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Machine learning techniques to predict the flame state, temperature and species concentrations in counter-flow diffusion flames operated with CH4/CO/H2-air mixtures

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Abstract

The usage of artificial intelligence (AI) is increasing in many fields of research, since complex physical problems can be ‘learned’ and reproduced by AI methods. Thus, instead of numerically solving partial differential equations, describing the physical processes in detail, appropriate AI methods can be used to decrease the calculation time significantly. In the present study, artificial neural networks (ANNs) were used to predict temperature and species concentrations in a laminar counter-flow diffusion flame. To improve the accuracy of the ANNs, a support vector machine (SVM) was used to subdivide the wide range of operating conditions (air–fuel ratio, strain rate, fuel mixture) into ‘flame’ and ‘no flame’ cases. Due to classification with the SVM the prediction performance of the ANNs was optimized and an average error to the reference values (GRI3.0) below 10 K for all cases was detected, whereas the calculation time was decreased by a factor of about 4,800 (solving the transport equations with GRI3.0).

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This work presents the design of a large eddy simulation based on the flamelet-generated manifolds (FGM) approach to evaluate a Sandia Flame D, which is a turbulent non-premixed piloted jet flame. The detailed kinetic mechanism of the Gas Research Insititute (GRI3.0, which contains 53 species and 325 elementary reactions), as well as a reduced mechanism, are employed to describe combustion. This reduced mechanism, containing 19 species and 68 elementary reactions, is proposed based on the direct relation graphs with error-propagation (DRGEP) method and a species sensitivity analysis from the GRI3.0. Both the two mechanisms are introduced into Fluent to simulate a Sandia Flame D, and the numerical results are in good agreement with the experimental data, which indicates the accurate predictive capability of the LES/FGM method in combustion modeling and that the proposed reduced mechanism can be applied to the numerical simulation in practical engineering problems.
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The present work optimizes the global chemical mechanism of methane MILD combustion from Jones and Lindestedt (Combust. Flame 1988, 73, 233-49), named “JL”, using artificial neural network (ANN) for computational fluid dynamics (CFD) simulations. Such an optimized JL mechanism , abbreviated “JL-ANN”, is obtained by ANN-searching for the optimal reaction parameters that lead to the results matching those from GRI-Mech 3.0, the detailed mechanism for burning methane, in plug flow reactor (PFR). This JL-ANN mechanism is then checked by comparing its performance with that of GRI-Mech 3.0 and those of previous JL mechanisms whose reaction parameters were refined, in various CFD simulations against experimental measurements available for reference. Results demonstrate that JL-ANN performs significantly better than all previous JL mechanisms for numerical simulations of both a nonpremixed methane-jet flame in hot coflow and the in-furnace MILD combustion. Therefore, the ANN method can be considered as a promising tool in optimizing various global mechanisms of combustion chemistry for CFD simulations of MILD combustion or any mode of combustion.
Article
Combustion instability is a well-known problem in the combustion processes and closely linked to lower combustion efficiency and higher pollutant emissions. Therefore, it is important to monitor combustion stability for optimizing efficiency and maintaining furnace safety. However, it is difficult to establish a robust monitoring model with high precision through traditional data-driven methods, where prior knowledge of labeled data is required. This study proposes a novel approach for combustion stability monitoring through stacked sparse autoencoder based deep neural network. The proposed stacked sparse autoencoder is firstly utilized to extract flame representative features from the unlabeled images, and an improved loss function is used to enhance the training efficiency. The extracted features are then used to identify the classification label and stability index through clustering and statistical analysis. Classification and regression models incorporating the stacked sparse autoencoder are established for the qualitative and quantitative characterization of combustion stability. Experiments were carried out on a gas combustor to establish and evaluate the proposed models. It has been found that the classification model provides an F1-score of 0.99, whilst the R-squared of 0.98 is achieved through the regression model. Results obtained from the experiments demonstrated that the stacked sparse autoencoder model is capable of extracting flame representative features automatically without having manual interference. The results also show that the proposed model provides a higher prediction accuracy in comparison to the traditional data-driven methods and also demonstrates as a promising tool for monitoring the combustion stability accurately.
