<p>This licentiate thesis describes development of modellingtools, experimental physical modelling and numerical modellingto simulate real combustion processes for advanced industrialutility boiler before and after retrofit.</p><p>The work presents extended study about formation,destruction and control of pollutants, especially NOx, whichoccur during combustion process.</p><p>The main aim of this work is to improve mixing process incombustion chamber. To do this, the optimization of placementand direction of additional air and fuel nozzles, the physicalmodelling technique is used. By using that method, it ispossible to obtain qualitative information about processes,which occur in the real boiler. The numerical simulationsverify the results from physical modelling, because duringmathematical modelling quantitative informations about flow andmixing patterns, temperature field, species concentration areobtained.</p><p>Two 3D cases, before and after retrofit, of pulverized fuelfired boiler at 125 MW output thermal power are simulated. Theunstructured mesh technique is also used to discretize theboiler. The number of grid was 427 656 before retrofit and 513362 after retrofit. The comparisons of results of numericalsimulation before and after retrofit are presented. The resultsfrom physical modelling and numerical simulation are alsoshown.</p><p>Results present that nozzles of additional air and fuel givea considerably better mixing process, uniform temperature fieldand CO2 mass fraction. The whole combustion chamber worksalmost as a "well stirred reactor", while upper part of boilerworks as a "plug flow reactor".</p><p>Differences between from measured of temperatures andpredicted temperatures are not too big, the maximum differenceis about 100 K. It seems, that calculated temperatures showgood agreement with measurement data.</p><p>The results illuminate the potential of physical andnumerical modelling methods as promising tools to deal with thecomplicated combustion processes, even for practicalapplication in the industry.</p><p><b>Keywords:</b>air staging, fuel staging, boiler, furnace,computational fluid dynamics, numerical simulation, pollutants,physical modeling, pulverized fuel combustion.</p>

The purpose of this thesis is to develop a comprehensive model analysis in a three-dimensional spatial frame for the dynamics of molecular particles in dilute colloidal suspensions in solutions flowing inside pores of variable width, subject to hydrodynamic forces, Brownian motion and diffusive collisions at the rough pore boundaries, by using numerical simulations. The approach by simulations is necessary because it is extremely complex to use analytical tools at present to deal with the problem of diffusive collisions of the particles at the solid pore boundaries. The algorithms which we have developed and the corresponding simulations are sufficiently general and refined to be directly applied to the study of the dynamics of a wide variety of polymer and biological particles in dilute solutions under diverse physical and applicable hydrodynamic conditions inside pores. Moreover, the mechanisms leading to the adhesion of particles of nano sizes under what would be non-equilibrium conditions, due to the conflicting influence of the mechanical diffusive collisions and the attractive Hamaker forces at the boundaries, are of major interest. We have hence investigated a theoretical model to calculate the restitution coefficient from basic physical principles. The objective is to quantify the energy balance during the process of a diffusive collision of a nano particle under the influence of the repulsive forces on one hand, and the attractive Hamaker forces acting on the nano particle on the other. This is done by developing a model, based on the JKR and Hertz theories, to account for the energy losses during collisions, and for the energy gains due to the Hamaker interactions. Adhesion becomes an outcome if the energy balance permits this. Our theoretical model is developed by proposing a special analytic approach based on the Hamaker potential. We derive from the theoretical analysis a characteristic nonlinear equation for the restitution coefficient, and analyze its properties which determine under given physical conditions the outcome for adhesion or not.

Direct Numerical Simulations (DNS) are performed to investigate laminar-turbulent transition in a boundary layer on a sharp cone at Mach 6. The main objective of this dissertation research is to explore which nonlinear breakdown mechanisms may be dominant in a broad--band "natural" disturbance environment and then use this knowledge to perform controlled transition simulations to investigate these mechanisms in great detail. Towards this end, a "natural" transition scenario was modeled and investigated by generating wave packet disturbances. The evolution of a three-dimensional wave packet in a boundary layer has typically been used as an idealized model for "natural" transition to turbulence, since it represents the impulse response of the boundary layer and, thus, includes the interactions between all frequencies and wave numbers. These wave packet simulations provided strong evidence for a possible presence of fundamental and subharmonic resonance mechanisms in the nonlinear transition regime. However, the fundamental resonance was much stronger than the subharmonic. In addition to these two resonance mechanisms, the wave packet simulations also indicated the possible presence of oblique breakdown mechanism. To gain more insight into the nonlinear mechanisms, controlled transition simulations were performed of these mechanisms. Several small and medium scale simulations were performed to scan the parameter space for fundamental and subharmonic resonance. These simulations confirmed the findings of the wave packet simulations, namely that, fundamental resonance is much stronger compared to the subharmonic resonance. Subsequently a set of highly resolved fundamental and oblique breakdown simulations were performed. In these DNS, remarkable streamwise arranged "hot'' streaks were observed for both fundamental and oblique breakdown. The streaks were a consequence of the large amplitude steady longitudinal vortex modes in the nonlinear régime. These simulations demonstrated that both second--mode fundamental breakdown and oblique breakdown may indeed be viable paths to complete breakdown to turbulence in hypersonic boundary layers at Mach 6.

