The increasing trend of world-wide energy consumption emphasizes the importance of ongoing optimization of new and existing technologies. In this dissertation, two energy–intensive systems are simulated and optimized. Advanced estimation, optimization, and control techniques such as a moving horizon estimator and a model predictive controller are developed to enhance the profitability, product quality, and reliability of the systems. An enabling development is presented for the solution of complex dynamic optimization problems. The strategy involves an initialization approach to large–scale system models that both enhance the computational performance as well as the ability of the solver to converge to an optimal solution. One particular application of this approach is the modeling and optimization of a batch distillation column. For estimation of unknown parameters, an L1-norm method is utilized that is less sensitive to outliers than a squared error objective. The results obtained from the simple model match the experimental data and model prediction for a more rigorous model. A nonlinear statistical analysis and a sensitivity analysis are also implemented to verify the reliability of the estimated parameters. The reduced–order model developed for the batch distillation column is computationally fast and reasonably accurate and is applicable for real time control and online optimization purposes. Similar to estimation, an L1-norm objective function is applied for optimization of the column operation. Application of an L1-norm permits explicit prioritization of the multi–objective problems and adds only linear terms to the problem. Dynamic optimization of the column results in a 14% increase in the methanol product obtained from the column with 99% purity. In a second application of the methodology, the results obtained from optimization of the hybrid system of a cryogenic carbon capture (CCC) and power generation units are presented. Cryogenic carbon capture is a novel technology for CO2 removal from power generation units and has superior features such as low energy consumption, large–scale energy storage, and fast response to fluctuations in electricity demand. Grid–level energy storage of the CCC process enables 100% utilization of renewable power sources while 99% of the CO2 produced from fossil–fueled power plants is captured. In addition, energy demand of the CCC process is effectively managed by deploying the energy storage capability of this process. By exploiting time–of–day pricing, the profit obtained from dynamic optimization of this hybrid energy system offsets a significant fraction of the cost of construction of the cryogenic carbon capture plant.

In this study, four different chromatographic column chemistries (octadecylsilane/ C18, pentafluorophenyl/ PFP, octadecylated polystyrene-divinylbenzene/ PRP and underivatized silica/ HILIC) were compared under optimal conditions to evaluate the relative strengths and weaknesses of the phases for use in the determination of pain management drugs by LC-MS. Furthermore, different column scaffoldings, traditional silica, porous shell, and porous polymer, were also compared. The drugs included in this study included buprenorphine, fentanyl, methadone, naloxone, oxycodone, and tramadol. Factors such as peak area, peak resolution, theoretical plates, and reproducibility were compared among the columns and analytes using a 2-way analysis of variance (ANOVA). Because of the lipophilic nature of these drugs, the C18 columns tended to offer the best performance; however, PFP and PRP columns were viable alternatives. Finally, HILIC separation was also suitable for most of the compounds under study; often providing higher peak areas (sensitivity) likely associated with higher organic (% B) conditions, thus favoring mass spectrometric detection. To our knowledge, this is the first study to explore viability of other non-C18 stationary phases such as PRP and HILIC for this drug class.

Three adsorption theories--Langmuir, B.E.T., and Freundlich--were applied to boron interaction with Aiken clay loam and Vernal sandy loam soils to determine which bests describes the system. Column studies were conducted to obtain constants related to mass fluid flow and fluid dispersion within the column. An inert ion was used to obtain the pore volume and to calculate the fluid dispersion coefficient. These data were used to solve the material balance equation by the explicit numerical method developed by Lai for a digital computer. The output from the computer was a predicted profile boron distribution within the soil column. The soil columns were undergoing saturated flow and 10 ppm boron solution was introduced at the top and allowed to flow for a specified period of time, at which time the column was segmented and analyzed for boron to obtain the experimental profile boron distribution within the soil column. The experimental and predicted profiles were compared.

