The occurrence of pharmaceuticals in aquatic environments originating from human consumption has received increased scientific attention during the last decades due to concerns regarding their combined environmental effects. This concerns stress the need of studies quantifying dissipation rates of pharmaceutical in aquatic ecosystems. The aims of this study were: i) to assess the degradation rates of trimethoprim (TPR), diphenhydramine (DPH), diclofenac (DCL), oxazepam (OXZ) and hydroxyzine (HDZ) in laboratory incubations, and ii) to compare laboratory assessment of dissipation rates with previously measured in situ half-lives of these drugs in a pond ecosystem. I hypothesized that the dissipation of these five drugs dissolved, in laboratory incubations, is affected by common environmental parameters such as temperature, UV-light, organic solutes and presences of sediments. In line with my hypothesis, all substances were affected by my treatments. Here, main parameters affecting the dissipation of the drugs were UV light and to a lesser temperature (i.e. through microbial degradation). All drugs were found to be affected by sediment sorption, especially HDZ where 95 % of the applied pharmaceutical was adsorbed. Laboratory estimate with highest environmental relevance (low TOC and 3 °C water temperature or low TOC, sediments and UV light) seemed to predict field estimates fairly well for all of the drugs beside OXZ and DCL. Given the strong adsorption for sediments seen in the laboratory incubations, it seems likely that the mismatch between laboratory inferred half-lives and the in situ half-lives for OXZ was likely caused by sediment exchange processes releasing drugs initially adsorbed to the sediments into water column over time.

Lean premixed combustion is at present one of the most promising methods to reduce emissions and to maintain high efficiency in combustion systems. As the emission legislation becomes more stringent, modelling of turbulent premixed combustion has become an important tool for designing efficient and environmentally friendlier combustion systems. However, in order to predict these emissions reliable predictive models are required. One of the methods used for predicting pollutants is the conditional moment closure (CMC), which is suitable to predict pollutants with slow time scales. Despite the fact that CMC has been successfully applied to various non-premixed combustion systems, its application to premixed flames is not fully tested and validated. The main difficulty is associated with the modelling of the conditional scalar dissipation rate (CSDR) of the conditioning scalar, the progress variable. In premixed CMC, this term is an important quantity and represents the rate of mixing at small scales of relevance for combustion. The numerical accuracy of the CMC method depends on the accuracy of the CSDR model. In this study, two different models for CSDR, an algebraic model and an inverse problem model, are validated using two different DNS data sets. The algebraic model along with standard k-ε turbulence modelling is used in the computations of stoichiometric and very lean pilot stabilized Bunsen flames using the RANS-CMC method. A first order closure is used for the conditional mean reaction rate. The computed nonreacting and reacting scalars are in reasonable agreement with the experiments and are consistent with earlier computations using flamlets and transported PDF methods for the stoichiometric flames, and transported PDF methods for the very lean flames. Sensitivity to chemical kinetics mechanism is also assessed.

Hot rolling process is heat input process. The heat energy in hot rolled steel coils can be utilized. At SSAB Strip Product Borlänge when the hot rolled steel coils came out of the hot rolling mill they are at the temperature range of 500°C to 800°C. Heat energy contained by the one hot rolled steel coil is about 1981Kwh whereas the total heat energy for the year 2008 is 230 GWh/year.The potential of heat is too much but the heat dissipation rate is too slow. Different factors on which heat dissipation rate depends are discussed.Three suggestions are proposed to collect the waste heat from hot rolled steel coils.The 2nd proposal in which water basin is suggested would help not only to collect the waste heat but to decrease in the cooling time.

Internal waves occur in the interface between two layers of fluids with density stratification. In order to better understand the characteristics of continuous internal waves, a series of experiments were conducted in a laboratory tank. The upper and lower layers are fresh water of 15 cm thick and salt water of 30 cm thick, respectively. The periods of internal waves are 2.5, 5.5 and 6.6 sec. A micro-ADV is used to measure velocity profiles. Wave profiles at the density interface and the free surface are monitored respectively by an ultrasonic and capacitance wave gauges. Our results indicate that particle velocities (u and w) above and below the density interface have opposite directions. The speed is peaked near the density interface and it becomes weaker further away from the interface. Empirical Mode Decomposition is used to remove noise from the observed particle velocities, and the period is consistent with those derived from the interface elevations. The observed particle velocities also compare favorably with the theoretical results. When internal waves propagate without the interference of a sloping bottom, the turbulence induced is rather insignificant. The turbulence is more significant only near the density interface. With the existence of a sloping bottom, the internal waves gradually shoal and deform, the crest becomes sharp and steep, finally the waves become unstable, break and overturn. In this study the effect of bottom slope and the steepness of internal waves on the reflectivity of incoming waves are investigated. The reflectivity is smaller with gentler slope, and it increases and reaches a constant value with steeper slopes. The observed energy dissipation rate£`is higher near the slope. Three methods were used to estimate the energy dissipation rate and shear stress; namely, the inertial dissipation, the TKE and auto-correlation method. The£` estimated from the auto-correlation method is larger than that from the other two methods, but their trend is similar. The energy dissipation rate is found to increase with a gentler sloping bottom.

