Initial phase modelling in numerical explosion applied to process safety

The utilisation of computational fluid dynamics (CFD) in process safety has increased significantly in recent years. The modelling of accidental explosion via CFD has in many cases replaced the classical Multi Energy and Brake Strehlow methods. The benefits obtained with CFD modelling can be diminished if proper modelling of the initial phase of explosion is neglected. In the early stages of an explosion, the flame propagates in a quasi-laminar regime. Proper modelling of the initial laminar phase is a key aspect in order to predict the peak pressure and the time to peak pressure. The present work suggests a modelling approach for the initial laminar phase in explosion scenarios. Findings are compared with experimental data for two classical explosion test cases which resemble the common features in chemical process areas (confinement and congestion). A detailed analysis of the threshold for the transition from laminar to turbulent regime is also carried out. The modelling is implemented in a fully 3D Navier-Stokes compressible formulation. Combustion is treated using a laminar flamelet approach based on the Bray, Moss and Libby (BML) formulation. A novel modified porosity approach developed for the unstructured solver is also considered. Results agree satisfactorily with experiments and the modelling is found to be robust. © 2013 The Institution of Chemical Engineers.

Analysis of high pressure premixed flames using Equivalent Reactor Networks for predicting NOx emissions

This paper describes a computational study of lean premixed high pressure methane-air flames, using Computational Fluid Dynamics (CFD) together with a reactor network approach. A detailed chemical reaction mechanism is employed to predict pollutant concentrations, placing emphasis on nitrogen oxide emissions. The reacting flow field is divided into separate zones in which homogeneity of the physical and chemical conditions prevails. The defined zones are interconnected forming an Equivalent Reactor Network (ERN). Three flames are examined for which experimental data is available. Flame A is characterised by an equivalence ratio of 0.43 while Flames B and C are richer with equivalence ratios of 0.5 and 0.56 respectively. Computations are performed for a range of operating conditions, quantifying the effect in the emitted NOx levels. Model predictions are compared against the available experimental data. Sensitivity analysis is performed to investigate the effect of the network size, in order to define the optimum number of reactors for accurate predictions of the species mass fractions. © 2012 Elsevier Ltd. All rights reserved.

Low-order modelling of the response of ducted flames in annular geometries

The adoption of lean premixed prevaporised combustion systems can reduce NOx emissions from gas turbines, but unfortunately also increases their susceptibility to thermoacoustic instabilities. Initially, acoustic waves can produce heat release fluctuations by a variety of mechanisms, often by perturbing the equivalence ratio. If correctly phased, heat release fluctuations can subsequently generate more acoustic waves, which at high amplitude can result in significant structural damage to the combustor. The prediction of this phenomenon is of great industrial interest. In previous work, we have coupled a physics based, kinematic model of the flame with a network model to provide the planar acoustic response necessary to close the feedback loop and predict the onset and amplitude of thermoacoustic instabilities in a lab-scale, axisymmetric single burner combustor. The advantage of a time domain approach is that the modal interaction, the influence of harmonics, and flame saturation can be investigated. This paper extends this approach to more realistic, annular geometries, where both planar and circumferential modes must be considered. In lean premixed prevaporised combustors, fluctuations in equivalence ratio have been shown to be a dominant cause of unsteady combustion. These can occur, for example, due to velocity perturbations in the premix ducts, which can lead to equivalence ratio fluctuations at the fuel injectors, which are subsequently convected downstream to the flame surfaces. Here, they can perturb the heat release by locally altering the flame speed, enthalpy of combustion, and, indirectly, the flame surface area. In many gas turbine designs, particularly aeroengines, the geometries are composed of a ring of premix ducts linking a plenum and an annular combustor. The most unstable modes are often circumferential modes. The network model is used to characterise the flow response of the geometry to heat fluctuations at an appropriate location, such as the fuel injectors. The heat release at each flame holder is determined in the time domain using the kinematic flame model derived, as a function of the flow perturbations in the premix duct. This approach is demonstrated for an annular ring of burners on a in a simple geometry. The approach is then extended to an industrial type gas turbine combustor, and used to predict the limit cycle amplitudes. Copyright © 2012 by ASME.