The use of microfluidic tools to develop two novel approaches to surface-based oligonucleotide hybridization assays has been explored. In one of these approaches, immobilized oligonucleotide probes on a glass surface of a microfluidic channel were able to quantitatively hybridize with oligonucleotide targets that were electrokinetically injected into the channel. Quantitative oligonucleotide analysis was achieved in seconds, with nM detection limits and a dynamic range of 3 orders of magnitude. Hybridization was detected by the use of fluorescently labeled target. The fluorescence intensity profile evolved as a gradient that could be related to concentration, and was a function of many factors including hybridization reaction rate, convective delivery speed, target concentration and target diffusion coefficient. It was possible to acquire kinetic information from the static fluorescence intensity profile to distinguish target concentration, and the length and base-pair mismatches of target sequences. Numerical simulations were conducted for the system, and fit well with the experimental data. In a second approach, a solid-phase nucleic acid assay was developed using immobilized Quantum Dot (QD) bioprobes. Hybridization was used to immobilize QDs that had been coated with oligonucleotides having two different sequences. The hybridization of one oligonucleotide sequence conjugated to a QD (a linker sequence) with a complementary sequence that was covalently attached to a glass substrate of a microfluidic channel was shown to be an immobilization strategy that offered flexibility in assay design, with intrinsic potential for quantitative replacement of the sensing chemistry by control of stringency. A second oligonucleotide sequence conjugated to the immobilized QDs provided for the selective detection of target nucleic acids. The microfluidic environment offered the ability to manipulate flow conditions for control of stringency and increasing the speed of analytical signal by introduction of convective delivery of target sequences to the immobilized QDs. This work introduces a stable and adaptable immobilization strategy that facilitates solid-phase QD-bioprobe assays in microfluidic platforms.

The dissertation investigates typical operation modes of the heat storage tank in the small-scale cogeneration (CHP) plant, analyses formation of thermal stratifi-cation in such storage tank and presents the simulation of the stratification. The main aim of the dissertation is to investigate peculiarities of operation modes of heat storage tank in small-scale CHP plant, develop an algorithm allowing to choose the storage tank volume and present a model allowing determination of thermal stratification in the storage tank at any time of its operation. / Disertacijoje nagrinėjami būdingi šilumos akumuliacinės talpos veikimo režimai, susiformuojantys nedidelės galios kogeneracinėje jėgainėje, tiriamas šiluminės stratifikacijos susidarymas tokioje talpoje ir atliekamas jos modeliavimas. Pagrindinis disertacijos tikslas – ištirti nedidelės galios kogeneracinės jėgainės šilumos akumuliacinės talpos veikimo režimų ypatumus, sudaryti algoritmą, padedantį parinkti tokios talpos tūrį ir pateikti modelį, leidžiantį nustatyti šiluminę stratifikaciją akumuliacinėje talpoje bet kuriuo jos veikimo metu.

