In this study we highlight the influence of mean dilatation and mean density gradient on the Reynolds stress modeling of compressible, heat-releasing and supercritical turbulent flows.Firstly, the modeling of the rapid pressure-strain correlation has been extended to self-consistently account for the influence of mean dilatation.Secondly, an algebraic model for the turbulent density flux has been developed and coupled to the tensor equationfor Reynolds stress anisotropy via a 'local mean acceleration',a generalization of the buoyancy force. We applied the resulting differential Reynolds stress model (DRSM) and the corresponding explicit algebraic Reynolds stress model (EARSM) to homogeneously sheared and compressed or expanded two-dimensional mean flows. Both formulations have shown that our model preserves the realizability of the turbulence, meaning that the Reynolds stresses do not attain unphysical values, unlike earlier approaches. Comparison with rapid distortion theory (RDT) demonstrated that the DRSM captures the essentials of the transient behaviour of the diagonal anisotropies and gives good predictions of the turbulence kinetic energy. A general three-dimensional solution to the coupled EARSM  has been formulated. In the case of turbulent flow in de Laval nozzle we investigated the influence of compressibility effects and demonstrated that the different calibrations lead to different turbulence regimes but with retained realizability. We calibrated our EARSM against a DNS of combustion in a wall-jet flow. Correct predictions of turbulent density fluxes have been achieved and essential features of the anisotropy behaviour have been captured.The proposed calibration keeps the model free of singularities for the cases studied. In addition,  we have applied the EARSM to the investigation of supercritical carbon dioxide flow in an annulus. The model correctly captured mean enthalpy, temperature and density as well as the turbulence shear stress. Hence, we consider the model as a useful tool for the analysis of a wide range of compressible flows with large density variation. / <p>QC 20160314</p>

Thermal cracking is an industrial process sensitive to both temperature and pressure operating conditions. The use of internally ribbed reactors is a passive method to enhance the chemical selectivity of the process, thanks to a significant increase of heat transfer. However, this method also induces an increase in pressure loss, which is damageable to the chemical yield and must be quantified. Because of the complexity of turbulence and chemical kinetics, and as detailed experimental measurements are difficult to conduct, the real advantage of such geometries in terms of selectivity is however poorly known and difficult to assess. This work aims both at evaluating the real benefits of internally ribbed reactors in terms of chemical yields and at proposing innovative and optimized reactor designs. This is made possible using the Large Eddy Simulation (LES) approach, which allows to study in detail the reactive flow inside several reactor geometries. The AVBP code, which solves the Navier-Stokes compressible equations for turbulent flows, is used in order to simulate thermal cracking thanks to a dedicated numerical methodology. In particular, the effect of pressure loss and heat transfer on chemical conversion is compared for both a smooth and a ribbed reactor in order to conclude about the impact of wall roughness in industrial operating conditions. An optimization methodology, based on series of LES and Gaussian process, is finally developed and an innovative reactor design for thermal cracking applications, which maximizes the chemical yield, is proposed

Experiments and simulations were performed to examine the complex processes that occur in Rayleigh�Taylor driven mixing. A water channel facility was used to examine a buoyancy-driven Rayleigh�Taylor mixing layer. Measurements of �uctuating den- sity statistics and the molecular mixing parameter were made for Pr = 7 (hot/cold water) and Sc 103 (salt/fresh water) cases. For the hot/cold water case, a high- resolution thermocouple was used to measure instantaneous temperature values that were related to the density �eld via an equation of state. For the Sc 103 case, the degree of molecular mixing was measured by monitoring a di�usion-limited chemical reaction between the two �uid streams. The degree of molecular mixing was quanti- �ed by developing a new mathematical relationship between the amount of chemical product formed and the density variance 02. Comparisons between the Sc = 7 and Sc 103 cases are used to elucidate the dependence of on the Schmidt number. To further examine the turbulent mixing processes, a direct numerical simu- lation (DNS) model of the Sc = 7 water channel experiment was constructed to provide statistics that could not be experimentally measured. To determine the key physical mechanisms that in�uence the growth of turbulent Rayleigh�Taylor mixing layers, the budgets of the exact mean mass fraction em1, turbulent kinetic energy fE00, turbulent kinetic energy dissipation rate e 00, mass fraction variance gm002 1 , and mass fraction variance dissipation rate f 00 equations were examined. The budgets of the unclosed turbulent transport equations were used to quantitatively assess the relative magnitudes of di�erent production, dissipation, transport, and mixing processes. Finally, three-equation (fE00-e 00-gm002 1 ) and four-equation (fE00-e 00-gm002 1 -f 00) turbulent mixing models were developed and calibrated to predict the degree of molecular mix- ing within a Rayleigh�Taylor mixing layer. The DNS data sets were used to assess the validity of and calibrate the turbulent viscosity, gradient-di�usion, and scale- similarity closures a priori. The modeled transport equations were implemented in a one-dimensional numerical simulation code and were shown to accurately reproduce the experimental and DNS results a posteriori. The calibrated model parameters from the Sc = 7 case were used as the starting point for determining the appropri- ate model constants for the mass fraction variance gm002 1 transport equation for the Sc 103 case.