Nonlinear phenomena in thermoacoustic systems with premixed flames

Nonlinear analysis of thermoacoustic instability is essential for prediction of frequencies, amplitudes and stability of limit cycles. Limit cycles in thermoacoustic systems are reached when the energy input from driving processes and energy losses from damping processes balance each other over a cycle of the oscillation. In this paper an integral relation for the rate of change of energy of a thermoacoustic system is derived. This relation is analogous to the well-known Rayleigh criterion in thermoacoustics, but can be used to calculate the amplitudes of limit cycles, as well as their stability. The relation is applied to a thermoacoustic system of a ducted slot-stabilized 2-D premixed flame. The flame is modelled using a nonlinear kinematic model based on the G-equation, while the acoustics of planar waves in the tube are governed by linearised momentum and energy equations. Using open-loop forced simulations, the flame describing function (FDF) is calculated. The gain and phase information from the FDF is used with the integral relation to construct a cyclic integral rate of change of energy (CIRCE) diagram that indicates the amplitude and stability of limit cycles. This diagram is also used to identify the types of bifurcation the system exhibits and to find the minimum amplitude of excitation needed to reach a stable limit cycle from another linearly stable state, for single- mode thermoacoustic systems. Furthermore, this diagram shows precisely how the choice of velocity model and the amplitudedependence of the gain and the phase of the FDF influence the nonlinear dynamics of the system. Time domain simulations of the coupled thermoacoustic system are performed with a Galerkin discretization for acoustic pressure and velocity. Limit cycle calculations using a single mode, as well as twenty modes, are compared against predictions from the CIRCE diagram. For the single mode system, the time domain calculations agree well with the frequency domain predictions. The heat release rate is highly nonlinear but, because there is only a single acoustic mode, this does not affect the limit cycle amplitude. For the twenty-mode system, however, the higher harmonics of the heat release rate and acoustic velocity interact resulting in a larger limit cycle amplitude. Multimode simulations show that in some situations the contribution from higher harmonics to the nonlinear dynamics can be significant and must be considered for an accurate and comprehensive analysis of thermoacoustic systems. Copyright © 2012 by ASME.

Obtaining bifurcation diagrams with a thermoacoustic network model

Linear techniques can predict whether the non-oscillating (steady) state of a thermoacoustic system is stable or unstable. With a sufficiently large impulse, however, a thermoacoustic system can reach a stable oscillating state even when the steady state is also stable. A nonlinear analysis is required to predict the existence of this oscillating state. Continuation methods are often used for this but they are computationally expensive. In this paper, an acoustic network code called LOTAN is used to obtain the steady and the oscillating solutions for a horizontal Rijke tube. The heat release is modelled as a nonlinear function of the mass flow rate. Several test cases from the literature are analysed in order to investigate the effect of various nonlinear terms in the flame model. The results agree well with the literature, showing that LOTAN can be used to map the steady and oscillating solutions as a function of the control parameters. Furthermore, the nature of the bifurcation between steady and oscillating states can be predicted directly from the nonlinear terms inside the flame model. Copyright © 2012 by ASME.

On Mixing and Shaking : Structure and Dynamics of Turbulent Stratified Flames

The drive for low emission combustion systems encourages applications using premixed flames. Yet in many applications, considerations of flame stability or mixing times lead to systems with neither premixed nor diffusion flames, which are often called technically premixed or stratified flames. In this talk we discuss the current state of understanding of the effect of mixing and extent of stratification on the structure, microstructure and dynamics of selected turbulent stratified flames. Over the past few years, a significant database of scalar and velocity data has been built to analyze the effects of unmixedness on local and global flame structure. Microscale studies of the flame structures show in detail how the effect of local stratification affects (or not!) the flame structure, flame surface density and scalar dissipation rates, and production of selected species. The experiments place exacting demands on current spectroscopic diagnostics, and reveal the progress and limits to our understanding of turbulent flames in general. The dynamics of stratified flames with respect to instabilities is also shown to be very rich, as the particular shape of the flames and the stabilization points are is significantly affected by the fuel distribution, modifying the rate and location of heat release, and thus the coupling with the surrounding acoustics and determining the onset of self-excitations.

