Browsing by Subject "Large eddy simulation"

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    Adaptive and convergent methods for large eddy simulation of turbulent combustion
    (2014-08) Heye, Colin Russell; Raman, Venkat
    In the recent past, LES methodology has emerged as a viable tool for modeling turbulent combustion. LES computes the large scale mixing process accurately, thereby providing a better starting point for small-scale models that describe the combustion process. Significant effort has been made over past decades to improve accuracy and applicability of the LES approach to a wide range of flows, though the current conventions often lack consistency to the problems at hand. To this end, the two main objectives of this dissertation are to develop a dynamic transport equation-based combustion model for large- eddy simulation (LES) of turbulent spray combustion and to investigate grid- independent LES modeling for scalar mixing. Long-standing combustion modeling approaches have shown to be suc- cessful for a wide range of gas-phase flames, however, the assumptions required to derive these formulations are invalidated in the presence of liquid fuels and non-negligible evaporation rates. In the first part of this work, a novel ap- proach is developed to account for these evaporation effects and the resulting multi-regime combustion process. First, the mathematical formulation is de- rived and the numerical implementation in a low-Mach number computational solver is verified against one-dimensional and lab scale, both non-reacting and reacting spray-laden flows. In order to clarify the modeling requirements in LES for spray combustion applications, results from a suite of fully-resolved direct numerical simulations (DNS) of a spray laden planar jet flame are fil- tered at a range of length scales. LES results are then validated against two sets of experimental jet flames, one having a pilot and allowing for reduced chemistry modeling and the second requiring the use of detail chemistry with in situ tabulation to reduce the computational cost of the direct integration of a chemical mechanism. The conventional LES governing equations are derived from a low-pass filtering of the Navier-Stokes equations. In practice, the filter used to derive the LES governing equations is not formally defined and instead, it is assumed that the discretization of LES equations will implicitly act as a low-pass filter. The second part of this study investigates an alternative derivation of the LES governing equations that requires the formal definition of the filtering operator, known as explicitly filtered LES. It has been shown that decoupling the filter- ing operation from the underlying grid allows for the isolation of subfilter-scale modeling errors from numerical discretization errors. Specific to combustion modeling are the aggregate errors associated with modeling sub-filter distribu- tions of scalars that are transported by numerical impacted turbulent fields. Quantities of interest to commonly-used combustion models, including sub- filter scalar variance and filtered scalar dissipation rate, are investigated for both homogeneous and shear-driven turbulent mixing.
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    Large eddy simulation of TiOā‚‚ nanoparticle evolution in turbulent flames
    (2011-12) Sung, Yonduck; Moser, Robert deLancey; Raman, Venkat; Ezekoye, Ofodike A.; Matthews, Ronald D.; Clemens, Noel T.
    Flame based synthesis is a major manufacturing process of commercially valuable nanoparticles for large-scale production. However, this important industrial process has been advanced mostly by trial-and-error based evolutionary studies owing to the fact that it involves tightly coupled multiphysics flow phenomena. For large scale synthesis of nanoparticles, different physical and chemical processes exist, including turbulence, fuel combustion, precursor oxidation, and nanoparticle dynamics exist. A reliable and predictive computational model based on fundamental physics and chemistry can provide tremendous insight. Development of such comprehensive computational models faces challenges as they must provide accurate descriptions not only of the individual physical processes but also of the strongly coupled, nonlinear interactions among them. In this work, a multiscale computational model for flame synthesis of TiO2 nanoparticles in a turbulent flame reactor is presented. The model is based on the large-eddy simulation (LES) methodology and incorporates detailed gas phase combustion and precursor oxidation chemistry as well as a comprehensive nanoparticle evolution model. A flamelet-based model is used to model turbulence-chemistry interactions. In particular, the transformation of TiCl4 to the solid primary nucleating TiO2 nanoparticles is represented us- ing an unsteady kinetic model considering 30 species and 70 reactions in order to accurately describe the critical nanoparticle nucleation process. The evolution of the TiO2 number density function is tracked using the quadrature method of moments (QMOM) for univariate particle number density function and conditional quadrature method of moments (CQMOM) for bivariate density distribution function. For validation purposes, the detailed computational model is compared against experimental data obtained from a canonical flame- based titania synthesis configuration, and reasonable agreement is obtained.