We explore the capability of lattice Boltzmann equation (LBE) method for complex fluid flows involving turbulence, mixing, and reaction. In the first study, LBE schemes for binary scalar mixing and multi-component reacting flow with reactions are developed. Simulations of initially non-premixed mixtures yield scalar probability distribution functions that are in good agreement with numerical data obtained from Navier-Stokes (NS) equation based computation. One-dimensional chemically-reacting flow simulation of a premixed mixture yields a flame speed that is consistent with experimentally determined value. The second study involves direct numerical simulation (DNS) and large-eddy simulation (LES) of decaying homogenous isotropic turbulence (HIT) with and without frame rotation. Three categories of simulations are performed: (i) LBE-DNS in both inertial and rotating frames; (ii) LBE-LES in inertial frame; (iii) Comparison of the LBE-LES vs. NS-LES. The LBE-DNS results of the decay exponents for kinetic energy k and dissipation rate &#949;, and the low wave-number scaling of the energy spectrum agree well with established classical results. The LBE-DNS also captures rotating turbulence physics. The LBE-LES accurately captures low-wave number scaling, energy decay and large scale structures. The comparisons indicate that the LBE-LES simulations preserve flow structures somewhat more accurately than the NS-LES counterpart. In the third study, we numerically investigate the near-field mixing features in low aspect-ratio (AR) rectangular turbulent jets (RTJ) using the LBE method. We use D3Q19 multiple-relaxation-time (MRT) LBE incorporating a subgrid Smagorinsky model for LES. Simulations of four jets which characterized by AR, exit velocity, and Reynolds number are performed. The investigated near-field behaviors include: (1) Decay of mean streamwise velocity (MSV) and inverse MSV; (2) Spanwise and lateral profiles of MSV; (3) Half-velocity width development and MSV contours; and (4) Streamwise turbulence intensity distribution and spanwise profiles of streamwise turbulence intensity. The computations are compared against experimental data and the agreement is good. We capture both unique features of RTJ: the saddle-back spanwise profile of MSV and axis-switching of long axis from spanwise to lateral direction. Overall, this work serves to establish the feasibility of the LBE method as a viable tool for computing mixing, combustion, and turbulence.

