Chosen as one of six Generation‒IV nuclear-reactor concepts, SuperCritical Water-cooled Reactors (SCWRs) are expected to have high thermal efficiencies within the range of 45 ‒ 50% owing to the reactor‟s high pressures and outlet temperatures. The behaviour of supercritical water however, is not well understood and most of the methods available to predict the effects of the heat transfer phenomena within the pseudocritical region are based on empirical one-directional correlations which do not capture the multi-dimensional effects and do not provide accurate results in regions such as the deteriorated heat transfer regime. Computational Fluid Dynamics (CFD) is a numerical approach to model fluids in multidimensional space using the Navier-Stokes equations and databases of fluid properties to arrive at a full simulation of a fluid dynamics and heat transfer system. In this work, the CFD code, FLUENT-12, is used with associated software such as Gambit and NIST REFPROP to predict the Heat Transfer Coefficients at the wall and corresponding wall temperature profiles inside vertical bare tubes with SuperCritical Water (SCW) as the cooling medium. The numerical results are compared with experimental data and 1-D models represented by existing empirical correlations. Analysis of the individual heat-transfer regimes is conducted using an axisymmetric 2-D model of tubes of various lengths and composed of different nodes count along the heated length. Wall temperatures and heat transfer coefficients were analyzed to select the best model for each region (below, at and above the pseudocritical region). To neutralize effects of the rest of the tube on that region, smaller meshes were used were possible. Two turbulent models were used in the process: k-ε and k-ω, with many variations in the sub-model parameters such as viscous heating, thermal effects, and low-Reynolds number correction. Results of the analysis show a fit of ±10% for the wall temperatures using the SST k-ω model in the deteriorated heat transfer regime and less than ±5% for the normal heat transfer regime. The accuracy of the model is higher than any empirical correlation tested in the mentioned regimes, and provides additional information about the multidimensional effects between the bulk-fluid and wall temperatures. Despite the improved prediction capability, the numerical solutions indicate that further work is necessary. Each region has a different numerical model and the CFD code cannot cover the entire range in one comprehensive model. Additionally, some of the trends and transitions predicted are difficult to accept as representation of the true physics of SCW flow conditions. While CFD can be used to develop preliminary design solutions for SCW type reactors, a significant effort in experimental work to measure the actual phenomena is important to make further advancements in CFD based analysis of SCW fluid behaviour. / UOIT

Yes / Coral reefs are important ecosystems that not only provide shelter and breeding ground for many marine species, but can also control of carbon dioxide level in ocean and act as coastal protection mechanism. Reduction of coral reefs at Singapore coastal waters (SCW) region remains as an important study to identify the environmental impact from its busy industrial activities especially at the surrounding of Jurong Island in the south. This kind of study at SCW was often being related to issues such as turbidity, sedimentation, pollutant transport (from industry activities) effects in literatures, but seldom investigated from the thermal change aspect. In this paper, a computational model was constructed using the Delft3D hydrodynamic module to produce wave simulations on sea regions surrounding Singapore Island. The complicated semi-diurnal and diurnal tidal wave events experienced by SCW were simulated for 2 weeks duration and compared to the Admiralty measured data. To simulate the thermal mapping at the south Singapore coastal waters (SSCW) region, we first adapted a conversion of industrial to thermal discharge; then from the discharge affected area a thermal map was further computed to compare with the measured coral map. The outcomes show that the proposed novel thermal modelling approach has quite precisely simulated the coral map at SSCW, with the condition that the near-field thermal sources are considered (with the coverage area in the limit of 20 km × 20 km). / The author also acknowledges the support of Nazarbayev University’s (Kazakhstan) research seed grant no. KF-12/6 for purchasing and providing the Delft3D software used in this study (which the author is the principal investigator of the grant)

La production hydrothermale de nanomatériaux pulvérulents (de type oxyde métallique) en conditions supercritiques a été largement reportée sans pour autant avoir connaissance des mécanismes de formation de ces nano-objets. Ainsi, cette étude est consacrée à la compréhension des mécanismes de nucléation et de croissance de nanoparticules d’oxyde métallique. L’oxyde de zinc a été choisi comme matériau « modèle ». Dans un premier temps, l’influence des conditions opératoires telles que la pression, la température, le pH, la concentration des précurseurs ou encore les débits des solutions sur les propriétés « nanostructurales » des poudres élaborées (taille, distribution de taille, morphologies) est étudiée. Pour ce faire, deux approches ont été menées en parallèle. La première approche consiste en la mise en œuvre de techniques de caractérisations telles que la diffraction des rayons X ou encore la microscopie électronique en transmission. La seconde concerne le développement d’un modèle de simulation par Mécanique des fluides numérique prenant en compte les phénomènes thermiques et hydrodynamiques mais également la réaction chimique. Les résultats obtenus montrent que les caractéristiques morphologiques déterminées par ces deux approches sont en adéquation. En se basant sur les résultats expérimentaux, plusieurs mécanismes de formation des particules de ZnO sont présentés dans ce manuscrit. Afin d’améliorer le modèle CFD, une méthodologie a été mise en place afin de déterminer les vitesses de nucléation et de croissance des nanoparticules de ZnO au travers de mesures de la solubilité de ce matériau en fonction de la température et de la pression. / The supercritical hydrothermal synthesis of nanopowders (especially metal oxide) has been widely studied. To the best of our knowledge, no nanoparticle formation mechanism has been published yet. In this prospect, this study is dedicated to the understanding of metal oxide nanoparticle nucleation and growth mechanisms. For this purpose, zinc oxide is used as a model material. First, the influence of synthesis operating conditions such as pressure, temperature, pH, precursor concentrations and solution flow rates on particle morphological properties (size, particle size distribution or morphologies) has been investigated. Hence, two approaches have simultaneously been carried out. The first approach involves powder characterizations by mean of X-ray diffraction or transmission electron microscopy techniques. The second one consists in the development of a numerical model considering the thermal exchanges, the fluid hydrodynamic behavior and chemical reaction inside the patented reactor by computational fluid dynamics. Results show good agreement between those two approaches. Several ZnO particle formation mechanisms based on powder experimental characterizations are presented in this work depending on operating conditions. In order to enhance the numerical model, a methodology has been set up to evaluate ZnO nanoparticle nucleation and growth rates in supercritical conditions (SCW) by the determination of particle solubility as function of temperature and the pressure.

