En la presente memoria se describe el uso de líquidos eutécticos sostenibles (DESs en inglés) como medios de reacción, empleando diferentes catalizadores metálicos para llevar a cabo la síntesis de compuestos orgánicos de interés en química orgánica. En el Primer Capítulo se detalla el uso de un catalizador heterogéneo de cobre soportado sobre magnetita en el acoplamiento cruzado deshidrogenante de tetrahidroisoquinolinas en mezclas eutécticas. En el Segundo Capítulo se pormenoriza sobre la síntesis de un complejo tipo pinza de paladio y su empleo en la reacción de acoplamiento cruzado de Hiyama, tanto en mezclas eutécticas como en glicerol, como medios sostenibles de reacción. Asimismo, y con el fin de mejorar la compatibilidad de los catalizadores de paladio en estos líquidos eutécticos, se detalla el diseño y la síntesis de fosfinas catiónicas, las cuales han probado su efectividad como ligandos de paladio en reacciones típicas de acoplamiento cruzado (Suzuki, Heck y Sonogashira) en diferentes mezclas eutécticas. Finalmente, en el Tercer Capítulo se describen reacciones multicomponente de acoplamiento cruzado para la formación de enlaces C-S. Por un lado, se ha desarrollado una metodología para la inserción de SO2 catalizada por paladio a partir de ácidos borónicos y metabisulfito de sodio. Por otro lado, una variante de la metodología anterior permitió la síntesis de sulfonamidas sustituyendo los ácidos borónicos por compuestos de triarilbismuto y nitrocompuestos bajo catálsis de cobre. En este último caso, una nueva mezcla eutéctica ha sido descrita y caracterizada, tanto físco-química como biológicamente.

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Organic solar cells (OSCs) have gained considerable attention from the scientific community in recent decades due to their remarkable power conversion efficiency (PCE), flexibility, and cost-effectiveness in producing large-area batteries. Despite the ongoing research efforts that have led to a PCE exceeding 19% for single-junction OSCs and surpassing 20% for multi-junction OSCs, the commercialization of these devices is hampered by their poor stability, reliance on specific additives, and the use of toxic solvents. To address these shortcomings, this study focuses on investigating the 3 * 3 thermosets matrix to facilitate the selection of precursors for in-situ crosslinking thermosets. Furthermore, in this study, we fabricated the devices using green solvents to narrow the gap between PCE and stability under environmentally friendly conditions. We utilized PTQ10: BTP-BO4Cl as the model system and employed tetrahydrofuran (THF) as an eco-friendly solvent. The research focused on examining the thermoset's glass transition temperature (Tg), modulus and morphology properties. The resulting cross-linked thermoset network has high-density hydrogen bonding and network grids, which helps to stabilize the morphology of the active layer. The findings indicated that selecting a thermoset with high Tg, high modulus (4-8 MPa), and good uniformity as an in-situ crosslinking additive would be beneficial. These results can guide the selection of universal in-situ crosslinking thermosets and aid in improving the stability of various organic electronic devices.

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<p> Matrix diffusion from planar fractures was studied both mathematically and through physical model experiments. A conceptual model was developed based on previous work by Parker (1994) and Crank (1956). Mathematical models were developed to simulate diffusion from 2D and 3D instantaneous disk sources and a 3 D continuous disk source. The models were based on analytical solutions previously developed by Carslaw and Jaeger (1959). Analytical solution is not available for the total mass diffused into the porous matrix for a 3D continuous disk source, and it was therefore calculated through the summation of the iso-concentration lines, which were assumed to be a semi-spherical shape.</p> <p> The mathematical simulations indicated that the 2D scenario produces significantly different results from the 3D scenario, the time for mass disappearance is significantly larger for continuous sources than for instantaneous sources, the normalized concentration generally decreased over time for instantaneous sources while it increased over time for continuous sources, diffusion rates decrease significantly over time and space, and the normalized mass loss from the source zone never reaches 1 for continuous sources due to the semi-infinite integral. The simulations also showed that disappearance times increase exponentially with increasing source radii and matrix porosity, and decrease with increasing aqueous-phase NAPL solubilities.</p> <p> The observations from the physical model experiments were very close to the simulated data at z = 0, validating the 3D mathematical models for this elevation. A plot of the observed vs simulated data did not reveal any trends, indicating that the majority of the differences can be attributed to experimental error. The experimental concentrations were below the method detection limit at depths of 3 and 6 cm however, indicating that either the experiments should have been conducted over a longer time period or a more sensitive analytical method should have been employed, to enable model validation at these depths.</p> / Thesis / Master of Applied Science (MASc)

<p> Although successful in laboratory studies, field applications of in situ remediation of chlorinated solvents in groundwater have met with limited success. This is most often attributed to the inability to deliver the amendment evenly throughout the target zone, especially in low permeability and heterogeneous materials. The goal of this research was to employ a prototype of a novel delivery system to evenly deliver amendment across the depth and breadth of the subsurface in a cost-effective method. The research was conducted at 42 Voyager Court, Toronto, ON where concentrations of vinyl chloride in groundwater were in excess of Ontario Ministry of the Environment guidelines (O.Reg.153/04). The subsurface consisted of sandy and clayey silt fill underlain by sandy silt till.</p> <p> The delivery system comprised 29, 1/4" diameter, delivery points with small perforations along the length, installed in a fence perpendicular to groundwater flow, approximately 0.5 m upgradient of the area of concern. The delivery system used low flow rates (approximately 13 to 23% of total groundwater flow) and discrete delivery holes to deliver a potassium permanganate solution (approximately 40 g/L) amended with sodium bromide (approximately 0.8 g/L) across the depth of the subsurface. Fourteen multi-level monitoring wells, each with five sampling ports were installed to monitor the effectiveness.</p> <p> After six months of delivery, sample results indicated that oxidant demand hindered the ability of potassium permanganate to reach and degrade the vinyl chloride. However, elevated bromide concentrations were detected at all downgradient sampling ports within a 1.5 m distance. Thus, the delivery system was successful at delivering the amendment across the depth and breadth of the target area and achieving even delivery.</p> <p> Problems, typically leaks, were encountered with the delivery system design. Additional engineering would be required to improve the header system prior to commercializing this process. This would be a beneficial endeavor, as results of this work indicate that this passive delivery fence technique meets a real need in the remediation industry, which is the even distribution of amendment to target zones in the saturated subsurface, including zones of low permeability.</p> / Thesis / Master of Applied Science (MASc)