A comprehensive set of experimental and numerical comparisons of the performance of two self-reacting point absorber wave energy converter (WEC) designs is undertaken in typical operating conditions. The designs are either currently, or have recently been, under development for commercialization. The experiments consist of a series of 1:25 scale model tests to quantify hydrodynamic parameters, motion dynamics, and power conversion. Each WEC is given a uniquely optimized power take off damping level. For hydrodynamic parameter identification, an optimization based method to simultaneously extract Morison drag and Coulomb friction coefficients from decay tests of under-damped, floating bodies is developed. The physical model features a re-configurable reacting body shape, a feedback controlled power take-off, a heave motion constraint system, and a mooring apparatus. A theoretical upper bound on power conversion for single body WECs, called Budal's upper bound, is extended to two body WECs. The numerical analyses are done in three phases. In the first phase, the WECs are constrained to heave motion and subjected to monochromatic waves. Quantitative comparisons are made of the WEC designs in terms of heave motion dynamics and power conversion with reference to theoretical upper bounds. Design implications of a reactive power take-off control scheme and relative motion constraints on the wave energy converters are investigated using an experimentally validated, frequency domain, numerical dynamics model. In the second phase, the WECs are constrained to heave motion and subjected to panchromatic waves. A time domain numerical model, validated by the experimental results, is used to compare the WECs in terms of power matrices, capture width matrices, and mean annual energy production. Results indicate that the second WEC design can convert 30% more energy, on average, than the first design given the conditions at a representative location near the West coast of Vancouver Island, British Columbia, Canada. In the last phase, the WECs are held with three legged, horizontal, moorings and subjected to monochromatic waves. Numerical simulations using panelized body geometries for calculations of Froude-Krylov, Morison drag, and hydrostatic loads are developed in ProteusDS. The simulation results---mechanical power, mooring forces, and dynamic motions---are compared to model test results. The moored WEC designs exhibit power conversion consistent with heave motion constrained results in some wave conditions. However, large pitch and roll motions severely degrade the power conversion of each WEC at wave frequencies equal to twice the pitch natural frequency. Using simulations, vertical stabilizing strakes, attached to the reacting bodies of the WECs are shown to increase the average power conversion up to 190% compared to the average power conversion of the WECs without strakes. / Graduate / scottb@uvic.ca

In this thesis, chemically reacting flows are studied mainly for detonation problems under 1D, cylindrical and spherical symmetry conditions. The mathematical formulation of chemically reacting, inviscid, unsteady flows with species conservation equations and finite-rate chemistry is described. The Euler equations with finite-rate chemistry are discretized by Finite-Volume method and solved implicitly by using a time-spliting method. Inviscid fluxes are computed using Roe Flux Difference Splitting Model. The numerical solution is implemented in parallel using domain decomposition and PVM library routines for inter-process communication. The solution algorithm is validated first against the numerical and experimental data for a shock tube problem with and without chemical reactions and for a cylindrical and spherical propagation of a shock wave. 1D, cylindrically and spherically symmetric detonations of H2:O2:Ar mixture are studied next.

Ce travail a pour but de comparer les approches de simulation numérique des grandes échelles explicite (LES) et implicite (ILES) pour un jet turbulent non-réactif ou réactif d’hydrogène à grande vitesse dans un co-courant d’air, typique d’un super-statoréacteur. La résolution des calculs va de 32 × 32 × 128 à 256 × 256 × 1024, à l’aide d’un schéma WENO d’ordre 5. Les LES explicites emploient les modèles sous-maille de Smagorinsky et de Fonction de Structure Sélective, associés au transport moléculaire. Les LES implicites sont réalisées avec et sans modèle de transport moléculaire, en résolvant les équations de Navier- Stokes ou d’Euler. Dans le cas non-réactif, le modèle de Smagorinsky est trop dissipatif. Le modèle de Fonction de Structure Sélective améliore les résultats, sans faire mieux que l’approche ILES quelle que soit la résolution. Dans le cas réactif, une coupure physique visqueuse est indispensable pour fixer une épaisseur à la flamme, et assurer la convergence en maillage de l’approche ILES. On montre aussi que les résultats LES/ILES sont moins sensibles aux conditions d’injection que ceux de l’approche RANS. Le premier chapitre est une introduction générale au contexte de l’étude. Au second chapitre, on rappelle les équations générales pour un écoulement réactif et on détaille les modèles thermodynamique et de transport retenus. Au troisième chapitre, les équations de la LES et les modèles sous-maille sont présentés. On examine également quelques propriétés du schéma numérique. Le chapitre 4 est consacré à la méthode numérique et au code de calcul. Enfin, on présente les cas-tests et on discute les résultats au chapitre 5. / This work is intended to compare Large Eddy Simulation and Implicit Large Eddy Simulation (LES and ILES) for a turbulent, non-reacting or reacting high speed H2 jet in co-flowing air, typical of scramjet engines. Numerical simulations are performed at resolutions ranging from 32 × 32 × 128 to 256 × 256 × 1024, using a 5th order WENO scheme. Physical LES are carried out with the Smagorinsky and the Selective Structure Function models associated to molecular diffusion. Implicit LES are performed with and without molecular diffusion, by solving either the Navier-Stokes or the Euler equations. In the nonreacting case, the Smagorinsky model is too dissipative. The Selective Structure Function leads to better results, but does not show any superiority compared to ILES, whatever the grid resolution. In the reacting case, a molecular viscous cut-off in the simulation is mandatory to set a physical width for the reaction zone in the ILES approach, hence to achieve grid-convergence. It is also found that LES/ILES are less sensitive to the inlet conditions than the RANS approach. The first chapter is an introduction to the context of this study. In the second chapter, the governing equations for multispecies reacting flows are presented, with emphasis on the thermodynamic and transport models. In the third chapter, physical LES equations and explicit sub-grid modeling strategies are detailed. Some properties of the numerical scheme are also investigated. In chapter four, the numerical scheme and some aspects of the solver are explained. Finally, non-reacting and reacting numerical experiments are presented and the results are discussed.