Animal cells are often cultured in stirred tank reactors. Having no cell wall, these animal cells are very sensitive to the fluid mechanical stresses that result from agitation by the impeller and from the rising and bursting of bubbles, which are generated within the culture medium in the stirred tank to supply oxygen by mass transfer to the cells. If excessive, these fluid mechanical stresses can result in damage/death of animal cells. Stress due to the rising and bursting of bubbles can be avoided by using a gas-permeable membrane, in the form of a long coiled tube (with air passing through it) within the stirred tank, instead of air-bubbles to oxygenate the culture medium. Fluid mechanical stress due to impeller agitation can be controlled using appropriate impeller rotational speeds. The aim of this study was to lay the foundations for future work in which a correlation would be developed between cell damage/death and the fluid mechanical stresses that result from impeller agitation and bubbling. Such a correlation could be used to design stirred-tank reactors at any scale and to determine appropriate operating conditions that minimise cell damage/death due to fluid mechanical stresses. Firstly, a validated CFD model of a baffled tank stirred with a Rushton turbine was developed to allow fluid mechanical stresses due to impeller agitation to be estimated. In these simulations, special attention was paid to the turbulence energy dissipation rate, which has been closely linked to cell damage/death in the literature. Different turbulence models, including the k-ε, SST, SSG-RSM and the SAS-SST models, were investigated. All the turbulence models tested predicted the mean axial and tangential velocities reasonably well, but under-predicted the decay of mean radial velocity away from the impeller. The k-ε model predicted poorly the generation and dissipation of turbulence in the vicinity of the impeller. This contrasts with the SST model, which properly predicted the appearance of maxima in the turbulence kinetic energy and turbulence energy dissipation rate just off the impeller blades. Curvature correction improved the SST model by allowing a more accurate prediction of the magnitude and location of these maxima. However, neither the k-ε nor the SST models were able to properly capture the chaotic and three-dimensional nature of the trailing vortices that form downstream of the blades of the impeller. In this sense, the SAS-SST model produced more physical predictions. However,this model has some drawbacks for modelling stirred tanks, such as the large number of modelled revolutions required to obtain good statistical averaging for calculating turbulence quantities. Taking into consideration both accuracy and solution time, the SSG-RSM model was the least satisfactory model tested for predicting turbulent flow in a baffled stirred tank with a Rushton turbine. In the second part of the work, experiments to determine suitable oxygen transfer rates for culturing cells were carried out in a stirred tank oxygenated using either a sparger to bubble air through the culture medium or a gas-permeable membrane. Results showed that the oxygen transfer rates for both methods of oxygenation were always above the minimum oxygen requirements for culturing animal cells commonly produced in industry, although the oxygen transfer rate for air-bubbling was at-least 10 times higher compared with using a gas-permeable membrane. These results pave the way for future experiments, in which animal cells would be cultured in the stirred tank using bubbling and (separately) a gas-permeable membrane for oxygenation so that the effect of rising and bursting bubbles on cell damage/death rates can be quantified. The effect of impeller agitation on cell damage/death would be quantified by using the gas permeable membrane for oxygenation (to remove the detrimental effects of bubbling), and changing the impeller speed to observe the effect of agitation intensity. In the third and final part of this work, the turbulent flow in the stirred tank used in the oxygenation experiments was simulated using CFD. The SST turbulence model with curvature correction was used in these simulations, since it was found to be the most accurate model for predicting turbulence energy dissipation rate in a stirred tank. The predicted local maximum turbulence energy dissipation rate of 8.9x10¹ m2/s3 at a rotational speed of 900 rpm was found to be substantially less than the value of 1.98x10⁵ m2/s3 quoted in the literature as a critical value above which cell damage/death becomes significant. However, the critical value for the turbulence energy dissipation rate quoted in the literature was determined in a single-pass flow device, whereas animal cells in a stirred tank experience frequent exposure to high turbulence energy dissipation rates (in the vicinity of the impeller) due to circulation within the stirred tank and long culture times. Future cell-culturing experiments carried out in the stirred tank of this work would aim to determine a more appropriate critical value for the turbulence energy dissipation rate in a stirred tank, above which cell damage/death becomes a problem.

