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<p dir="ltr">LeadGlow (<b>LG</b>) was reported in 2009 for its ability to both sensitively and selectively detect Pb²⁺ in aqueous solutions. Utilizing the synthetic approach of <b>LG</b>, it is possible to generate a class of novel fluorophores. A derivative of first-generation <b>LG </b>was synthesized and reported here for the first time, intuitively named <b>LG2</b>. Both compounds contain interesting photophysical properties that have not been extensively researched prior to this work. Because of this, photophysical properties of both <b>LG</b> and <b>LG2</b> are unveiled here for the first time. These properties were investigated by determinations of quantum yield (QY), average fluorescence lifetime, and DFT calculations. <b>LG</b> was found to have a higher QY (0.057) than <b>LG2</b> (0.011); however, <b>LG2</b> displays an average fluorescence lifetime (3.186 ns) 5x greater than that of <b>LG</b>. Both <b>LG </b>and <b>LG2</b> are synthesized via Hg²⁺-facilitated desulfurization of their respective thiocarbonyls, resulting in a turn-on fluorescence feature. The thiocarbonyl-containing fluorophores (<b>SLG </b>and <b>SLG2</b>) display quenched fluorescence compared to their oxo-derivatives (<b>LG </b>and <b>LG2</b>), this work attempts to investigate the mechanism(s) responsible.<b> </b>A whole class of LeadGlow compounds can be synthesized and could be potentially used as fluorescence-based sensors.</p>

Intrinsic quantum Thermodynamics (IQT) is a theory that unifies thermodynamics and quantum mechanics into a single theory. Its mathematical framework, steepest-entropy-ascent quantum thermodynamics (SEAQT), can be used to model and describe the non-equilibrium phenomenon of diffusion based on the principle of steepest-entropy ascent. The research presented in this dissertation demonstrates the capability of this framework to model and describe diffusion at atomistic levels and is used here to develop a non-equilibrium-based model for an isolated system in which He3 diffuses in He4. The model developed is able to predict the non-equilibrium and equilibrium characteristics of diffusion as well as capture the differences in behavior of fermions (He3) and bosons (He4). The SEAQT framework is also used to develop the transient and steady-state model for an open system in which oxygen diffuses through a tin anode. The two forms of the SEAQT equation of motion are used. The first, which only involves a dissipation term, is applied to the state evolution of the isolated system as its state relaxes from some initial non-equilibrium state to stable equilibrium. The second form, the so-called extended SEAQT equation of motion, is applied to the transient state evolution of an open system undergoing a dissipative process as well mass-interactions with two mass reservoirs. In this case, the state of the system relaxes from some initial transient state to steady state. Model predictions show that the non-equilibrium thermodynamic path that the isolated system takes significantly alters the diffusion data from that of the equilibrium-based models for isolated atomistic-level systems found in literature. Nonetheless, the SEAQT equilibrium predications for He3 and He4 capture the same trends as those found in the literature providing a point of validation for the SEAQT framework. As to the SEAQT results for the open system, there is no data in the literature with which to compare since the results presented here are completely original to this work. / Ph. D.

Several cascading outages that have occurred in the past have shown the importance of performing appropriate and coordinated transmission system planning between the different Planning Coordinators and Transmission Planners in a power system. In very large, interconnected systems, this coordinated planning is necessary due to the inherent complexity that characterizes non-lineal electric power systems. A major task in transmission system planning is to conduct contingency studies that would determine the consequences in the system when single or multiple of its elements trip due to failure or are disconnected during scheduled maintenance outages. This work develops general programs aimed at facilitating the performance of such contingency studies based on the latest Transmission System Planning Performance Requirement standard issued by NERC, TPL-001-4. The focus of this work is on the requirements for the steady state analysis described in the standard, which includes specific steady state performance planning events. The developed programs have been tested in a few base cases and have demonstrated their ability to facilitate contingency studies with any system regardless of its size. / Master of Science