Numerical simulation is becoming increasingly used to support theoretical effort into understanding the turbulence problem. We develop theoretical ideas related to the transfer and dissipation of energy, which clarify long-standing issues with the energy balance in isotropic turbulence. These ideas are supported by results from large scale numerical simulations. Due to the large number of degrees of freedom required to capture all the interacting scales of motion, the increase in computational power available has only recently allowed flows of interest to be realised. A parallel pseudo-spectral code for the direct numerical simulation (DNS) of isotropic turbulence has been developed. Some discussion is given on the challenges and choices involved. The DNS code has been extensively benchmarked by reproducing well established results from literature. The DNS code has been used to conduct a series of runs for freely-decaying turbulence. Decay was performed from a Gaussian random field as well as an evolved velocity field obtained from forced simulation. Since the initial condition does not describe developed turbulence, we are required to determine when the field can be considered to be evolved and measurements are characteristic of decaying turbulence. We explore the use of power-law decay of the total energy and compare with the use of dynamic quantities such as the peak dissipation rate, maximum transport power and velocity derivative skewness. We then show how this choice of evolved time affects the measurement of statistics. In doing so, it is found that the Taylor dissipation surrogate, u^3 / L, is a better surrogate for the maximum inertial flux than dissipation. Stationary turbulence has also been investigated, where we ensure that the energy input rate remains constant for all runs and variation is only introduced by modifying the fluid viscosity (and lattice size). We present results for Reynolds numbers up to Rλ = 335 on a 1024^3 lattice. Using different methods of vortex identification, the persistence of intermittent structure in an ensemble average is considered and shown to be reduced as the ensemble size increases. The longitudinal structure functions are computed for smaller lattices directly from an ensemble of realisations of the real-space velocity field. From these, we consider the generalised structure functions and investigate their scaling exponents using direct analysis and extended self-similarity (ESS), finding results consistent with the literature. An exploitation of the pseudo-spectral technique is used to calculate second- and third-order structure functions from the energy and transfer spectra, with a comparison presented to the real-space calculation. An alternative to ESS is discussed, with the second-order exponent found to approach 2/3. The dissipation anomaly is then considered for both forced and free-decay. Using different choices of the evolved time for a decaying simulation, we show how the behaviour of the dimensionless dissipation coefficient is affected. The Karman-Howarth equation (KHE) is studied and a derivation of a work term presented using a transformation of the Lin equation. The balance of energy represented by the KHE is then investigated using the pseudo-spectral method mentioned above. The consequences of this new input term for the structure functions are discussed. Based on the KHE, we develop a model for the behaviour of the dimensionless dissipation coefficient that predicts Cɛ= Cɛ(∞)+CL/RL. DNS data is used to fit the model. We find Cɛ(∞) = 0.47 and CL = 19.1 for forced turbulence, with excellent agreement to the data. Theoretical methods based on the renormalization group and statistical closures are still being developed to study turbulence. The dynamic RG procedure used by Forster, Nelson and Stephen (FNS) is considered in some detail and a disagreement in the literature over the method and results is resolved here. An additional constraint on the loop momentum is shown to cause a correction to the viscosity increment such that all methods of evaluation lead to the original result found by FNS. The application of statistical closure and renormalized perturbation theory is discussed and a new two-time model probability density functional presented. This has been shown to be self-consistent to second order and to reproduce the two-time covariance equation of the local energy transfer (LET) theory. Future direction of this work is discussed.

This work is concerned with stability and receptivity analysis as well as studies on control of the laminar-turbulent transition in boundary-layer flows through direct numerical simulations. Various flow configurations are considered to address flow around straight and swept wings. The aim of this study is to contribute to a better understanding of stability characteristics and different means of transition control of such flows which are of great interest in aeronautical applications. Acoustic receptivity of flow over a finite-thickness flat plate with elliptic leading edge is considered. The objective is to compute receptivity coefficient defined as the relative amplitude of acoustic disturbances and TS wave. The existing results in the literature for this flow case plot a scattered image and are inconclusive. We have approached this problem in both compressible and incompressible frameworks and used high-order numerical methods. Our results have shown that the generally-accepted level of acoustic receptivity coefficient for this flow case is one order of magnitude too high. The continuous increase of computational power has enabled us to perform global stability analysis of three-dimensional boundary layers. A swept flat plate of FSC type boundary layer with surface roughness is considered. The aim is to determine the critical roughness height for which the flow becomes turbulent. Global stability characteristics of this flow have been addressed and sensitivity of such analysis to domain size and numerical parameters have been discussed. The last flow configuration studied here is infinite swept-wing flow. Two numerical set ups are considered which conform to wind-tunnel experiments where passive control of crossflow instabilities is investigated. Robustness of distributed roughness elements in the presence of acoustic waves have been studied. Moreover, ring-type plasma actuators are employed as virtual roughness elements to delay laminar-turbulent transition. / <p>QC 20161124</p>

Micrometer injection moulding is a type of moulding in which moulds have geometrical design features on a micrometer scale that must be transferred to the geometry of the produced part. The difficulties encountered due to very high shear and rapid heat transfer of these systems has motivated this investigation into the fundamental mathematics behind polymer heat transfer and associated processes. The aim is to derive models for polymer dynamics, especially heat dynamics, that are considerably less approximate than the ones used at present, and to translate this into simulation and optimisation algorithms and strategies, Thereby allowing for greater control of the various polymer processing methods at micrometer scales.

Mémoire numérisé par la Division de la gestion de documents et des archives de l'Université de Montréal.

