Modelling thermal radiation in buoyant turbulent diffusion flames

This work focuses on the numerical modelling of radiative heat transfer in laboratory-scale buoyant turbulent diffusion flames. Spectral gas and soot radiation is modelled by using the Full-Spectrum Correlated-k (FSCK) method. Turbulence-Radiation Interactions (TRI) are taken into account by considering the Optically-Thin Fluctuation Approximation (OTFA), the resulting time-averaged Radiative Transfer Equation (RTE) being solved by the Finite Volume Method (FVM). Emission TRIs and the mean absorption coefficient are then closed by using a presumed probability density function (pdf) of the mixture fraction. The mean gas flow field is modelled by the Favre-averaged Navier–Stokes (FANS) equation set closed by a buoyancy-modified k-? model with algebraic stress/flux models (ASM/AFM), the Steady Laminar Flamelet (SLF) model coupled with a presumed pdf approach to account for Turbulence-Chemistry Interactions, and an acetylene-based semi-empirical two-equation soot model. Two sets of experimental pool fire data are used for validation: propane pool fires 0.3 m in diameter with Heat Release Rates (HRR) of 15, 22 and 37 kW and methane pool fires 0.38 m in diameter with HRRs of 34 and 176 kW. Predicted flame structures, radiant fractions, and radiative heat fluxes on surrounding surfaces are found in satisfactory agreement with available experimental data across all the flames. In addition further computations indicate that, for the present flames, the gray approximation can be applied for soot with a minor influence on the results, resulting in a substantial gain in Computer Processing Unit (CPU) time when the FSCK is used to treat gas radiation.     

Modeling nongray gas-phase and soot radiation in luminous turbulent nonpremixed jet flames

Much progress has been made in radiative heat transfer modeling with respect to treatment of nongray radiation from both gas-phase species and soot particles, while radiation modeling in turbulent flame simulations is still in its infancy. Aiming at reducing this gap, this paper introduces state-of-the-art models of gas-phase and soot radiation to turbulent flame simulations. The full-spectrum k-distribution method (Modest, M.F., 2003, Journal of Quantitative Spectroscopy & Radiative Transfer, 76, 69–83) is implemented into a three-dimensional unstructured CFD code for nongray radiation modeling. The mixture full-spectrum k-distributions including nongray absorbing soot particles are constructed from a narrow-band k-distribution database created for individual gas-phase species, and an efficient scheme is employed for their construction in CFD simulations. A detailed reaction mechanism including NO _x and soot kinetics is used to predict flame structure, and a detailed soot model using a method of moments is employed to determine soot particle size distributions. A spherical-harmonic P₁ approximation is invoked to solve the radiative transfer equation. An oxygen-enriched, turbulent, nonpremixed jet flame is simulated, which features large concentrations of gas-phase radiating species and soot particles. Nongray soot modeling is shown to be of greater importance than nongray gas modeling in sooty flame simulations, with gray soot models producing large errors. The nongray treatment of soot strongly influences flame temperatures in the upstream and the flame-tip region and is essential for accurate predictions of NO. The nongray treatment of gases, however, weakly influences upstream flame temperatures and, therefore, has only a small effect on NO predictions. The effect of nongray soot radiation on flame temperature is also substantial in downstream regions where the soot concentration is small. Limitations of the P₁ approximation are discussed for the jet flame configuration; the P₁ approximation yields large errors in the spatial distribution of the computed radiative heat flux for highly anisotropic radiation fields such as those in flames with localized, near-opaque soot regions.     

Modelling nongrey gas-phase and soot radiation in luminous turbulent nonpremixed jet flames