Article
This paper presents an experimental study on flue gas temperature (FGT) and emissions estimation in home-type nut coal-fired burner. The proposed method does not require prior knowledge of Charge-Coupled Device (CCD) camera features. Therefore, it can be applied easily without costly and complex adaptation requirement to control the combustion process. In the proposed system, the flame image was taken with a CCD camera. At the same time, reference temperature and emissions were taken with flue gas analyzer. Combustion characteristics were extracted by image processing techniques from each two-color channels of the flame image. When the features were obtained, instead of converting the flame image to grayscale and obtaining the general features, local feature extraction was preferred from each of the two-color channels that express the combustion process better. For this process, the image was divided into local windows and individual features for each two-color channel was extracted. The optimum number of windows was decided by experimental investigation. The features were obtained by using the spectral norm of the region of interest. The obtaining image features were used to train the Artificial Neural Network (ANN) regression model which predicted the FGT and emissions. Estimation accuracy (correlation coefficient (R)) of developed FGT prediction model is 0.99. The emission prediction models estimate SO 2, O 2 , NO x , CO 2 and CO emissions with = R 0.97, = R 0.96, = R 0.77, = R 0.96, and = R 0.87 accuracies, respectively. The experimental results show that the FGT and emissions can be estimated by the flame image.
Article
It is common practice to decay the learning rate. Here we show one can usually obtain the same learning curve on both training and test sets by instead increasing the batch size during training. This procedure is successful for stochastic gradient descent (SGD), SGD with momentum, Nesterov momentum, and Adam. It reaches equivalent test accuracies after the same number of training epochs, but with fewer parameter updates, leading to greater parallelism and shorter training times. We can further reduce the number of parameter updates by increasing the learning rate $\epsilon$ and scaling the batch size $B \propto \epsilon$. Finally, one can increase the momentum coefficient $m$ and scale $B \propto 1/(1-m)$, although this tends to slightly reduce the test accuracy. Crucially, our techniques allow us to repurpose existing training schedules for large batch training with no hyper-parameter tuning. We train Inception-ResNet-V2 on ImageNet to $77\%$ validation accuracy in under 2500 parameter updates, efficiently utilizing training batches of 65536 images.
Article
In this work, a methodology for the tabulation of combustion mechanisms via Artificial Neural Networks (ANNs) is presented. The objective of the methodology is to train the ANN using samples generated via an abstract problem, such that they span the composition space of a family of combustion problems. The abstract problem in this case is an ensemble of laminar flamelets with an artificial pilot in mixture fraction space to emulate ignition, of varying strain rate up to well into the extinction range. The composition space thus covered anticipates the regions visited in a typical simulation of a non-premixed flame. The ANN training consists of two-stage process: clustering of the composition space into subdomains using the Self-Organising Map (SOM) and regression within each subdomain via the multilayer Perceptron (MLP). The approach is then employed to tabulate a mechanism of CH4–air combustion, based on GRI 1.2 and reduced via Rate-Controlled Constrained Equilibrium (RCCE) and Computational Singular Perturbation (CSP). The mechanism is then applied to simulate the Sydney flame L, a turbulent non-premixed flame that features significant levels of local extinction and re-ignition. The flow field is resolved through Large Eddy Simulation (LES), while the transported probability density function (PDF) approach is employed for modelling the turbulence–chemistry interaction and solved numerically via the stochastic fields method. Results demonstrate reasonable agreement with experiments, indicating that the SOM-MLP approach provides a good representation of the composition space, while the great savings in CPU time allow for a simulation to be performed with a comprehensive combustion model, such as the LES-PDF, with modest CPU resources such as a workstation.
Article
Oxygen enhanced combustion (OEC) techniques are supposed to be a fuel saving alternative to conventional air-fired combustion, due to the reduction or removal of nitrogen from the combustion system, which causes a higher flame temperature and radiation intensity. Therefore, more heat is available in OEC for heating, melting and annealing processes, and subsequently, increases the process efficiency. The main aim of the present study is the numerical investigation of different reaction mechanisms under air-fuel and oxy-fuel conditions using 1D simulation of laminar counter-flow diffusion flames. The mechanisms are further used in 3D CFD simulation with the steady laminar flamelet model for the development of a time efficient numerical approach, applicable in air-fuel and OEC. Three skeletal reaction mechanisms were tested and compared to the GRI3.0 mechanism. The calculated temperatures and species concentrations revealed that a skeletal mechanism with 17 species and 25 reversible reactions predicts a faster fuel conversion into the reaction products under oxy-fuel conditions, which leads to higher temperatures in the flame compared to the GRI3.0. Sensitivity analysis showed that two reversible reactions are mainly responsible for the faster fuel conversion. Furthermore, the reaction mechanisms investigated, were used for 3D CFD simulation of a lab-scale furnace under different OEC conditions and air-fuel combustion. Up to concentrations of 30% O2 in the O2/N2 mixture, all reaction mechanisms were able to predict the temperatures in the furnace with a close accordance to measured data. With higher oxygen enrichment levels, only the mentioned skeletal mechanism with 25 reactions calculated good results, whereas the GRI3.0 failed for oxy-fuel combustion.