Application of scalar dissipation rate model to siemens DLE combustors

The standard design process for the Siemens Industrial Turbomachinery, Lincoln, Dry Low Emissions combustion systems has adopted the Eddy Dissipation Model with Finite Rate Chemistry for reacting computational fluid dynamics simulations. The major drawbacks of this model have been the over-prediction of temperature and lack of species data limiting the applicability of the model. A novel combustion model referred to as the Scalar Dissipation Rate Model has been developed recently based on a flamelet type assumption. Previous attempts to adopt the flamelet philosophy with alternative closure models have failed, with the prediction of unphysical phenomenon. The Scalar Dissipation Rate Model (SDRM) was developed from a physical understanding of scalar dissipation rate, signifying the rate of mixing of hot and cold fluids at scales relevant to sustain combustion, in flames and was validated using direct numerical simulations data and experimental measurements. This paper reports on the first industrial application of the SDRM to SITL DLE combustion system. Previous applications have considered ideally premixed laboratory scale flames. The industrial application differs significantly in the complexity of the geometry, unmixedness and operating pressures. The model was implemented into ANSYS-CFX using their inbuilt command language. Simulations were run transiently using Scale Adaptive Simulation turbulence model, which switches between Large Eddy Simulation and Unsteady Reynolds Averaged Navier Stokes using a blending function. The model was validated in a research SITL DLE combustion system prior to being applied to the actual industrial geometry at real operating conditions. This system consists of the SGT-100 burner with a glass square-sectioned combustor allowing for detailed diagnostics. This paper shows the successful validation of the SDRM against time averaged temperature and velocity within measurement errors. The successful validation allowed application of the SDRM to the SGT-100 twin shaft at the relevant full load conditions. Limited validation data was available due to the complexity of measurement in the real geometry. Comparison of surface temperatures and combustor exit temperature profiles showed an improvement compared to EDM/FRC model. Furthermore, no unphysical phenomena were predicted. This paper presents the successful application of the SDRM to the industrial combustion system. The model shows a marked improvement in the prediction of temperature over the EDM/FRC model previously used. This is of significant importance in the future applications of combustion CFD for understanding of hardware mechanical integrity, combustion emissions and dynamics of the flame. Copyright © 2012 by ASME.

Flow field measurements of a series of turbulent premixed and stratified methane/air flames

This paper presents flow field measurements for the turbulent stratified burner introduced in two previous publications in which high resolution scalar measurements were made by Sweeney et al. [1,2] for model validation. The flow fields of the series of premixed and stratified methane/air flames are investigated under turbulent, globally lean conditions (φg=0.75). Velocity data acquired with laser Doppler anemometry (LDA) and particle image velocimetry (PIV) are presented and discussed. Pairwise 2-component LDA measurements provide profiles of axial velocity, radial velocity, tangential velocity and corresponding fluctuating velocities. The LDA measurements of axial and tangential velocities enable the swirl number to be evaluated and the degree of swirl characterized. Power spectral density and autocorrelation functions derived from the LDA data acquired at 10kHz are optimized to calculate the integral time scales. Flow patterns are obtained using a 2-component PIV system operated at 7Hz. Velocity profiles and spatial correlations derived from the PIV and LDA measurements are shown to be in very good agreement, thus offering 3D mapping of the velocities. A strong correlation was observed between the shape of the recirculation zones above the central bluff body and the effects of heat release, stoichiometry and swirl. Detailed analyses of the LDA data further demonstrate that the flow behavior changes significantly with the levels of swirl and stratification, which combines the contributions of dilatation, recirculation and swirl. Key turbulence parameters are derived from the total velocity components, combining axial, radial and tangential velocities. © 2013 The Combustion Institute.

