PDF calculations of piloted premixed jet flames

A series of piloted premixed jet flames with strong finite-rate chemistry effects is studied using the joint velocity-turbulence frequency-composition PDF method. The numerical accuracy of the calculations is demonstrated, and the calculations are compared to experimental data. It is found that all calculations show good agreement with the measurements of mean and rms mixture fraction fields, while the reaction progress is overpredicted to varying degrees depending on the jet velocity. In the calculations of the flame with the lowest jet velocity, the species and temperature show reasonable agreement with the measurements, with the exception of a small region near the centerline where products and temperature are overpredicted and fuel and oxidizer are underpredicted. In the calculations of the flame with the highest jet velocity, however, the overprediction of products and temperature and underprediction of fuel and oxidizer is far more severe. An extensive set of sensitivity studies on inlet boundary conditions, turbulence model constants, mixing models and constants, radiation treatment, and chemical mechanisms is conducted to show that any parameter variation offers little improvement from the base case. To shed light on these discrepancies, diagnostic calculations are performed in which the chemical reactions are artificially slowed. These diagnostic calculations serve to validate the experimental data and to quantify the amount by which the base case calculations overpredict reaction progress. Improved calculations of this flame are achieved only through artificially slowing down the chemical reaction by a factor of about 10. The mixing model behavior in this combustion regime is identified as a likely cause for the observed discrepancy in reaction progress.     

A transported probability density function/photon Monte Carlo method for high-temperature oxy–natural gas combustion with spectral gas and wall radiation

A computational fluid dynamics model for high-temperature oxy–natural gas combustion is developed and exercised. The model features detailed gas-phase chemistry and radiation treatments (a photon Monte Carlo method with line-by-line spectral resolution for gas and wall radiation – PMC/LBL) and a transported probability density function (PDF) method to account for turbulent fluctuations in composition and temperature. The model is first validated for a 0.8 MW oxy–natural gas furnace, and the level of agreement between model and experiment is found to be at least as good as any that has been published earlier. Next, simulations are performed with systematic model variations to provide insight into the roles of individual physical processes and their interplay in high-temperature oxy–fuel combustion. This includes variations in the chemical mechanism and the radiation model, and comparisons of results obtained with versus without the PDF method to isolate and quantify the effects of turbulence–chemistry interactions and turbulence–radiation interactions. In this combustion environment, it is found to be important to account for the interconversion of CO and CO₂, and radiation plays a dominant role. The PMC/LBL model allows the effects of molecular gas radiation and wall radiation to be clearly separated and quantified. Radiation and chemistry are tightly coupled through the temperature, and correct temperature prediction is required for correct prediction of the CO/CO₂ ratio. Turbulence–chemistry interactions influence the computed flame structure and mean CO levels. Strong local effects of turbulence–radiation interactions are found in the flame, but the net influence of TRI on computed mean temperature and species profiles is small. The ultimate goal of this research is to simulate high-temperature oxy–coal combustion, where accurate treatments of chemistry, radiation and turbulence–chemistry–particle–radiation interactions will be even more important.     

Eulerian transported probability density function sub-filter model for large-eddy simulations of turbulent combustion

Reactive flow simulations using large-eddy simulations (LES) require modelling of sub-filter fluctuations. Although conserved scalars like mixture fraction can be represented using a beta-function, the reactive scalar probability density function (PDF) does not follow an universal shape. A one-point one-time joint composition PDF transport equation can be used to describe the evolution of the scalar PDF. The high-dimensional nature of this PDF transport equation requires the use of a statistical ensemble of notional particles and is directly coupled to the LES flow solver. However, the large grid sizes used in LES simulations will make such Lagrangian simulations computationally intractable. Here we propose the use of a Eulerian version of the transported-PDF scheme for simulating turbulent reactive flows. The direct quadrature method of moments (DQMOM) uses scalar-type equations with appropriate source terms to evolve the sub-filter PDF in terms of a finite number of delta-functions. Each delta-peak is characterized by a location and weight that are obtained from individual transport equations. To illustrate the feasibility of the scheme, we compare the model against a particle-based Lagrangian scheme and a presumed PDF model for the evolution of the mixture fraction PDF. All these models are applied to an experimental bluff-body flame and the simulated scalar and flow fields are compared with experimental data. The DQMOM model results show good agreement with the experimental data as well as the other sub-filter models used.     

Lagrangian investigation of local extinction,re-ignition and auto-ignition in turbulent flames