Conference Paper
Boilers based on combustion of biomass become widely used as a heating source nowadays. The modern ones are typically controlled automatically. The control algorithm of those boilers is crucial in reaching optimal operational conditions by means of maximal efficiency and minimal environmental impact. On the other hand, the acquisition costs of these advanced devices should be maintained at reasonable level. This paper deals with implementation of modern proper control algorithm and obtaining the necessary input values that cannot be easily measured operationally by a direct measurement.
Conference Paper
The present work reports a way of using Artificial Neural Networks for modeling and integrating the governing chemical kinetics differential equations of Jones’ reduced chemical mechanism for methane combustion. The chemical mechanism is applicable to both diffusion and premixed laminar flames. A feed-forward multi-layer neural network is incorporated as neural network architecture. In order to find sets of input-output data, for adapting the neural network’s synaptic weights in the training phase, a thermochemical analysis is embedded to find the chemical species mole fractions. An analysis of computational performance along with a comparison between the neural network approach and other conventional methods, used to represent the chemistry, are presented and the ability of neural networks for representing a non-linear chemical system is illustrated.
Article
In this study a 5-step reduced chemical kinetic mechanism involving nine species is developed for combustion of Blast Furnace Gas (BFG), a multi-component fuel containing CO/H2/CH4/CO2, typically with low hydrogen, methane and high water fractions, for conditions relevant for stationary gas-turbine combustion. This reduced mechanism is obtained from a 49-reaction skeletal mechanism which is a modified subset of GRI Mech 3.0. The skeletal and reduced mechanisms are validated for laminar flame speeds, ignition delay times and flame structure with available experimental data, and using computational results with a comprehensive set of elementary reactions. Overall, both the skeletal and reduced mechanisms show a very good agreement over a wide range of pressure, reactant temperature and fuel mixture composition.
Article
This work investigates the structure of a diffusion flame in terms of lengthscales, scalar dissipation, and flame orientation by using large eddy simulation. This has been performed for a turbulent, non-premixed, piloted methane/air jet flame (Flame D) at a Reynolds-number of 22,400. A steady flamelet model, which was represented by artificial neural networks, yields species mass fractions, density, and viscosity as a function of the mixture fraction. This will be shown to suffice to simulate such flames. To allow to examine scalar dissipation, a grid of 1.97×106 nodes was applied that resolves more than 75% of the turbulent kinetic energy. The accuracy of the results is assessed by varying the grid-resolution and by comparison to experimental data by Barlow, Frank, Karpetis, Schneider (Sandia, Darmstadt), and others. The numerical procedure solves the filtered, incompressible transport equations for mass, momentum, and mixture fraction. For subgrid closure, an eddy viscosity/diffusivity approach is applied, relying on the dynamic Germano model. Artificial turbulent inflow velocities were generated to feature proper one- and two-point statistics. The results obtained for both the one- and two-point statistics were found in good agreement to the experimental data. The PDF of the flame orientation shows the tilting of the flame fronts towards the centerline. Finally, the steady flamelet approach was found to be sufficient for this type of flame unless slowly reacting species are of interest.
Article
The laminar flamelet concept is used in the prediction of mean reactive scalars in a non-premixed turbulent CH4/H2/N2 flame. First, a databank for temperature and species concentrations is developed from the solutions of counter-flow diffusion flames. The effects of flow field on flamelets are considered by using mixture fraction and scalar dissipation rate. Turbulence–chemistry interactions are taken into account by integrating different quantities based on a presumed probability density function (PDF), to calculate the Favre-averaged values of scalars. Flamelet library is then generated. To interpolate in the generated library, one artificial neural network (ANN) is trained where the mean and variance of mixture fraction and the scalar dissipation rate are used as inputs, and species mean mass fractions and temperature are selected as outputs. The weights and biases of this ANN are implemented in a CFD flow solver code, to estimate mean values of the scalars. Results reveal that ANN yields good predictions and the computational time has decreased as compared to numerical integration for the estimation of mean thermo-chemical variables in the CFD code. Predicted thermo-chemical quantities are close to those from experimental measurements but some discrepancies exist, which are mainly due to the assumption of non-unity Lewis number in the calculations.