Effects of the biodiesel fuel physical properties on the swirl stabilised spray combustion characteristics

An increasin g interest in biofuel applications in modern engines requires a better understanding of biodiesel combustion behaviour. Many numerical studies have been carried out on unsteady combustion of biodiesel in situations similar to diesel engines, but very few studies have been done on the steady combustion of biodiesel in situations similar to a gas turbine combustor environment. The study of biodiesel spray combustion in gas turbine applications is of special interest due to the possible use of biodiesel in the power generation and aviation industries. In modelling spray combustion, an accurate representation of the physical properties of the fuel is a first important step, since spray formation is largely influenced by fuel properties such as viscosity, density, surface tension and vapour pressure. In the present work, a calculated biodiesel properties database based on the measured composition of Fatty Acid Methyl Esters (FAME) has been implemented in a multi-dimensional Computational Fluid Dynamics (CFD) spray simulation code. Simulations of non-reacting and reacting atmospheric-pressure sprays of both diesel and biodiesel have been carried out using a spray burner configuration for which experimental data is available. A pre-defined droplet size probability density function (pdf) has been implemented together with droplet dynamics based on phase Doppler anemometry (PDA) measurements in the near-nozzle region. The gas phase boundary condition for the reacting spray cases is similar to that of the experiment which employs a plain air-blast atomiser and a straight-vane axial swirler for flame stabilisation. A reaction mechanism for heptane has been used to represent the chemistry for both diesel and biodiesel. Simulated flame heights, spray characteristics and gas phase velocities have been found to compare well with the experimental results. In the reacting spray cases, biodiesel shows a smaller mean droplet size compared to that of diesel at a constant fuel mass flow rate. A lack of sensitivity towards different fuel properties has been observed based on the non-reacting spray simulations, which indicates a need for improved models of secondary breakup. By comparing the results of the non-reacting and reacting spray simulations, an improvement in the complexity of the physical modelling is achieved which is necessary in the understanding of the complex physical processes involved in spray combustion simulation. Copyright © 2012 SAE International.

Statistics of reaction progress variable and mixture fraction gradients from DNS of turbulent partially premixed flames

Statistically planar turbulent partially premixed flames for different initial intensities of decaying turbulence have been simulated for global equivalence ratios = 0.7 and 1.0 using three-dimensional, simplified chemistry-based direct numerical simulations (DNS). The simulation parameters are chosen such that the flames represent the thin reaction zones regime combustion. A random bimodal distribution of equivalence ratio is introduced in the unburned gas ahead of the flame to account for the mixture inhomogeneity. The results suggest that the probability density functions (PDFs) of the mixture fraction gradient magnitude |Δξ| (i.e., P(|Δξ|)) can be reasonably approximated using a log-normal distribution. However, this presumed PDF distribution captures only the qualitative nature of the PDF of the reaction progress variable gradient magnitude |Δc| (i.e., P(|Δc|)). It has been found that a bivariate log-normal distribution does not sufficiently capture the quantitative behavior of the joint PDF of |Δξ| and |Δc| (i.e., P(|Δξ|, |Δc|)), and the agreement with the DNS data has been found to be poor in certain regions of the flame brush, particularly toward the burned gas side of the flame brush. Moreover, the variables |Δξ| and |Δc| show appreciable correlation toward the burned gas side of the flame brush. These findings are corroborated further using a DNS data of a lifted jet flame to study the flame geometry dependence of these statistics. © 2013 Copyright Taylor and Francis Group, LLC.

Modal dynamics of self-excited azimuthal instabilities in an annular combustion chamber