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No. of bitstreams: 1 TeseHS.pdf: 6507848 bytes, checksum: 467139021a2d6e49272a3197b75c3216 (MD5) Previous issue date: 2016-03-28 / Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) / Taylor-Vortex reactor (TVB) is fast becoming the next bioreactor to culture animal cells due to milder shear and homogeneous flow structures through-out the bioreactor in comparison to the traditional stirred vessels. However, there is little information in the literature for the TVB on the viscous energy dissipation rate (VEDR), which is considered the ideal parameter to characterize the cell death, and its geometrical aspects, which may affect the culture of animal cells resulting in poor efficiency. Consequently, this work focuses on: the estimation of the VEDR of mean flow and turbulent kinetic energy (TKE) using an experimental 2D particle image velocimetry (PIV) method and a computational fluid dynamics (CFD) method using different turbulence models, principally the direct numerical simulation (DNS) model; and, the impact of the off-bottom clearance area and the external cylinder’s bottom shape on the flow structures of TVB. Both numerical and experimental methods confirm that the bulk zone comprising of the 80 % of the gap-width, where the cell cultures will spend most of the time, has a near constant velocity magnitude of around 50 % of the tip velocity and VEDR values which are around 10 times lower than at the walls. Qualitatively, the DNS model predicted well the flow structure of both mean and turbulence parameters in comparison with the experimental PIV predictions. However, quantitatively only the mean velocity predictions are in good agreement with the PIV data with certain amount of under-estimation of the turbulence parameters. Among different turbulence models, the large eddy simulation (LES) - wall adapting local eddy-viscosity (WALE) model presented best comparison with the DNS model data for all the flow parameters; while, the Reynolds stress model and the LES-Smagorinsky models were the poorest. On the other hand, the Reynolds averaged Navier-Stokes (RANS) based two equation models estimated well the mean velocity components in comparison with the DNS model data, but could not capture well the flow structures of the turbulence components. The geometrical features of curved surface of outer bottom and off-bottom clearance area which are of practical importance in stirred vessels, impact adversely the flow structures in the TVB due to poor axial velocity component. In comparison with the spinner vessel, a stirred tank type bioeactor but with lower shear, for similar Re/ReT ratio, the maximum and mean VEDR were always found to be of lower magnitude values, and due to much less difference between the maximum and the mean values, the TVB presents more uniform structures in comparison to the spinner vessel. / O biorreator de Vórtices de Taylor (TVB) está se tornando uma nova descoberta, devido ao seu cisalhamento mais suave e fluxo homogêneo em comparações com os biorreatores de tanque agitados. Na literatura acadêmica há pouca informação sobre este biorreator quanto a taxa de dissipação de energia viscosa (VEDR), que é o parâmetro ideal para caracterizar a morte celular, e seus aspectos geométricos, que afetam o cultivo das células animais, resultando em baixa eficiência. A presente pesquisa, portanto, objetivou focar na estimativa da VEDR de fluxo médio e de energia cinética turbulenta (TKE) no TVB usando os métodos: experimental de 2D de velocimetria das partículas por imagem (PIV) e numérico de dinâmica de fluídos computacional (CFD) com diferentes modelos de turbulência, principalmente a simulação numérica direta (DNS). E focar nos aspectos geométricos do impacto da área de apuramento entre o cilindro interno e externo e na forma da base do cilindro externo na estrutura de fluxo do TVB. Os dois métodos experimental e numérico demonstraram que, em aproximadamente 80 % da área lateral entre os cilindros interno e externo onde as células vão passar a maior parte do tempo, a magnitude de velocidade é de cerca de 50 % da máxima e os valores de VEDR são 10 vezes menores do que nas paredes. Qualitativamente, o DNS mostrou boas comparações dos fluxos médios e dos parâmetros turbulentos em relação aos resultados apresentados pelo PIV para o TVB. No entanto, quantitativamente, apenas as previsões médias de velocidade estão em boa concordância com os dados do PIV, pois os parâmetros turbulentos foram sub-estimados. Entre os diferentes modelos de turbulência utilizados, o modelo simulação de grande escala (LES) - Wall Adapting Local Eddy-Viscosity apresentou a melhor comparação com os dados do DNS para todos os parâmetros do fluxo. O modelo de estresse Reynolds e LES - Smagorinsky, por sua vez, apresentaram as piores comparações. Os modelos de duas equações de RANS, entretanto, apesar de estimarem bem os componentes de velocidade média em comparação com os dados do modelo DNS, não captaram bem as estruturas de fluxo dos componentes de turbulência. Quanto aos aspectos geométricos, as alterações nas características da área de apuramento entre o cilindro interno e externo e a estrutura curva da base do cilindro externo, que são de importância prática em tanque agitados, neste estudo, afetaram negativamente o fluxo no TVB devido ao seu baixo componente de velocidade axial. Por fim, a comparação entre o TVB e o Spinner Flask, considerado também um biorreator com baixo cisalhamento, demostrou que para Re/ReT semelhante, os valores máximo e médio do VEDR foram sempre inferiores, e devido à diferença muito menor entre o os valores máximo e médio, o TVB apresenta estruturas mais uniformes em comparação com o Spinner Flask. / processo nº 140756/2012-4 ; processo nº - 241739/2012-8)