Article
Large-eddy simulations (LES) of the Sydney bluff-body swirl-stabilized methane–hydrogen flame are performed, employing two chemistry representation methods, namely a conventional structured tabulation technique and artificial neural networks (ANNs). A generalized method for the generation of optimal artificial networks (OANNs) has been proposed by Ihme et al. [M. Ihme, A.L. Marsden, H. Pitsch, Neural Comput. 20 (2) (2008) 573–601]. This method is, for the first time, applied in LES of turbulent reactive flows, guaranteeing an optimal chemistry representation with error control, which was previously not possible. The network performance with respect to accuracy, data retrieval time, and storage requirements is compared with the structured tabulation of increasing resolution, and effects of long-time error accumulation on the statistical results during a numerical simulation are discussed. Using the optimization algorithm, it is demonstrated that ANN accuracies can be achieved which are comparable with structured tables of moderate to fine resolution. Furthermore, it is shown that for a comparable number of synaptic weights, the network fitness increases with increasing number of hidden layers. Compared to the tabulation technique, data retrieval from the network is computationally more expensive; however, the additional overhead associated with the ANN evaluation remains acceptable in LES applications. Results for flow field statistics and scalar quantities which are obtained from LES are in good agreement with experimental data, and possible reasons for the differences between computed and measured temperature profiles near the bluff-body are discussed. The difference in the velocity statistics between simulations employing structured table and network representation are small, and deviations in the CO2 profiles on the fuel-rich side of the flame are mainly attributed to the sensitivity of CO2 with respect to changes in progress variable.
Article
A novel modular connectionist architecture is presented in which the networks composing the architecture compete to learn the training patterns. An outcome of the competition is that different networks learn different training patterns and, thus, learn to compute different functions. The architecture performs task decomposition in the sense that it learns to partition a task into two or more functionally independent tasks and allocates distinct networks to learn each task. In addition, the architecture tends to allocate to each task the network whose topology is most appropriate to that task. The architecture's performance on “what” and “where” vision tasks is presented and compared with the performance of two multilayer networks. Finally, it is noted that function decomposition is an underconstrained problem, and, thus, different modular architectures may decompose a function in different ways. A desirable decomposition can be achieved if the architecture is suitably restricted in the types of functions that it can compute. Finding appropriate restrictions is possible through the application of domain knowledge. A strength of the modular architecture is that its structure is well suited for incorporating domain knowledge.
Article
A large eddy simulation (LES) sub-grid model is developed based on the artificial neural network (ANN) approach to calculate the species instantaneous reaction rates for multi-step, multi-species chemical kinetics mechanisms. The proposed methodology depends on training the ANNs off-line on a thermo-chemical database representative of the actual composition and turbulence (but not the actual geometrical problem) of interest, and later using them to replace the stiff ODE solver (direct integration (DI)) to calculate the reaction rates in the sub-grid. The thermo-chemical database is tabulated with respect to the thermodynamic state vector without any reduction in the number of state variables. The thermo-chemistry is evolved by stand-alone linear eddy mixing (LEM) model simulations under both premixed and non-premixed conditions, where the unsteady interaction of turbulence with chemical kinetics is included as a part of the training database. The proposed methodology is tested in LES and in stand-alone LEM studies of three distinct test cases with different reduced mechanisms and conditions. LES of premixed flame–turbulence–vortex interaction provides direct comparison of the proposed ANN method against DI and ANNs trained on thermo-chemical database created using another type of tabulation method. It is shown that the ANN trained on the LEM database can capture the correct flame physics with accuracy comparable to DI, which cannot be achieved by ANN trained on a laminar premix flame database. A priori evaluation of the ANN generality within and outside its training domain is carried out using stand-alone LEM simulations as well. Results in general are satisfactory, and it is shown that the ANN provides considerable amount of memory saving and speed-up with reasonable and reliable accuracy. The speed-up is strongly affected by the stiffness of the reduced mechanism used for the computations, whereas the memory saving is considerable regardless.