Lagrangian PDF investigations are performed of the Sandia piloted flame E and the Cabra H₂/N₂ lifted flame to help develop a deeper understanding of local extinction, re-ignition and auto-ignition in these flames, and of the PDF models' abilities to represent these phenomena. Lagrangian particle time series are extracted from the PDF model calculations and are analyzed. In the analysis of the results for flame E, the particle trajectories are divided into two groups: continuous burning and local extinction. For each group, the trajectories are further sub-divided based on the particles' origin: the fuel stream, the oxidizer stream, the pilot stream, and the intermediate region. The PDF calculations are performed using each of three commonly used models of molecular mixing, namely the EMST, IEM and modified Curl mixing models. The calculations with different mixing models reproduce the local extinction and re-ignition processes observed in flame E reasonably well. The particle behavior produced by the IEM and modified Curl models is different from that produced by the EMST model, i.e., the temperature drops prior to (and sometimes during) re-ignition. Two different re-ignition mechanisms are identified for flame E: auto-ignition and mixing-reaction. In the Cabra H₂/N₂ lifted flame, the particle trajectories are divided into different categories based on the particles' origin: the fuel stream, the oxidizer stream, and the intermediate region. The calculations reproduce the whole auto-ignition process reasonably well for the Cabra flame. Four stages of combustion in the Cabra flame are identified in the calculations by the different mixing models, i.e., pure mixing, auto-ignition, mixing-ignition, and fully burnt, although the individual particle behavior by the IEM and modified Curl models is different from that by the EMST model. The relative importance of mixing and reaction during re-ignition and auto-ignition are quantified for the IEM model.     

Spatial scales of extinction and dissipation in the near field of non-premixed turbulent jet flames

Simultaneous high-resolution Rayleigh scattering imaging and planar laser-induced fluorescence (PLIF) of OH are combined to measure the dissipative scales associated with thermal mixing and the structure and scales of extinguished regions of the reaction zone. Measurements are performed throughout the near field (x/d = 5, 10, 15, 20) of two turbulent, non-premixed methane/hydrogen/nitrogen jet flames with Re = 15,200 and 22,800 (flames DLR-A and DLR-B of the TNF workshop). Locally extinguished regions are identified by discontinuities in the OH layers, and the extinction hole sizes are measured. For each flame, the probability density function of the hole sizes is very similar throughout the entire near field, with the most likely hole size being 1.9 mm in DLR-A and 1.1 mm in DLR-B. Extinction events are equally probable at all measurement locations in DLR-A. In the DLR-B flame, there is a progression from frequent extinction close to the nozzle to more continuous reaction zones further downstream. The approximate instantaneous location of the stoichiometric contour is determined using the OH-PLIF images, enabling statistical analysis of dissipative scales conditioned on rich and lean conditions. The widths of the thin, elongated structures that dominate the thermal dissipation field are measured. Statistics of this microscale are qualitatively similar in both flames, with the higher Reynolds number producing smaller scales throughout the flow field. For dissipation layers in rich regions, the layer widths increase significantly with increasing temperature, while on the lean side the layer widths decrease with increasing temperature.     

Studies of the flow and turbulence fields in a turbulent pulsed jet flame using LES/PDF

A turbulent piloted jet flame subject to a rapid velocity pulse in its fuel jet inflow is proposed as a new benchmark case for the study of turbulent combustion models. In this work, we perform modelling studies of this turbulent pulsed jet flame and focus on the predictions of its flow and turbulence fields. An advanced modelling strategy combining the large eddy simulation (LES) and the probability density function (PDF) methods is employed to model the turbulent pulsed jet flame. Characteristics of the velocity measurements are analysed to produce a time-dependent inflow condition that can be fed into the simulations. The effect of the uncertainty in the inflow turbulence intensity is investigated and is found to be very small. A method of specifying the inflow turbulence boundary condition for the simulations of the pulsed jet flame is assessed. The strategies for validating LES of statistically transient flames are discussed, and a new framework is developed consisting of different averaging strategies and a bootstrap method for constructing confidence intervals. Parametric studies are performed to examine the sensitivity of the predictions of the flow and turbulence fields to model and numerical parameters. A direct comparison of the predicted and measured time series of the axial velocity demonstrates a satisfactory prediction of the flow and turbulence fields of the pulsed jet flame by the employed modelling methods.     

Finite-rate chemistry effects in turbulent opposed flows: comparison of Raman/Rayleigh measurements and Monte Carlo PDF simulations

This study reports results from experimental and numerical investigations of a partially premixed turbulent opposed methane/air jet flame. Experimentally determined properties of the scalar and the flow field are compared to the results from a Monte Carlo simulation. One-dimensional spatially resolved Raman/Rayleigh scattering serves to quantify the mean species concentrations and temperature, whereas laser Doppler velocimetry is used to measure axial and radial velocity components. The simulation is simplified by using a one-dimensional formulation. It includes a Reynolds-stress turbulence model and a Monte Carlo simulation of the joint scalar probability density function (PDF). A non-uniform Monte Carlo particle distribution is used to minimize stochastic errors. The flame is operated close to extinction with strong interactions between turbulence and chemistry. Comparisons between experimental and numerical results reveal a good agreement of mixture fraction profiles along the centreline. However, species scatter plots and mixture fraction PDFs show discrepancies between experiment and simulation. Numerical simulations over-predict the extinction limits and therefore under-predict the intermittent nature of turbulence and mixing of the scalars.     

两相壁面射流PDF方程有限分析方法及数值模拟

提出求解位置-速度相空间中高维两相流PDF(probability density function)方程的有限分析方法,将位置-速度相空间颗粒PDF方程约化到速度空间,并解析求解,颗粒的位置PDF用轨道方法求解.对壁面射流两相流动进行数值模拟,并与颗粒雷诺应力轨道方法进行比较计算,结果优于颗粒雷诺应力轨道方法.