L'allumage d'ergols injectés dans une chambre de combustion, la propagation du noyau de flamme puis sa stabilisation sont autant de paramètres déterminants pour la conception d'un moteur fusée. Pour ce type d'application, il est nécessaire - du point de vue de la modélisation - de tenir compte du couplage existant entre les effets de compressibilité, les processus de mélange turbulent ainsi que de cinétique chimique, dans un environnement diphasique puisque les ergols sont injectés à l'état liquide. Un modèle Lagrangien a été implanté dans le code de calcul compressible N3S-Natur afin de disposer d'un outil numérique capable de simuler le transitoire d'allumage d'un moteur fusée. La physique représentative de chacun des processus physiques impliqués pendant la phase d'allumage a été incorporée puis validée sur des configurations académiques. Ce travail a permis de mettre en évidence l'importance de la description du mélange à petites échelles pour capturer correctement le développement de la flamme. Il a aussi mis en exergue la nécessité de prendre en compte le transitoire thermique des gouttes d'oxygène liquide afin de reproduire fidèlement sa stabilisation. Enfin, il a nécessité l'extension de la notion de fraction de mélange à des cas pratiques présentant plus de deux entrées afin d'être en mesure de simuler la propagation de l'allumage sur la plaque d'injection. Cette approche basée sur l'introduction d'un injecteur fictif est non seulement utile pour la simulation de l'allumage des moteurs-fusées mais peut aussi être employée dans tout autre système impliquant le mélange entre des courants de réactifs issus de deux entrées ou plus. / In the field of liquid rocket propulsion, ignition, propagation and stabilization of the flame are of first importance for the design of the engine. Computational fluid dynamics (CFD) solvers may provide a great deal of help to proceed with the primary design choice but need to be fed with suited physical models. Important modelling efforts are therefore required to provide reliable computational representations able to take into account compressibility effects, turbulent mixing and chemical kinetics in two-phase flows since ergols are injected at the liquid state. A Lagrangian model has been implemented in the compressible solver N3S-Natur so as to obtain a computational tool able to compute the transient ignition of rocket engines. The physical processes involved at each step of this ignition sequence have been integrated and validated on academically configurations. Three significant contributions rose from this work. First of all, it is highlighted that the description of the micro-mixing is of first importance to correctly capture the flame development. This study also emphasized the need to consider the transient heating of liquid oxygen droplets in order to accurately compute the flame stabilization. Finally, the notion of mixture fraction must be extended to practical devices implying more than two inlets. The proposed approach which is based on the introduction of a fictive injector is not only well suited to rocket engine ignition application but also to deal with other practical devices implying two inlets and more.