In this work, SCWG of glucose, cellulose and pinewood was studied at different operating conditions with and without catalyst. Three parameters studied included temperature (400, 470, 500 and 550oC), water to biomass weight ratio (3:1 and 7:1) and catalyst (Ni/MgO, Ni/activated carbon, Ni/Al2O3, Ni/CeO2/Al2O3, dolomite, NaOH, KOH, activated carbon and olivine), which were varied for gasification of glucose, cellulose and pinewood. By comparing the results from model compound (glucose and cellulose) with that from real biomass (pinewood), the mechanism of how the individual compounds are gasified was explored. For catalytic runs with glucose, NaOH had the best activity for improving H2 formation. H2 yield increased by 135% using NaOH compared to that for run without catalyst at 500oC with a water to biomass weight ratio of 3:1. At the same operating conditions, the presence of Ni/activated carbon (Ni/AC) contributed to an 81% increase in H2 yield, followed by 62% with Ni/MgO, 60% with Ni/CeO2/Al2O3 and 52% with Ni/Al2O3. For catalytic runs with cellulose, the H2 yield increased by 194% with KOH compared to that for run without catalyst at 400oC with a water to biomass ratio of 3:1. At the same operating conditions, the presence of Ni/CeO2/Al2O3 contributed to a 31% increase in H2 yield followed by a 28% increase with dolomite. When the water to biomass ratio was increased from 3:1 to 7:1, H2 yield from glucose gasification was increased by 40% and 33% at 400 and 500oC, respectively, and the H2 yield of cellulose gasification was increased by 44%, 11% and 22% at 400, 470 and 550oC, respectively. The higher heating value of the oil products derived from SCWG of both glucose and cellulose incresed in the presence of catalysts. As real biomass, pinewood was gasified in supercritical water at the suitable operation conditions (550oC with water to biomass ratio of 7:1) obtained from previous experiments, using three kinds of catalyst: Ni/CeO2/Al2O3, dolomite and KOH. At the same operating conditions, the gasification of pinewood had smaller yields of H2 (20 to 41%) compared with that from cellulose. The effect of the catalyst on H2 production from SCW in the absence of biomass was studied. The results showed that a trace amount of H2 was formed with Ni based catalyst/dolomite only while some CO2 was formed with Ni/AC. Most of the runs presented in this report were repeated once, some of the runs had been triplicated, and the deviation of all results was in the range of ±5%.

The aim of this work was to rationalize the corrosion resistance of candidate austenitic iron-chromium-nickel (Fe-Cr-Ni) alloys in supercritical water (SCW) for use as fuel claddings within the in-core structure of the Canadian supercritical water-cooled reactor (SCWR) concept. High chromium (Cr)-containing alloys (Alloy 800HT with 20.6 wt.% Cr and 30.7 wt.% Ni and Alloy 33 with 33.4 wt.% Cr and 31.9 wt.% Ni) in the mill annealed condition were chosen for this purpose. Coupons were exposed on a short-term basis (500 h) in a static autoclave containing 25 MPa SCW at 550 °C and 625 °C. Gravimetric measurements and electron microscopy techniques were then used to study the oxidation/corrosion resistance of two alloys. Alloy 33 was found to exhibit the higher corrosion resistance at both temperatures. The improved corrosion resistance of Alloy 33 was attributed to two factors: (i) the formation of a continuous Cr-rich corundum-type M2O3 (M= Cr and Fe) oxide layer that prevented the diffusion of Fe and the formation of a less-protective Fe/Mn-Cr spinel ([Fe,Mn]Cr2O4) outer layer, (ii) a sufficient residual bulk Cr in the Cr-depleted layer adjacent to the alloy/scale interface that prevented any localized internal oxidation from occurring. A mass balance conducted on the corroded Alloy 33 material suggested that volatilization of the corundum-type oxide layer did not occur, at least not within the short-term exposure in the essentially deaerated SCW. A key issue requiring further study was the observation of intermetallic precipitates that formed below the Cr-depleted zone adjacent to the alloy/scale interface in both alloys when exposed for 500 h at 625 °C and their possible influence on the in-service mechanical integrity. / Thesis / Master of Applied Science (MASc) / The supercritical water-cooled reactor (SCWR) is one of the six reactor design concepts developed by the Generation-IV International Forum (GIF). Canada is planning to build the SCWR within the next decades. However, selection of proper materials that perform well within such high pressure high temperature circumstances inside the reactor core with minimum degradation is a very imperative challenge. The current work has addressed this issue by studying the corrosion behaviour of Fe-Cr-Ni alloys in similar environment using electron microscopy techniques.