Il est probable qu'à terme les émissions de nanoparticules soient réglementées et ce sont donc les concentrations en nombre qui seront considérées. Il convient donc d'adapter les modèles afin de pouvoir simuler correctement les concentrations en nombre, dans les ambiances confinées comme dans l'atmosphère. Un modèle de dynamique des particules capable de suivre avec autant de précision la concentration en nombre que la concentration en masse, avec un temps de calcul optimal, a été développé. La dynamique des particules dépend de divers processus, les plus importants étant la condensation/évaporation, suivie par la nucléation, la coagulation, et les phénomènes de dépôts. Ces processus sont bien connus pour les particules fines et grossières, mais dans le cas des nanoparticules, certains phénomènes additionnels doivent être pris en compte, notamment l'effet Kelvin pour la condensation/ évaporation et les forces de van der Waals pour la coagulation. Le travail a tout d'abord porté sur le processus de condensation/évaporation, qui s'avère être le plus compliqué numériquement. Les particules sont présumées sphériques. L'effet Kelvin est pris en compte car il devient considérable pour les particules de diamètre inférieur à 50 nm. Les schémas numériques utilisés reposent sur une approche sectionnelle : l'échelle granulométrique des particules est discrétisée en sections, caractérisées par un diamètre représentatif. Un algorithme de répartition des particules est utilisé, après condensation/évaporation, afin de conserver les diamètres représentatifs à l'intérieur de leurs sections respectives. Cette redistribution peut se faire en terme de masse ou de nombre. Un des points clé de l'algorithme est de savoir quelle quantité, de la masse ou du nombre, doit être redistribuée. Une approche hybride consistant à répartir la quantité dominante dans la section de taille considérée (le nombre pour les nanoparticules et la masse pour les particules fines et grossières) a été mise en place et a permis d'obtenir une amélioration de la précision du modèle par rapport aux algorithmes existants, pour un large choix de conditions. Le processus de coagulation pour les nanoparticules a aussi été résolu avec une approche sectionnelle. La coagulation est régie par le mouvement brownien des nanoparticules. Pour cette approche, il a été constaté qu'il est plus efficace de calculer le noyau de coagulation en utilisant le diamètre représentatif de la section plutôt que de l'intégrer sur la section entière. Les simulations ont aussi pu montrer que les interactions de van der Waals amplifient fortement le taux de coagulation pour les nanoparticules. La nucléation a été intégrée au modèle nouvellement développé en incorporant un terme source de nanoparticules dans la première section, commençant à un nanomètre. La formulation de ce taux de nucléation correspond à celle de l'acide sulfurique mais le traitement des interactions numériques entre nucléation, coagulation et condensation/évaporation est générique. Différentes stratégies de couplage visant à résoudre séparément ou en même temps les trois processus sont discutées. Afin de pouvoir proposer des recommandations, différentes méthodes numériques de couplage ont été développées puis évaluées par rapport au temps de calcul et à la précision obtenue en terme de concentration massique et numérique / It is necessary to adapt existing models in order to simulate the number concentration, and correctly account for nanoparticles, in both free and confined atmospheres. A model of particle dynamics capable of following accurately the number as well as the mass concentration of particles, with an optimal calculation time, has been developed. The dynamics of particles depends on various processes, the most important ones being condensation/evaporation, followed by nucleation, coagulation, and deposition phenomena. These processes are well-known for fine and coarse particles, but some additional phenomena must be taken into account when applied to nanoparticles, such as the Kelvin effect for condensation/evaporation and the van der Waals forces for coagulation. This work focused first on condensation/evaporation, which is the most numerically challenging process. Particles were assumed to be of spherical shape. The Kelvin effect has been taken into account as it becomes significant for particles with diameter below 50 nm. The numerical schemes are based on a sectional approach : the particle size range is discretized in sections characterized by a representative diameter. A redistribution algorithm is used, after condensation/ evaporation occurred, in order to keep the representative diameter between the boundaries of the section. The redistribution can be conducted in terms of mass or number. The key point in such algorithms is to choose which quantity has to be redistributed over the fixed sections. We have developed a hybrid algorithm that redistributes the relevant quantity for each section. This new approach has been tested and shows significant improvements with respect to most existing models over a wide range of conditions. The process of coagulation for nanoparticles has also been solved with a sectional approach. Coagulation is monitored by the brownian motion of nanoparticles. This approach is shown to be more efficient if the coagulation rate is evaluated using the representative diameter of the section, rather than being integrated over the whole section. Simulations also reveal that the van derWaals interactions greatly enhance coagulation of nanoparticles. Nucleation has been incorporated into the newly developed model through a direct source of nanoparticles in the first size section, beginning at one nanometer. The formulation of this rate of nucleation corresponds to that of sulfuric acid but the treatment of the numerical interactions between nucleation, coagulation and condensation/evaporation is generic. Various strategies aiming to solve separately or jointly these three processes are discussed. In order to provide recommendations, several numerical splitting methods have been implemented and evaluated regarding their CPU times and their accuracy in terms of number and mass concentrations