a general coordinate system based on the physical contravariant velocity components. The predicted turbulent statistics are evaluated by comparing with the laser-doppler velocimetry (LDV) measurement data. The agreement of LES with the experimental data is shown to be satisfactory. Emphasis is placed on the time-dependent evolutions of turbulent vortical structures behind the flame holder. The numerical flow visualizations depict the behavior of large-scale vortices. The turbulent behavior behind the flame holder is analyzed by visualizing the sectional views of vortical structure. This revised version was published online in July 2006 with corrections to the Cover Date.     

High-resolution measurements of two-dimensional instabilities and turbulence transition in plane mixing layers

 High-resolution two-dimensional (2D) measurements on a large plane mixing layer provide new quantitative information of its spatial and temporal evolution to turbulence. Periodic acoustic excitation with three frequencies was used to stabilize the fundamental instability of the mixing layer (roll-up) and its first and second subharmonics (vortex pairings). Phase-locked velocity measurements of the time evolution in 2D space (x, y, t) reveal accurate spatially resolved primary (2D) instabilities of the mixing layer and turbulence transition. The measurements unveil new quantitative details of the initial Kelvin–Helmholtz waves and their spatial and temporal evolution into vortex shedding and the effect of the second subharmonic on the first vortex pairing. The second-subharmonic effect hastens alternate first pairings of the rollers, with the result that pairing is completed at two downstream locations. The pairings that occur closer to the knife-edge are more organized (laminar) than those occurring farther downstream (transitional). This effect is corroborated using Taylor’s hypothesis to compute the vorticity distributions from the measured velocity field and a pseudo-spectral simulation of the temporal evolution of the mixing layer. Received: 26 March 1998/Accepted: 2 March 1999     

Modeling Turbulent Droplet Motion in Vaporizing Sprays

The present article is concerned with the influence of turbulent gas-velocity fluctuations on both droplet dispersion and droplet-gas slip velocity in the context of spray simulation. The role of turbulence in generating slip and thus enhancing interphase heat and mass transfer has so far received little attention and is investigated in this work. A model for turbulent gas-velocity fluctuations along droplet trajectories is presented and is first tuned to reproduce elementary dispersion phenomena. It is then shown to give good results for more general dispersion problems as well as for slip velocities. As a fundamental source of information and for the purpose of model validation and comparison, direct numerical simulation (DNS) of droplet motion in homogeneous isotropic steady turbulence (HIST) is used. Dispersion of “injected” droplets (i.e. droplets under the influence of drift due to high injection velocity) as well as slip velocities for linear and nonlinear droplet drag are studied, and reasonable agreement is found with the model. The distributions of the slip velocity are found to be very similar for linear and highly nonlinear drag law. The present model is also used to investigate the influence of turbulence on droplet penetration. Comparison is made with an eddy-interaction model (the KIVA-2 model), which reveals various weaknesses of this model, in particular the underprediction of average slip velocity. The influence of slip due to turbulence on vaporization is shown for a fuel spray injected into a premix gas-turbine combustor. The classical eddy-interaction model is seen to underestimate the rate of vaporization due to the underprediction of slip. This revised version was published online in July 2006 with corrections to the Cover Date.     

3-D Turbulent density field diagnostics by tomographic Moiré technique

 A novel whole-field optical method for mapping three-dimensional intensity of a turbulent density field is described. The method is based on the measurement of the local contrast degradation of Moiré fringes due to turbulence. For mapping the three-dimensional turbulence the tomographic technique was applied. The method was demonstrated by measuring the structure function constant of a hot, turbulent density jet. The results clearly show the high turbulent regions in the mixing shear layer at the jet edges and in the jet center, which corresponds to the wake behind the heating element of the jet generator. The optical setup is simple and can be automated. The method fits the tomographic technique and a high number of data values can be obtained from one record. Received: 18 June 1996/Accepted: 30 December 1996     

Simulation and Modelling of Turbulent Trailing-Edge Flow

Computations of turbulent trailing-edge flow have been carried out at a Reynolds number of 1000 (based on the free-stream quantities and the trailing-edge thickness) using an unsteady 3D Reynolds-Averaged Navier–Stokes (URANS) code, in which two-equation (k–ε) turbulence models with various low-Re near wall treatments were implemented. Results from a direct numerical simulation (DNS) of the same flow are available for comparison and assessment of the turbulence models used in the URANS code. Two-dimensional URANS calculations are carried out with turbulence mean properties from the DNS used at the inlet; the inflow boundary-layer thickness is 6.42 times the trailing-edge thickness, close to typical turbine blade flow applications. Many of the key flow features observed in DNS are also predicted by the modelling; the flow oscillates in a similar way to that found in bluff-body flow with a von Kármán vortex street produced downstream. The recirculation bubble predicted by unsteady RANS has a similar shape to DNS, but with a length only half that of the DNS. It is found that the unsteadiness plays an important role in the near wake, comparable to the modelled turbulence, but that far downstream the modelled turbulence dominates. A spectral analysis applied to the force coefficient in the wall normal direction shows that a Strouhal number based on the trailing-edge thickness is 0.23, approximately twice that observed in DNS. To assess the modelling approximations, an a priori analysis has been applied using DNS data for the key individual terms in the turbulence model equations. A possible refinement to account for pressure transport is discussed. This revised version was published online in July 2006 with corrections to the Cover Date.     

