Laminar diffusion flamelet models in non-premixed turbulent combustion

This report documents a Fortran computer program that computes species and temperature profiles in steady-state burner-stabilized and freely propagating premixed laminar flames. The program accounts for finite rate chemical kinetics and multicomponent molecular transport. After stating the appropriate governing equations and boundary conditions, we discuss the finite difference discretization and the Newton method for solving the boundary value problem. Global convergence of this algorithm is aided by invoking time integration procedures when the Newton method has convergence difficulties. The program runs in conjunction with preprocessors for the chemical reaction mechanism and the transport properties. Transport property formulations include the option of using multicomponent or mixtureaveraged formulas for molecular diffusion. Discussion of two example problems illustrates many of the program's capabilities.

PREMIX :A F ORTRAN Program for Modeling Steady Laminar One-Dimensional Premixed Flames

https://www3.nd.edu/~powers/ame.60636/maas1992.pdf

Simplifying chemical kinetics: Intrinsic low-dimensional manifolds in composition space

Chemical kinetic modeling of hydrocarbon combustion

The laminar flamelet concept covers a regime in turbulent combustion where chemistry (as compared to transport processes) is fast such that it occurs in asymptotically thin layers—called flamelets—embedded within the turbulent flow field. This situation occurs in most practical combustion systems including reciprocating engines and gas turbine combustors. The inner structure of the flamelets is one-dimensional and time dependent. This is shown by an asymptotic expansion for the Damkohler number of the rate determining reaction which is assumed to be large. Other non-dimensional chemical parameters such as the nondimensional activation energy or Zeldovich number may also be large and may be related to the Damkohler number by a distinguished asymptoiic limit. Examples of the flamelet structure are presented using onestep model kinetics or a reduced four-step quasi-global mechanism for methane flames. For non-premixed combustion a formal coordinate transformation using the mixture fraction Z as independent variable leads to a universal description. The instantaneous scalar dissipation rate χ of the conserved scalar Z is identified to represent the diffusion time scale that is compared with the chemical time scale in the definition of the Damkohler number. Flame stretch increases the scalar dissipation rate in a turbulent flow field. If it exceeds a critical value χ q the diffusion flamelet will extinguish. Considering the probability density distribution of χ , it is shown how local extinction reduces the number of burnable flamelets and thereby the mean reaction rate. Furthermore, local extinction events may interrupt the connection to burnable flamelets which are not yet reached by an ignition source and will therefore not be ignited. This phenomenon, described by percolation theory, is used to derive criteria for the stability of lifted flames. It is shown how values of ∋ q obtained from laminar experiments scale with turbulent residence times to describe lift-off of turbulent jet diffusion flames. For non-premixed combustion it is concluded that the outer mixing field—by imposing the scalar dissipation rate—dominates the flamelet behaviour because the flamelet is attached to the surface of stoichiometric mixture. The flamelet response may be two-fold: burning or non-burning quasi-stationary states. This is the reason why classical turbulence models readily can be used in the flamelet regime of non-premixed combustion. The extent to which burnable yet non-burning flamelets and unsteady transition events contribute to the overall statistics in turbulent non-premixed flames needs still to be explored further. For premixed combustion the interaction between flamelets and the outer flow is much stronger because the flame front can propagate normal to itself. The chemical time scale and the thermal diffusivity determine the flame thickness and the flame velocity. The flamelet concept is valid if the flame thickness is smaller than the smallest length scale in the turbulent flow, the Kolmogorov scale. Also, if the turbulence intensity v′ is larger than the laminar flame velocity, there is a local interaction between the flame front and the turbulent flow which corrugates the front. A new length scale L G =v F 3 /∈ , the Gibson scale, is introduced which describes the smaller size of the burnt gas pockets of the front. Here v F is the laminar flame velocity and ∈ the dissipation of turbulent kinetic energy in the oncoming flow. Eddies smaller than L G cannot corrugate the flame front due to their smaller circumferential velocity while larger eddies up to the macro length scale will only convect the front within the flow field. Flame stretch effects are the most efficient at the smallest scale L G . If stretch combined with differential diffusion of temperature and the deficient reactant, represented by a Lewis number different from unity, is imposed on the flamelet, its inner structure will respond leading to a change in flame velocity and in some cases to extinction. Transient effects of this response are much more important than for diffusion flamelets. A new mechanism of premixed flamelet extinction, based on the diffusion of radicals out of the reaction zone, is described by Rogg. Recent progress in the Bray-Moss-Libby formulation and the pdf-transport equation approach by Pope are presented. Finally, different approaches to predict the turbulent flame velocity including an argument based on the fractal dimension of the flame front are discussed.