Article
The laminar flamelet concept views a turbulent diffusion flame as an ensemble of laminar diffusion flamelets. Work relevant to the flamelet concept is spread over various fields in the literature: laminar flame studies, asymptotic analysis, theory of turbulence and percolation theory. This review tries to gather and integrate this material in order to derive a self-consistent formulation. Under the assumption of equal diffusivities a coordinate-free formulation of the flamelet structure is given. This assumption is relaxed and flow dependent effects are considered. It is shown that the steady laminar counterflow diffusion flame exhibits a very similar scalar structure as unsteady distorted mixing layers in a turbulent flow field. Therefore the counterflow geometry is proposed to be the most representative steady flow field to study chemistry models and molecular transport effects in laminar flamelets. The conserved scalar model is interpreted as the most basic flamelet structure. Non-equilibrium calculations are reviewed.The coupling between non-equilibrium chemistry and turbulence is achieved by the statistical description of two parameters: the mixture fraction and the instantaneous scalar dissipation rate. The hypothesis of statistical independence of these two parameters is discussed. Calculation methods for the marginal distributions are reviewed. It is shown how local quenching of diffusion flamelets leads to a reduction of burnable flamelets. However, there are burnable flamelets in a turbulent flame which are not reached by an ignition source. This phenomenon is described by percolation theory. Complementary approaches related to local quenching effects and connectedness are combined to derive criteria for the stabilization of lifted flames and to blow out. Further applications of the flamelet concept are reviewed and work to be done is discussed.
Article
Artificial intelligence (AI) systems are widely accepted as a technology offering an alternative way to tackle complex and ill-defined problems. They can learn from examples, are fault tolerant in the sense that they are able to handle noisy and incomplete data, are able to deal with non-linear problems, and once trained can perform prediction and generalization at high speed. They have been used in diverse applications in control, robotics, pattern recognition, forecasting, medicine, power systems, manufacturing, optimization, signal processing, and social/psychological sciences. They are particularly useful in system modeling such as in implementing complex mappings and system identification. AI systems comprise areas like, expert systems, artificial neural networks, genetic algorithms, fuzzy logic and various hybrid systems, which combine two or more techniques. The major objective of this paper is to illustrate how AI techniques might play an important role in modeling and prediction of the performance and control of combustion process. The paper outlines an understanding of how AI systems operate by way of presenting a number of problems in the different disciplines of combustion engineering. The various applications of AI are presented in a thematic rather than a chronological or any other order. Problems presented include two main areas: combustion systems and internal combustion (IC) engines. Combustion systems include boilers, furnaces and incinerators modeling and emissions prediction, whereas, IC engines include diesel and spark ignition engines and gas engines modeling and control. Results presented in this paper, are testimony to the potential of AI as a design tool in many areas of combustion engineering.
Article
. CVODE is a package written in C for solving initial value problems for ordinary differential equations. It provides the capabilities of two older Fortran packages, VODE and VODPK. CVODE solves both stiff and nonstiff systems, using variable-coefficient Adams and BDF methods. In the stiff case, options for treating the Jacobian of the system include dense and band matrix solvers, and a preconditioned Krylov (iterative) solver. In the highly modular organization of CVODE, the core integrator module is independent of the linear system solvers, and all operations on N-vectors are isolated in a module of vector kernels. A set of parallel extenstions of CVODE, called PVODE, is being developed. CVODE is available from Netlib, and comes with an extensive user guide. 1. Introduction. CVODE is a general-purpose solver for the initial value problem (IVP) for ordinary differential equation (ODE) systems. We write such an IVP abstractly as y = f(t; y); y(t 0 ) = y 0 ; y 2 R N ; (1) where y de...
Article
TASK DECOMPOSITION THROUGH COMPETITION IN A MODULAR CONNECTIONIST ARCHITECTURE September 1990 Robert A. Jacobs, B.A., University of Pennsylvania M.S., University of Massachusetts Ph.D., University of Massachusetts Directed by: Professor Andrew G. Barto A novel modular connectionist architecture is presented in which the networks composing the architecture compete to learn the training patterns. As a result of the competition, different networks learn different training patterns and, thus, learn to compute different functions. The architecture performs task decomposition in the sense that it learns to partition a task into two or more functionally independent vii tasks and allocates distinct networks to learn each task. In addition, the architecture tends to allocate to each task the network whose topology is most appropriate to that task, and tends to allocate the same network to similar tasks and distinct networks to dissimilar tasks. Furthermore, it can be easily modified so as to...
Estimation of excess air coefficient on coal combustion processes via gauss model and artificial neural network
  • Golgiyaz
But what is a neural network? - Chapter
  • G Sanderson
Sanderson G. But what is a neural network? | Chapter 1, Deep learning, URL https://www.youtube.com/watch?v=aircAruvnKk.