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    LES/PDF approach for turbulent reacting flows
    (2012-12) Donde, Pratik Prakash; Raman, Venkat; Clemens, Noel; Ezekoye, Ofodike; Goldstein, David; Moser, Robert
    The probability density function (PDF) approach is a powerful technique for large eddy simulation (LES) based modeling of turbulent reacting flows. In this approach, the joint-PDF of all reacting scalars is estimated by solving a PDF transport equation, thus providing detailed information about small-scale correlations between these quantities. The objective of this work is to further develop the LES/PDF approach for studying flame stabilization in supersonic combustors, and for soot modeling in turbulent flames. Supersonic combustors are characterized by strong shock-turbulence interactions which preclude the application of conventional Lagrangian stochastic methods for solving the PDF transport equation. A viable alternative is provided by quadrature based methods which are deterministic and Eulerian. In this work, it is first demonstrated that the numerical errors associated with LES require special care in the development of PDF solution algorithms. The direct quadrature method of moments (DQMOM) is one quadrature-based approach developed for supersonic combustion modeling. This approach is shown to generate inconsistent evolution of the scalar moments. Further, gradient-based source terms that appear in the DQMOM transport equations are severely underpredicted in LES leading to artificial mixing of fuel and oxidizer. To overcome these numerical issues, a new approach called semi-discrete quadrature method of moments (SeQMOM) is formulated. The performance of the new technique is compared with the DQMOM approach in canonical flow configurations as well as a three-dimensional supersonic cavity stabilized flame configuration. The SeQMOM approach is shown to predict subfilter statistics accurately compared to the DQMOM approach. For soot modeling in turbulent flows, an LES/PDF approach is integrated with detailed models for soot formation and growth. The PDF approach directly evolves the joint statistics of the gas-phase scalars and a set of moments of the soot number density function. This LES/PDF approach is then used to simulate a turbulent natural gas flame. A Lagrangian method formulated in cylindrical coordinates solves the high dimensional PDF transport equation and is coupled to an Eulerian LES solver. The LES/PDF simulations show that soot formation is highly intermittent and is always restricted to the fuel-rich region of the flow. The PDF of soot moments has a wide spread leading to a large subfilter variance. Further, the conditional statistics of soot moments conditioned on mixture fraction and reaction progress variable show strong correlation between the gas phase composition and soot moments.
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    Modeling turbulence using optimal large eddy simulation
    (2012-05) Chang, Henry, 1976-; Moser, Robert deLancey; Engquist, Bjorn; Ghattas, Omar; Hughes, Thomas J.; Raman, Venkat
    Most flows in nature and engineering are turbulent, and many are wall-bounded. Further, in turbulent flows, the turbulence generally has a large impact on the behavior of the flow. It is therefore important to be able to predict the effects of turbulence in such flows. The Navier-Stokes equations are known to be an excellent model of the turbulence phenomenon. In simple geometries and low Reynolds numbers, very accurate numerical solutions of the Navier-Stokes equations (direct numerical simulation, or DNS) have been used to study the details of turbulent flows. However, DNS of high Reynolds number turbulent flows in complex geometries is impractical because of the escalation of computational cost with Reynolds number, due to the increasing range of spatial and temporal scales. In Large Eddy Simulation (LES), only the large-scale turbulence is simulated, while the effects of the small scales are modeled (subgrid models). LES therefore reduces computational expense, allowing flows of higher Reynolds number and more complexity to be simulated. However, this is at the cost of the subgrid modeling problem. The goal of the current research is then to develop new subgrid models consistent with the statistical properties of turbulence. The modeling approach pursued here is that of "Optimal LES". Optimal LES is a framework for constructing models with minimum error relative to an ideal LES model. The multi-point statistics used as input to the optimal LES procedure can be gathered from DNS of the same flow. However, for an optimal LES to be truly predictive, we must free ourselves from dependence on existing DNS data. We have done this by obtaining the required statistics from theoretical models which we have developed. We derived a theoretical model for the three-point third-order velocity correlation for homogeneous, isotropic turbulence in the inertial range. This model is shown be a good representation of DNS data, and it is used to construct optimal quadratic subgrid models for LES of forced isotropic turbulence with results which agree well with theory and DNS. The model can also be filtered to determine the filtered two-point third-order correlation, which describes energy transfer among filtered (large) scales in LES. LES of wall-bounded flows with unresolved wall layers commonly exhibit good prediction of mean velocities and significant over-prediction of streamwise component energies in the near-wall region. We developed improved models for the nonlinear term in the filtered Navier-Stokes equation which result in better predicted streamwise component energies. These models involve (1) Reynolds decomposition of the nonlinear term and (2) evaluation of the pressure term, which removes the divergent part of the nonlinear models. These considerations significantly improved the performance of our optimal models, and we expect them to apply to other subgrid models as well.