No description available.

Modern gas turbine designs often include lean premixed combustion for its emissions benefits; however, this type of combustion process is susceptible to self-excited combustion instabilities that can lead to damaging heat loads and system vibrations. This study focuses on identifying a mechanism of combustion instability of a reacting jet in cross flow, a flow feature that is widely used in the design of gas turbine combustion systems. Experimental results from a related study are used to validate and complement three numerical tools that are applied in this study – self-excited Large Eddy Simulations, 3D thermoacoustic modeling, and 1D instability modeling. Based on the experimental and numerical results, a mechanism was identified that included a contribution from the jet in cross flow impedance as well as an overall jet flame time lag. The jet impedance is simply a function of the acoustic properties of the geometry while the flame time lag can be separated into jet velocity, equivalence ratio, and strain fluctuations, depending on the operating conditions and setup. For the specific application investigated in this study, it was found that the jet velocity and equivalence ratio fluctuations are important, however, the effect of the strain fluctuations on the heat release are minimal due to the high operating pressure. A mathematical heat release model was derived based on the proposed mechanism and implemented into a 3D thermoacoustic tool as well as a 1D instability tool. A three-point stability trend observed in the experimental data was correctly captured by the 3D thermoacoustic tool using the derived heat release model. Stability maps were generated with the 1D instability tool to demonstrate regions of stable operation that can be achieved as a function of the proposed mechanism parameters. The relative effect of the reacting jet in cross flow on the two dominant unstable modes was correctly captured in the stability maps. While additional mechanisms for a reacting jet in cross flow are possible at differing flow conditions, the mechanism proposed in this study was shown to correctly replicate the stability trends observed in the experimental tests and provides a fundamental understanding that can be applied for combustion system design.

Particle-laden flows involve in many energy and industrial processes within a wide scale range. Solid fuel combustion and gasication, drying and catalytic cracking are some of the examples. It is vital to have a better understanding of the phenomena inside the reactors involving in particle-laden flows for process improvements and design. Computational fluid dynamics (CFD) can be a robust tool for these studies with its advantage over experimental methods. The large variation of length scales (101- 10-9 m) and time scales (days-microseconds) is a barrier to execute detailed simulations for large scale reactors. Current state-of-the-art is to use models to bridge the gap between small scales and large scales. Therefore, the accuracy of the models is key to better predictions in large scale simulations.    Particle-laden flows have complexities due to many reasons. One of the main challenge is to describe how the particle-fluid interaction varies when the particles are reacting. Particle and the fluid interact through mass, momentum and heat exchange. Mass, momentum and heat exchange is presented by the Sherwood number (Sh), drag coefficient (CD) and Nusselt number (Nu) in fluid dynamics. Currently available models do not take into account for the effects of net gas flow generated by heterogeneous chemical reactions. Therefore, the aim of this research is to propose new models for CD and Nu based on the flow and temperature fields estimated by particle-resolved direct numerical simulations (PR-DNS). Models have been developed based on physical interpretation with only one fitting parameter, which is related to the relationship between Reynolds number and the boundary layer thickness. The developed models were compared with the simulation results solving intra-particle flow under char gasification. The drawbacks of models were identied and improvements were proposed.    The models developed in this work can be used for the better prediction of flow dynamics in large scale simulations in contrast to the classical models which do not consider the effect of heterogeneous reactions. Better predictions will assist the design of industrial processes involving reactive particle-laden flows and make them highly effcient and low energy-intensive.