Understanding the physics of mixing for two fluids is a complicated problem and has always been an interesting phenomenon to study. Surface discharge is the oldest, least expensive and simplest way of discharging industrial or domestic wastewater into rivers and estuaries. Because of the lower degree of dilution in surface discharges, critical conditions are more likely to occur. Having a better understanding of the mixing phenomenon in these cases will help to predict the environmental effects more accurately. In this study, surface discharges of jets into waterbodies with or without crossflows were investigated numerically and experimentally. Three-dimensional (3-D) Computational Fluid Dynamics (CFD) models were developed for studying the surface discharge of jets into water bodies using different turbulence models. Reynolds stress turbulence models and spatially filtered Large Eddy Simulation (LES) were used in the numerical models. The effects of inclusion of free surface water in the CFD models on the performance of the numerical model results were investigated. Numerical model results were compared with the experimental data in the literature as well as the experimental works performed in this study. Experimental works for buoyant and non-buoyant surface discharge of jets into crossflow and stagnant water were conducted in this study. A new setup was designed and built in the Civil Engineering Hydraulics Laboratory at the University of Ottawa to perform the desired experiments. Stereoscopic Particle Image Velocimetry (Stereo-PIV) was used to measure the instantaneous spatial and temporal 3-D velocity distribution on several planes of measurement downstream of the jet with the frequency of 40 Hz. Averaged 3-D velocity distribution was extracted on different planes of measurement to show the transformation of the velocity vectors from a “jet-like” to a “plume-like” flow regime. Averaged 3-D velocity distribution and streamlines illustrated the flow transformation of the surface jets. Experimental results detected the formation and evolution of vortices in the surface jet’s flow structure over the measurement zone. Additional turbulent flow characteristics such as the turbulent kinetic energy (k), turbulent kinetic energy dissipation rate (ϵ), and turbulent eddy viscosity (υt) were calculated using the measured time history of the 3-D velocity field.

Conselho Nacional de Desenvolvimento Científico e Tecnológico / This study employed different autocorrelation functions and Maclaurin series expansions in the derivation of expressions describing the dissipation rate of turbulent kinetic energy. These expressions have the same functional form, but are described in terms of different numerical coefficients. The values obtained for the numerical coefficients were used in a Lagrangian stochastic dispersion model to simulate the dispersion of contaminants in the Planetary Boundary Layer (PBL). The simulation results were compared with concentration data observed in the Copenhagen experiment. The good performance of the parameterization and analysis through statistical indices showed that the mathematical relationships that describe the turbulent dissipation rate present an uncertainty. The analysis developed in this study indicates that there is no a universal functional form describing the dissipation rate of turbulent energy. / Neste estudo foram empregadas diferentes funções de autocorrelação e expansões em série de Maclaurin na derivação de expressões que descrevem a taxa de dissipação da energia cinética turbulenta. Estas expressões apresentam a mesma forma funcional, porém são descritas em termos de diferentes coeficientes numéricos. Os valores obtidos para os coeficientes numéricos foram empregados em um modelo de dispersão estocástico Lagrangiano para simular a dispersão de contaminantes na Camada Limite Planetária (CLP). Os resultados das simulações foram comparados com dados de concentração do experimento de Copenhagen. O bom desempenho da parametrização e a análise através de índices estatísticos permitiram concluir que as relações matemáticas que descrevem a taxa de dissipação da turbulenta, apresentam uma incerteza. A análise desenvolvida nesse estudo permite concluir que não existe uma forma funcional universal descrevendo a taxa de dissipação de energia turbulenta.

The influence of stratification on the structure of turbulent methane/air combustion is investigated using experimental data from laboratory scale burners: a weakly turbulent slot burner, and a higher turbulence co-annular swirl burner. The degree of stratification can be controlled independently of the overall fuel/air flow rate. The resulting measurements of scalar and velocity fields provide detailed test cases for existing and emerging turbulent flame models, covering a range of u'/sL from 1 to 10, turbulence intensities from 5% to 60%, and stratification ratios from 1 to 3. Simultaneous Rayleigh/Raman/CO-LIF measurements of temperature and major species concentrations - CH4, CO2, CO, H2, H2O and O2 - along a line are used to investigate the structure of a series of flames in both the slot and swirl burners. Concurrent cross-planar OH-PLIF allows thermal gradients to be angle corrected to their three-dimensional values. Finally, non-reacting and reacting velocity fields complete the flame database. The behavior of major species concentrations in the slot and swirl burner with respect to temperature is found to agree well on the mean with unstrained premixed laminar flame calculations. Scalar means conditioned on stoichiometry also show good agreement, aside from hydrogen which is enhanced under stratified conditions. Surface density function and scalar dissipation are lower than calculated values in all cases, suggesting that turbulence-induced thickening dominates the effect of increased strain. Metrics commonly used to derive flame surface density (FSD) were investigated. FSD may be determined using a statistical method based on measurements of temperature and its gradient, or a geometric method based on 2D temperature or LIF imaging. A third metric, an extension of the geometric method, is proposed. Good agreement is observed between the three metrics. The current database provides the first detailed high resolution scalar measurements for premixed and stratified flames. The data analysis provides insight into the physics of stratification: for the flames considered, the effects of stratification appear to be surprisingly small compared to those of turbulence, even at significant stratification ratios. The datasets provide a means of validating current and future computational turbulent combustion models.