Much progress has been made in radiative heat transfer modelling with respect to the treatment of nongrey radiation from both gas-phase species and soot particles, while radiation modelling in turbulent flame simulations is still in its infancy. Aiming at reducing this gap, this paper introduces state-of-the-art models of gas-phase and soot radiation to turbulent flame simulations. The full-spectrum k-distribution method (M.F. Modest, 2003, Journal of Quantitative Spectroscopy & Radiative Transfer, 76, 69–83) is implemented into a three-dimensional unstructured computational fluid dynamics (CFD) code for nongrey radiation modelling. The mixture full-spectrum k-distributions including nongrey absorbing soot particles are constructed from a narrow-band k-distribution database created for individual gas-phase species, and an efficient scheme is employed for their construction in CFD simulations. A detailed reaction mechanism including NO _x and soot kinetics is used to predict flame structure, and a detailed soot model using a method of moments is employed to determine soot particle size distributions. A spherical harmonic P₁ approximation is invoked to solve the radiative transfer equation. An oxygen-enriched, turbulent, nonpremixed jet flame is simulated, which features large concentrations of gas-phase radiating species and soot particles. Nongrey soot modelling is shown to be of greater importance than nongrey gas modelling in sooty flame simulations, with grey soot models producing large errors. The nongrey treatment of soot strongly influences flame temperatures in the upstream and the flame-tip region and is essential for accurate predictions of NO. The nongrey treatment of gases, however, weakly influences upstream flame temperatures and, therefore, has only a small effect on NO predictions. The effect of nongrey soot radiation on flame temperature is also substantial in downstream regions where the soot concentration is small. Limitations of the P₁ approximation are discussed for the jet flame configuration; the P₁ approximation yields large errors in the spatial distribution of the computed radiative heat flux for highly anisotropic radiation fields such as those in flames with localized, near-opaque soot regions.     

Monte Carlo ray-tracing simulation for radiative heat transfer in turbulent fluctuating media under the optically thin fluctuation approximation

The Monte Carlo ray-tracing method (MCRT) based on the concept of radiation distribution factor is extended to solve radiative heat transfer problem in turbulent fluctuating media under the optically thin fluctuation approximation. A one-dimensional non-scattering turbulent fluctuating media is considered, in which the mean temperature and absorption coefficient distribution are assumed and the shape of probability density function is given. The distribution of the time-averaged volume radiation heat source is solved by MCRT and direct integration method. It is shown that the results of MCRT based on the concept of radiation distribution factor agree with these of integration solution very well, but results of MCRT based on the concept of radiative transfer coefficient do not agree with these of integration solution. The solution of time-averaged radiative transfer equation by the concept of radiative transfer coefficient should be treated with caution.     

Monte Carlo simulation of radiative heat transfer and turbulence interactions in methane/air jet flames

A Photon Monte Carlo method combined with a composition PDF method is employed to model radiative heat transfer in combustion applications. Turbulence-radiation interactions (TRIs) can be fully taken into account using the proposed method. Sandia's Flame D and artificial flames derived from it are simulated and good agreement with experimental data is found. The effects of different TRI components are investigated. It is shown that, to predict the radiation field accurately, emission TRI must be taken into account, while, as expected, absorption TRI is negligible in the considered nonsooting methane/air jet flames if the total radiation quantities are concerned, but non-negligible for evaluation of local quantities. The influence of radiation on the turbulent flow field is also discussed.     

Anti-diffusive radiation flow in the cooling layer of a radiating shock

This paper shows that for systems with optically thin, hot layers, such as those that occur in radiating shocks, radiation will flow uphill: radiation will flow from low to high radiation energy density. These are systems in which the angular distribution of the radiation intensity changes rapidly in space, and in which the radiation in some region has a pancaked structure, whose effect on the mean intensity will be much larger than the effect on the scalar radiation pressure. The salient feature of the solution to the radiative transfer equation in these circumstances is that the gradient of the radiation energy density is in the same direction as the radiation flux, i.e. radiation energy is flowing uphill. Such an anti-diffusive flow of energy cannot be captured by a model where the spatial variation of the Eddington factor is not accounted for, as in flux-limited diffusion models or the P₁ equations. The qualitative difference between the two models leads to a monotonic mean intensity for the diffusion model whereas the transport mean intensity has a global maximum in the hot layer. Mathematical analysis shows that the discrepancy between the diffusion model and the transport solution is due to an approximation of exponential integrals using a simple exponential.     