Laminar Flamelet Concepts in Turbulent Combustion

The level-set approach is applied to a regime of premixed turbulent combustion where the Kolmogorov scale is smaller than the flame thickness. This regime is called the thin reaction zones regime. It is characterized by the condition that small eddies can penetrate into the preheat zone, but not into the reaction zone.By considering the iso-scalar surface of the deficient-species mass fraction Y immediately ahead of the reaction zone a field equation for the scalar quantity G(x, t) is derived, which describes the location of the thin reaction zone. It resembles the level-set equation used in the corrugated flamelet regime, but the resulting propagation velocity s*L normal to the front is a fluctuating quantity and the curvature term is multiplied by the diffusivity of the deficient species rather than the Markstein diffusivity. It is shown that in the thin reaction zones regime diffusive effects are dominant and the contribution of s*L to the solution of the level-set equation is small.In order to model turbulent premixed combustion an equation is used that contains only the leading-order terms of both regimes, the previously analysed corrugated flamelets regime and the thin reaction zones regime. That equation accounts for non-constant density but not for gas expansion effects within the flame front which are important in the corrugated flamelets regime. By splitting G into a mean and a fluctuation, equations for the Favre mean [Gtilde]and the variance [Gtilde]″2 are derived. These quantities describe the mean flame position and the turbulent flame brush thickness, respectively. The equation for [Gtilde]″2 is closed by considering two-point statistics. Scaling arguments are then used to derive a model equation for the flame surface area ratio [rhotilde]. The balance between production, kinematic restoration and dissipation in this equation leads to a quadratic equation for the turbulent burning velocity. Its solution shows the ‘bending’ behaviour of the turbulent to laminar burning velocity ratio sT/sL, plotted as a function of v′/sL. It is shown that the bending results from the transition from the corrugated amelets to the thin reaction zones regimes. This is equivalent to a transition from Damkohler's large-scale to his small-scale turbulence regime.

The turbulent burning velocity for large-scale and small-scale turbulence

This book is an introduction to the up-to-date technology used in reducing kinetic mechanisms especially for combustion systems. However, it can also be used as a handbook, in that it presents the most recent methods for modelling a variety of systems. In addition it presents existing software for reducing mechanisms and flame calcualtions for mixed and pre-mixed flames and fuels ranging from hydrogen to propane, and it defines a format for general flamelet libraries. Details are thoroughly compared with experimental data. This volume addresses scientists, graduate students and chemical engineers in industry and environmental research.

Reduced Kinetic Mechanisms for Applications in Combustion Systems

A theoretical analysis of turbulent jet diffusion flames is developed in which the flame is regarded as an ensemble of laminar diffusion flamelets that are highly distorted. The flow inhomogeneities are considered to be sufficiently strong to produce local quenching events for flamelets as a consequence of excessive flame stretch. The condition for flamelet extinction is derived in terms of the instantaneous scalar dissipation rate, which is ascribed a log-normal distribution. Percolation theory for a random network of stoichiometri c sheets is used to predict quenching thresholds that define liftoff heights. Predictions are shown to be in reasonably satisfactory agreement with experimentally measured liftoff heights of methane jet diffusion flames, within experimental uncertainties. UEL issuing from a tube or duct into an oxidizing atmosphere forms a jet in which combustion may occur. The associated combustion process is the most classical example of a diffusion flame. At sufficiently high velocities of fuel flow (fundamentally, at sufficiently large Reynolds numbers) the entire diffusion flame is turbulent. The turbulent jet diffusion flame begins at the mouth of the duct for a range of values of the exit velocity. When a critical exit velocity is exceeded, the flame abruptly is detached from the duct and acquires a new configuration of stabilization in which combustion begins a number of duct diameters downstream. Flames in this state, stabilized in the mixing region, are termed lifted diffusion flames, and the critical exit velocity at which they appear is called the liftoff velocity. The liftoff height is the centerline distance from the duct exit to the plane of flame stabilization. A further increase in the exit velocity increases the liftoff height without significantly modifying the turbulent flame height (the centerline distance from the duct exit to the plane at which, on the average, combustion ceases). There is a second critical value of the exit velocity, called the blowoff velocity, beyond which the flame cannot be stabilized in the mixing region. The present study addresses questions of the structure of lifted turbulent diffusion flames at exit velocities between liftoff and blowoff values. Attention is focused especially on the calculation of liftoff heights. Liftoff characteristics for turbulent jet diffusion flames are of practical importance in connection with flame stabilization. Conditions for liftoff and blowoff must be known in developing rational designs of burners, e.g., in diffusion-flame combustors for power production or in flaring applications for the petroleum industry. They are also of interest in connection with extinguishment of certain fires that may occur in oil or gas rigs. The present work is directed toward developing an improved fundamental understanding of liftoff phenomena that may later prove useful for these applications.

Norbert Peters

Papers

Laminar diffusion flamelet models in non-premixed turbulent combustion

Laminar Flamelet Concepts in Turbulent Combustion

The turbulent burning velocity for large-scale and small-scale turbulence

Reduced Kinetic Mechanisms for Applications in Combustion Systems

Liftoff characteristics of turbulent jet diffusion flames