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    Numerical errors in subfilter scalar variance models for large eddy simulation of turbulent combustion
    (2009-05) Kaul, Colleen Marie, 1983-; Raman, Venkat; Clemens, Noel T.
    Subfilter scalar variance is a key quantity for scalar mixing at the small scales of a turbulent flow and thus plays a crucial role in large eddy simulation (LES) of combustion. While prior studies have mainly focused on the physical aspects of modeling subfilter variance, the current work discusses variance models in conjunction with numerical errors due to their implementation using finite difference methods. Because of the prevalence of grid-based filtering in practical LES, the smallest filtered scales are generally under-resolved. These scales, however, are often important in determining the values of subfilter models. A priori tests on data from direct numerical simulation (DNS) of homogenous isotropic turbulence are performed to evaluate the numerical implications of specific model forms in the context of practical LES evaluated with finite differences. As with other subfilter quantities, such as kinetic energy, subfilter variance can be modeled according to one of two general methodologies. In the first of these, an algebraic equation relating the variance to gradients of the filtered scalar field is coupled with a dynamic procedure for coefficient estimation. Although finite difference methods substantially underpredict the gradient of the filtered scalar field, the dynamic method is shown to mitigate this error through overestimation of the model coefficient. The second group of models utilizes a transport equation for the subfilter variance itself or for the second moment of the scalar. Here, it is shown that the model formulation based on the variance transport equation is consistently biased toward underprediction of the subfilter variance. The numerical issues stem from making discrete approximations to the chain rule manipulations used to derive convective and diffusive terms in the variance transport equation associated with the square of the filtered scalar. This set of approximations can be avoided by solving the equation for the second moment of the scalar, suggesting that model's numerical superiority.
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    Subfilter scalar variance modeling for large eddy simulation
    (2011-08) Kaul, Colleen Marie, 1983-; Raman, Venkat; Clemens, Noel T.; Moser, Robert D.; Ezekoye, Ofodike A.; Varghese, Philip L.
    Accurate models for the mixing of fuel and oxidizer at small, unresolved flow length scales are critical to the predictive skill of large eddy simulation (LES) of turbulent combustion. Subfilter scalar variance and subfilter scalar dissipation rate are important parameters in combustion modeling approaches based on a conserved scalar, but are prone to numerical and modeling errors due to the nature of practical LES computations. This work examines the errors incurred in these models using a novel method that couples LES scalar modeling with direct numerical simulation (DNS) of homogeneous isotropic turbulence and offers modeling and numerical techniques to address these errors. In the coupled DNS-LES method, DNS velocity fields are evolved simultaneously with LES scalar fields. The filtered DNS velocities are supplied to the LES scalar equations, instead of solving the LES momentum equations. This removes the effect of errors in the filtered scalar evolution from the scalar modeling analysis. Results obtained using the coupled DNS-LES approach, which permits detailed study of physics-related and numerical errors in scalar modeling, show that widely used algebraic dynamic models for subfilter scalar variance lack accuracy due to faulty equilibrium modeling assumptions and sensitivity to numerical error. Transport equation models for variance show superior performance, provided that the scalar dissipation rate model coefficient is set appropriately. For this purpose, a new dynamic approach for nonequilibrium modeling of subfilter scalar dissipation rate is developed and validated through a priori tests in an inhomogeneous jet flow and using the coupled DNS-LES method for assessment of numerical error effects. Explicit filtering is assessed as means to control numerical error in LES scalar modeling and the scalar equations are reformulated to account for the explicit filtering technique. Numerical convergence of the mean subfilter scalar variance prediction with increasing grid resolution is demonstrated.