Soot-visualization strategies using laser techniques

Strategies for spatially resolved soot volume-fraction measurements have been investigated in sooting laboratory flames with known soot characteristics. Two techniques were compared: Laser-Induced Fluorescence in C₂ from Laser-Vaporized Soot (LIF(C₂)LVS), and Laser-Induced Incandescence of soot (LII). The LII signal is the increased temperature radiation from soot particles which have been heated to temperatures of several thousand degrees as a consequence of absorption of laser radiation. The LIF(C₂)LVS technique is based on the production of C₂ radicals from laser-vaporized soot which occurs for laser intensities ≥10⁷ W/cm². A laser wavelength is chosen such that besides vaporizizng the soot, it also excites the C₂ radicals, and the subsequent C₂ fluorescence signal is detected. The signals from both techniques showed good correlation with soot volume fractions in the studied flame. The dependence of the signals on experimental parameters was studied, and the influence of interfering radiation, such as background flame luminosity and fluorescence from polyaromatic hydrocarbons, on studied signals was established. The potential of the two techniques for imaging of soot volume fractions in laboratory flames was demonstrated. Advantages and disadvantages of the studied techniques are discussed.     

Transported probability density function modeling of a bluff body stabilized turbulent flame

A transported probability density function (PDF) approach closed at the joint scalar level is used to model the bluff body stabilized turbulent diffusion flame (HM1) investigated experimentally by Masri and co-workers (Re = 15,800). The current effort extends previous work through the introduction of comprehensive thermochemistry computed via a systematically reduced C/H/N/O mechanism featuring 300 reactions, 20 solved, and 28 steady-state species. Molecular mixing is modelled using the modified Curl’s model. The current computations have been performed via a hybrid Monte Carlo/Finite Volume algorithm. The joint scalar PDF equations are solved using moving particles in a Lagrangian framework, and the velocity field is closed at the second moment level. The redistribution terms are modelled using the Generalized Langevin Model of Haworth and Pope. The principal aim was to investigate the thermochemical effects, and thus a steady-state calculation procedure is adopted. The computations are shown to reproduce experimental mean and rms values of velocities, temperature, mixture, and species mass fractions. In particular, mass fractions of CO and NO are well predicted. Conditional PDFs are also well reproduced although uncertainties in boundary conditions influence results close to the bluff body.     

Transported JPDF modelling and measurements of soot at elevated pressures

Accurate measurements and modelling of soot formation in turbulent flames at elevated pressures form a crucial step towards design methods that can support the development of practical combustion devices. A mass and number density preserving sectional model is here combined with a transported joint-scalar probability density function (JDPF) method that enables a fully coupled scalar space of soot, gas-phase species and enthalpy. The approach is extended to the KAUST turbulent non-premixed ethylene-nitrogen flames at pressures from 1 to 5 bar via an updated global bimolecular (second order) nucleation step from acetylene to pyrene. The latter accounts for pressure-induced density effects with the rate fitted using comparisons with full detailed chemistry up to 20 bar pressure and with experimental data from a WSR/PFR configuration and laminar premixed flames. Soot surface growth is treated via a PAH analogy and soot oxidation is considered via O, OH and O₂ using a Hertz-Knudsen approach. The impact of differential diffusion between soot and gas-phase particles is included by a gradual decline of diffusivity among soot sections. Comparisons with normalised experimental OH-PLIF and PAH-PLIF signals suggest good predictions of the evolution of the flame structure. Good agreement was also found for predicted soot volume statistics at all pressures. The importance of differential diffusion between soot and gas-phase species intensifies with pressure with the impact on PSDs more evident for larger particles which tend to be transported towards the fuel rich centreline leading to reduced soot oxidation.     

A diffusion-based approximate model for radiation heat transfer in a solar thermochemical reactor

An approximate numerical method for fast calculations of the radiation heat transfer in a solar thermochemical reactor cavity is formulated based on the separate treatment of the solar and thermal radiative exchange by the diffusion approach. The usual P₁ approximation is generalized by applying an equivalent radiation diffusion coefficient for the optically thin central part of the cavity. The resulting boundary-value problems are solved using the finite element algorithm. The accuracy of the model is assessed by comparing the results to those obtained by a pathlength-based Monte Carlo simulation. The applicability of the proposed model is demonstrated by performing calculations for an example problem, which incorporates a range of parameters typical for a solar chemical reactor and the spectral radiative properties of polydisperse zinc oxide particles.     