In this paper we describe the time-varying amplitude and its relation to the global heat release rate of self-excited azimuthal instabilities in a simple annular combustor operating under atmospheric conditions. The combustor was modular in construction consisting of either 12, 15 or 18 equally spaced premixed bluff-body flames around a fixed circumference, enabling the effect of large-scale interactions between adjacent flames to be investigated. High-speed OH* chemiluminescence imaged from above the annulus and pressure measurements obtained at multiple locations around the annulus revealed that the limit cycles of the modes are degenerate in so much as they undergo continuous transitions between standing and spinning modes in both clockwise (CW) and anti-clockwise (ACW) directions but with the same resonant frequency. Similar behaviour has been observed in LES simulations which suggests that degenerate modes may be a characteristic feature of self-excited azimuthal instabilities in annular combustion chambers. By modelling the instabilities as two acoustic waves of time-varying amplitude travelling in opposite directions we demonstrate that there is a statistical prevalence for either standing m=1 or spinning m=±1 modes depending on flame spacing, equivalence ratio, and swirl configuration. Phase-averaged OH* chemiluminescence revealed a possible mechanism that drives the direction of the spinning modes under limit-cycle conditions for configurations with uniform swirl. By dividing the annulus into inner and outer annular regions it was found that the spin direction coincided with changes in the spatial distribution of the peak heat release rate relative to the direction of the bulk swirl induced along the annular walls. For standing wave modes it is shown that the globally integrated fluctuations in heat release rate vary in magnitude along the acoustic mode shape with negligible contributions at the pressure nodes and maximum contributions at the pressure anti-nodes. © 2013.

Azimuthal instabilities in annular combustors: Standing and spinning modes

This theoretical study investigates spinning and standing modes in azimuthally symmetric annular combustion chambers. Both modes are observed in experiments and simulations, and an existing model predicts that spinning modes are the only stable state of the system. We extend this model to take into account the effect that the acoustic azimuthal velocity, u, has on the flames, and propose a phenomenological model based on experiments performed on transversely forced flames. This model contains a parameter, ä, that quantifies the influence that the transversal excitation has on the fluctuating heat release. For small values of ä, spinning modes are the only stable state of the system. In an intermediate range of ä, both spinning and standing modes are stable states. For large values of ä, standing modes are the only stable state. This study shows that a flame's response to azimuthal velocity fluctuations plays an important role in determining the type of thermoacoustic oscillations found in annular combustors. © 2013 The Authors.

Nonlinear thermoacoustics of ducted premixed flames: The influence of perturbation convection speed

When a premixed flame is placed within a duct, acoustic waves induce velocity perturbations at the flame's base. These travel down the flame, distorting its surface and modulating its heat release. This can induce self-sustained thermoacoustic oscillations. Although the phase speed of these perturbations is often assumed to equal the mean flow speed, experiments conducted in other studies and Direct Numerical Simulation (DNS) conducted in this study show that it varies with the acoustic frequency. In this paper, we examine how these variations affect the nonlinear thermoacoustic behaviour. We model the heat release with a nonlinear kinematic G-equation, in which the velocity perturbation is modelled on DNS results. The acoustics are governed by linearised momentum and energy equations. We calculate the flame describing function (FDF) using harmonic forcing at several frequencies and amplitudes. Then we calculate thermoacoustic limit cycles and explain their existence and stability by examining the amplitude-dependence of the gain and phase of the FDF. We find that, when the phase speed equals the mean flow speed, the system has only one stable state. When the phase speed does not equal the mean flow speed, however, the system supports multiple limit cycles because the phase of the FDF changes significantly with oscillation amplitude. This shows that the phase speed of velocity perturbations has a strong influence on the nonlinear thermoacoustic behaviour of ducted premixed flames. © 2013 The Combustion Institute.

A novel theoretical approach to passive control of thermo-acoustic oscillations: Application to ducted heat sources

In this paper, we develop a linear technique that predicts how the stability of a thermo-acoustic system changes due to the action of a generic passive feedback device or a generic change in the base state. From this, one can calculate the passive device or base state change that most stabilizes the system. This theoretical framework, based on adjoint equations, is applied to two types of Rijke tube. The first contains an electrically-heated hot wire and the second contains a diffusion flame. Both heat sources are assumed to be compact so that the acoustic and heat release models can be decoupled. We find that the most effective passive control device is an adiabatic mesh placed at the downstream end of the Rijke tube. We also investigate the effects of a second hot wire and a local variation of the cross-sectional area but find that both affect the frequency more than the growth rate. This application of adjoint sensitivity analysis opens up new possibilities for the passive control of thermo-acoustic oscillations. For example, the influence of base state changes can be combined with other constraints, such as that the total heat release rate remains constant, in order to show how an unstable thermo-acoustic system should be changed in order to make it stable. Copyright © 2013 by ASME.