Modeling the Turbulent Vortex Wake Behind a High-Lift Wing

A mathematical model and the results of a numerical simulation of the multiple vortex structure behind the high-lift wing (with deflected flaps) of a civil aircraft model are presented. The calculations are performed within the framework of the simplified (with allowance for the specific features of the flow under consideration) three-dimensional Reynolds equations using three turbulence models. The results obtained are compared with the experimental data; a considerable influence of the streamline curvature, typical of vortex flows, not only on the turbulence parameters but also on the parameters of the average flow is demonstrated. As a result, only one of the turbulence models considered, namely, that taking the streamline curvature and rotation effects on the turbulence into account, ensures acceptable accuracy of the main wake characteristics.     

Simulation of Hydrogen Auto-Ignition in a Turbulent Co-flow of Heated Air with LES and CMC Approach

Large-Eddy Simulations (LES) with the first order Conditional Moment Closure (CMC) approach of a nitrogen-diluted hydrogen jet, igniting in a turbulent co-flowing hot air stream, are discussed. A detailed mechanism (nine species, 19 reactions) is used to represent the chemistry. Our study covers the following aspects: CFD mesh resolution; CMC mesh resolution; inlet boundary conditions and conditional scalar dissipation rate modelling. The Amplitude Mapping Closure for the conditional scalar dissipation rate produces acceptable results. We also compare different options to calculate conditional quantities in CMC resolution. The trends in the experimental observations are in general well reproduced. The auto-ignition length decreases with an increase in co-flow temperature and increases with increase in co-flow velocity. The phenomena are not purely chemically controlled: the turbulence and mixing play also affect the location of auto-ignition. In order to explore the effect of turbulence, two options were applied: random noise and turbulence generator based on digital filter. It was found that stronger turbulence promotes ignition.     

An analysis of subgrid-resolved scale interactions with use of results from direct numerical simulations

Subgrid nonlinear interaction and energy transfer are analyzed using direct numerical simulations of isotropic turbulence. Influences of cutoff wave number at different ranges of scale on the energetics and dynamics have been investigated. It is observed that subgrid-subgrid interaction dominates the turbulent dynamics when cut-off wave number locates in the energy-containing range while resolved-subgrid interaction dominates if it is in the dissipation range. By decomposing the subgrid energy transfer and nonlinear interaction into ‘forward’ and ‘backward’ groups according to the sign of triadic interaction, we find that individually each group has very large contribution, but the net of them is much smaller, implying that tremendous cancellation happens between these two groups.     

Prediction of a Turbulent Non-Premixed Natural Gas Flame in a Semi-Industrial Scale Furnace using a Radiative Flamelet Combustion Model

A mixedness-reactedness flamelet combustion model coupled with a comprehensive radiation heat transfer model based on the discrete transfer method of solution of the radiative transport equation is applied for the simulation of a 3 MW non-swirling turbulent non-premixed natural gas flame in the experimental furnace at the International Flame Research Foundation. In the calculation, turbulence is represented by the standard k − ε and a differential Reynolds-stress model. Predictions are compared with measurements of mean gas velocity, temperature, major species concentrations and incident radiation wall flux. The radiative mixedness-reactedness flamelet combustion model, irrespective of the model for turbulence, is able to reproduce the basic structure of the experimental flame, which is stabilised downstream of the burner nozzle. In the near burner region, encompassing the non-reacting lift-off zone, good quality predictions are obtained using both the turbulence models, whereas further downstream, within the combusting zone of the jet, the Reynolds-stress turbulence model generates better predictions at and about the furnace axis. The nitric oxide (NO) formation via the thermal- and prompt-NO routes was also calculated and compared with in-flame and flue-gas NO data. The measured NO level at the furnace exit is well reproduced in the calculation, however discrepancies exist near the burner where NO concentrations around the furnace axis are overpredicted.     

Asymptotic expansions by Γ-convergence

Our starting point is a parameterized family of functionals (a ‘theory’) for which we are interested in approximating the global minima of the energy when one of these parameters goes to zero. The goal is to develop a set of increasingly accurate asymptotic variational models allowing one to deal with the cases when this parameter is ‘small’ but finite. Since Γ-convergence may be non-uniform within the ‘theory’, we pose a problem of finding a uniform approximation. To achieve this goal we propose a method based on rectifying the singular points in the parameter space by using a blow-up argument and then asymptotically matching the approximations around such points with the regular approximation away from them. We illustrate the main ideas with physically meaningful examples covering a broad set of subjects from homogenization and dimension reduction to fracture and phase transitions. In particular, we give considerable attention to the problem of transition from discrete to continuum when the internal and external scales are not well separated, and one has to deal with the so-called ‘size’ or ‘scale’ effects.      

Accessed Compositions in Turbulent Reactive Flows

At a given position and time in a turbulent reactive flow involving many chemical species, the thermochemical composition corresponds to a point in the multi-dimensional composition space. The union of all such points, for all positions, times and realizations, is defined to be the accessed region of the composition space. The geometry of the accessed region is investigated from several perspectives. Many existing models of turbulent nonpremixed combustion (e.g., equilibrium chemistry, the steady flamelet model, and the conditional moment closure) implicitly assume that the accessed region is a low-dimensional manifold of dimension one or two. It is shown from the conservation equations that the simultaneous actions of mixing and reaction can lead to an accessed region of significantly higher dimension than occurs when mixing and reaction act separately or sequentially. For a laminar flame, the accessed region is a curved manifold of the same dimensionality as the flow; whereas for a turbulent reactive flow it is a plane manifold, generally of higher dimension. Several processes are identified which can lead to the edge of the manifold being nonconvex.