Al等离子体辐射损失的数值研究

建立了一个用于研究Al等离子体中的离子丰度和辐射损失的碰撞辐射模型,模型考虑了碰撞电离和复合,碰撞激发和退激发,辐射复合和自发辐射跃迁等原子过程,在恒离子密度和光性薄近似下,讨论了该模型给出的离子丰度和辐射损失的动态结果。 关键词：     

Effects of gas and soot radiation on soot formation in counterflow ethylene diffusion flames

Numerical study of soot formation in counterflow ethylene diffusion flames at atmospheric pressure was conducted using detailed chemistry and complex thermal and transport properties. Soot kinetics was modelled using a semi-empirical two-equation model. Radiation heat transfer was calculated using the discrete-ordinates method coupled with an accurate band model. The calculated soot volume fractions are in reasonably good agreement with the experimental results in the literature. The individual effects of gas and soot radiation on soot formation were also investigated.     

Direct numerical simulation of turbulence/radiation interaction in premixed combustion systems

An important fundamental issue in chemically reacting turbulent flows is turbulence/radiation interaction (TRI); TRI arises from highly nonlinear coupling between temperature and composition fluctuations. Here, a photon Monte Carlo method for the solution of the radiative transfer equation has been integrated into a turbulent combustion direct numerical simulation (DNS) code. DNS has been used to investigate TRI in a canonical configuration with systematic variations in optical thickness. The formulation allows for nongray gas properties, scattering, and general boundary treatments, although in this study, attention has been limited to gray radiation properties, no scattering, and black boundaries. Individual contributions to emission and absorption TRI have been isolated and quantified. Of particular interest are intermediate values of optical thickness where, for example, the smallest hydrodynamic and chemical scales are optically thin while the largest turbulence scales approach an optically thick behavior. In the configuration investigated, the temperature self-correlation contribution (emission) is primarily a function of the ratio of burned-gas temperature to unburned-gas temperature, and is the dominant contribution to TRI only in the optically thin limit. Even in the most optically thin case considered, the absorption coefficient–Planck function correlation and absorption coefficient–intensity correlation are not negligible. At intermediate values of optical thickness, contributions from all three correlations are significant.     

Second-order conditional moment closure modeling of a turbulent CH4/H2/N2 jet diffusion flame

The second-order CMC model for a detailed chemical mechanism is used to model a turbulent CH₄/H₂/N₂ jet diffusion flame. Second-order corrections are made to the three rate limiting steps of methane–air combustion, while first-order closure is employed for all the other steps. Elementary reaction steps have a wide range of timescales with only a few of them slow enough to interact with turbulent mixing. Those steps with relatively large timescales require higher-order correction to represent the effect of fluctuating scalar dissipation rates. Results show improved prediction of conditional mean temperature and mass fractions of OH and NO. Major species are not much influenced by second-order corrections except near the nozzle exit. A parametric study is performed to evaluate the effects of the variance parameter in log-normal scalar dissipation PDF and the constants for the dissipation term in conditional variance and covariance equations.     

The effect of timescale variation in multiple mapping conditioning mixing of PDF calculations for Sandia Flame series D–F

A stochastic implementation of the multiple mapping conditioning (MMC) model has been used for the modelling of turbulence–chemistry interactions in a series of turbulent jet diffusion flames with varying degrees of local extinction (Sandia Flames D–F). The mapping function approximates the cumulative probability distribution of mixture fraction and the corresponding variance can be controlled by a standard implementation of the scalar mixing timescale. The conditional fluctuations are controlled by a minor dissipation timescale, τ_min. The results show a clear dependence of the conditional fluctuations on the choice of the minor timescale, and the appropriate value for turbulent jet flames is similar to values determined in related direct numerical simulation (DNS) studies of homogeneous turbulent reacting flows. The predictions of means and variances of temperature and species mass fractions are very good for all flames, indicating an appropriate modelling of the conditional variances. Further sensitivity studies with respect to particle number density demonstrate a relative insensitivity of the results to the particle number in the numerical solution procedure. Good results can be obtained with as few as 10 particles per cell, allowing for a computationally inexpensive implementation of a Monte Carlo/probability density function (PDF) method.     

Large eddy simulation of soot evolution in turbulent nonpremixed bluff body flames

Large Eddy Simulation (LES) is utilized to investigate soot evolution in a series of turbulent nonpremixed bluff body flames featuring different bluff body diameters. The modeling framework relies on recent development in the soot subfilter Probability Density Function (PDF) model that can correctly account for the distribution of soot with respect to mixture fraction, correcting errors in previous soot subfilter PDF models that significantly overpredict soot oxidation. With the previous soot subfilter PDF model, no soot was observed outside of the recirculation zone in past studies on similar bluff body flames. Results obtained with the current LES modeling approach compare favorably with the experimental measurements of the flow field and the soot volume fraction. Notably, the current LES modeling approach correctly predicts large soot volume fractions in the recirculation zone, a decrease in the soot volume fraction through the high-strain neck region, and then an increase again in the downstream jet-like region. Consistent with the experimental measurements, the larger bluff body diameter, with its larger recirculation zone with longer residence times, generates more soot in the recirculation zone and also more soot in the high-strain neck region. Analysis of the soot volume fraction source terms lead to mechanistic understanding of soot evolution in the entirety of the bluff body flames. Most of the soot generated in the recirculation zone is oxidized but some escapes unoxidized and is passively transported through the neck region. Virtually no new soot forms in the downstream jet-like region, and the increase in the soot volume fraction in the jet-like region is due to acetylene-based surface growth of the soot transported through the neck region. This mechanism could not be predicted with the previous soot subfilter PDF model, with the recent soot subfilter PDF model being critical in the understanding of this basic mechanism.     

Joint-scalar transported PDF modeling of soot formation and oxidation

The ability of the transported probability density function (PDF) approach to reproduce the evolution of mean, rms fluctuations, and conditional PDFs of soot is explored in the context of two turbulent ethylene diffusion flames at Reynolds numbers of 11,800 and 15,600. The chemical similarity between surface reactions and PAH formation is explored on the basis of a second ring PAH analogy, and soot oxidation is accounted for through reactions with O, OH, and O₂. The method of moments is used to account for coagulation and agglomeration in the coalescent and fractal aggregate limits. The soot model is coupled with a transported PDF approach closed at the joint-scalar level to directly account for interactions between turbulence, and the solid and gas phase chemistry. The latter is represented by a systematically reduced reaction mechanism for ethylene featuring 144 reactions, 15 solved and 14 steady-state species. Radiation from soot and gas phase species is accounted for through the RADCAL method and the inclusion of enthalpy into the joint-scalar PDF. Predicted temperature and soot statistics compare well with experimental data indicating the practical potential of the approach and the importance of turbulence-chemistry interactions in the context of soot formation and burnout.     

Differential approximations for transient radiative transfer in refractive planar media with pulse irradiation

Transient radiative transfer in an anisotropically scattering refractive planar medium with pulse irradiation is solved by various approximation methods, such as P?1, P?1 parabolic, P_1/3 and two-flux. The time-resolved transmittance and reflectance are calculated for various radiative parameters, and are compared with those obtained by the discrete ordinate method (DOM). Among the approximation methods considered, the P_1/3 approximation is the better one, because its results are in overall good agreement with those obtained by the more rigorous DOM, except the transmittance around the peak for neither thin nor very thick slabs. It is found that the curved paths of radiation and the internal reflection of the back scattered radiation enhance the effect of scattering.     

Soot visualisation by use of laser-induced soot vapourisation in combination with polarisation spectroscopy

A novel approach to the visualisation of soot is presented. It relies on a combination of laser-induced soot vapourisation and consecutive polarisation spectroscopy. Upon soot vapourisation, molecular fragments (for example, C₂) emerge, and may serve as effective tracers for soot. In this study we demonstrate that saturated polarisation spectroscopy on photo-induced C₂ can be exploited for soot detection. Signal maps featuring high signal-to-noise ratios were readily recorded in ethyne-rich flames and any spurious background, for example, caused by Rayleigh scattering, was successfully suppressed by means of spatial filtering. Additionally, investigations were carried out addressing how the attained signals correlate with local soot volumne fractions. For this purpose, height profiles of C₂ number densities inferred from the polarisation spectroscopy signal maps were compared with profiles of the soot volumne fraction inferred from measurements with laser-induced incandescence. For low soot volumne fractions, the shapes of the height profiles from our approach agree rather well with the latter; they do not agree for higher soot volumne fractions. Further investigation is required to resolve this discrepancy. Scattering from particles in the Mie scattering range may hamper the application of this approach, and avenues are suggested for extending the applicability of the approach presented to large soot particles. PACS 42.62.Fi; 82.80.Dx