Este trabalho tem como objetivo estudar as características de uma coluna depropanizadora e propor uma estrutura de controle para esta planta. Essa coluna está localizada na unidade de craqueamento catalítico da Refinaria Presidente Bernardes, em Cubatão. O objetivo de controle é a especificação de um valor máximo de butano e componentes mais pesados (C4+) na corrente de topo e um valor máximo de propano e componentes mais leves (C3-) na corrente de fundo. Uma simulação da planta foi construída por meio do simulador de processos AspenOne® e os modelos referentes a vários pontos de operação e duas composições de carga distintas foram obtidos através da simulação integrada entre o Aspen® e o Simulink®. O software Matlab(TM) foi utilizado para executar o algoritmo de controle. O controlador aqui proposto é um IHMPC (Infinite Horizon Model Predictive Control) adaptado para sistemas com tempo morto e com faixas nas variáveis controladas. As incertezas na modelagem foram representadas por um conjunto de modelos lineares. Adicionalmente o controlador contém, na mesma camada, um componente de otimização econômica linear com o objetivo de minimizar o gasto energético do sistema ou até mesmo maximizar a pureza do destilado. As simulações permitiram que as estratégias de controle pudessem ser testadas e seus resultados discutidos. A análise dos testes mostra que o IHMPC aqui proposto é capaz de controlar a planta nos possíveis pontos de operação com um bom desempenho. / The objective of this work is to study the characteristics of a depropanizer column and to propose a predictive control structure for this plant. This column is located at the fluid catalytic cracking unit of the Presidente Bernardes Refinery, in Cubatão. The control objective of these columns is the specification of a maximum value of butane and heavier components (C4+) in the top stream and the maximum value of propane and lighter components (C3-) in the bottom stream. The plant was represented through the process simulator AspenOne® and the models for several operating points and two different feed compositions were obtained through the integrated simulation of Aspen® and Simulink®. The software Matlab(TM) was used to run the control algorithm. The controller proposed here is based on the IHMPC (Infinite Horizon Model Predictive Control) that was extended to time delayed systems and zone control. The model uncertainties are approximated by a set of linear models. In addition, the controller contains, in the same layer, an economic objective, which aims to minimize the energy contents of the operation and to maximize the purity of the distillate. The simulation allowed that the control strategies could be tested and the results discussed. The analysis of the tests showed that the proposed IHMPC is able to control the plant with acceptable performance.

We introduce and study a novel graph optimization problem to search for multiple cliques with the maximum overall weight, to which we denote as the Maximum Weighted Multiple Clique Problem (MWMCP). This problem arises in research involving network-based data mining, specifically, in bioinformatics where complex diseases, such as various types of cancer and diabetes, are conjectured to be triggered and influenced by a combination of genetic and environmental factors. To integrate potential effects from interplays among underlying candidate factors, we propose a new network-based framework to identify effective biomarkers by searching for "groups" of synergistic risk factors with high predictive power to disease outcome. An interaction network is constructed with vertex weight representing individual predictive power of candidate factors and edge weight representing pairwise synergistic interaction among factors. This network-based biomarker identification problem is then formulated as a MWMCP. To achieve near optimal solutions for large-scale networks, an analytical algorithm based on column generation method as well as a fast greedy heuristic have been derived. Also, to obtain its exact solutions, an advanced branch-price-and-cut algorithm is designed and solved after studying the properties of the problem. Our algorithms for MWMCP have been implemented and tested on random graphs and promising results have been obtained. They also are used to analyze two biomedical datasets: a Type 1 Diabetes (T1D) dataset from the Diabetes Prevention Trial-Type 1 (DPT-1) Study, and a breast cancer genomics dataset for metastasis prognosis. The results demonstrate that our network-based methods can identify important biomarkers with better prediction accuracy compared to the conventional feature selection that only considers individual effects.

This thesis presents the results of a combination of new observations with the Parkes telescope of neutral hydrogen (HI) in the Small Magellanic Cloud (SMC) with an Australia Telescope Compact Array aperture synthesis mosaic. The data are used to study the HI distribution and mass, the velocity field and rotation curve of the SMC, as well as to probe the 3-D structure of the SMC. A kinematic study of the HI data reveals the existence of three supergiant shells which were previously undetectable in the ATCA data alone. The HI spatial power spectrum has been investigated over a range of contiguous scale sizes wider than those previously achieved in any other galaxy. This thesis also demonstrates that the infrared data obtained with the Infrared Astronomical Satellite for the SMC can be successfully reconstructed with much higher resolution using the Pyramid Maximum Entropy algorithm. The new infrared (IR) data are used to study the integrated IR spectrum, the dust temperature and dust column density in the SMC. The high resolution HI and IR data enable an investigation of the spatial correlation of dust and gas and the assumption of the dust and gas being well-mixed in the ISM. The spatial power spectrum of the dust column density shows that, as with the HI power spectrum, there is no preferred scale size for dust clouds. The remarkable similarity of the spatial power spectra for the HI and dust column density distributions suggests a unique hierarchical structure organisation for the ISM in the SMC. Such an organisation is likely to be governed by the Kolmogorov type turbulence and could be described by fractal nature with the volume fractal dimension of 2.4. / Doctor of Philosophy (PhD)

Glenbrook Lagoon, an 8 hectare lake receiving rainfall runoff from a residential catchment, is experiencing nutrient enrichment problems expressed as excessive aquatic plant presence. This study aims to assess the relative nutrient contribution of the total system compartments, including catchment loading, water column, aquatic plants and surface sediment. This information is utilised in the formulation of management strategies which may produce a sustainable nutrient reduction and general improvement in the system. The total nutrient content of the aquatic system was determined to be high in comparison with the present nutrient loading from the catchment. The ideal management case considers nutrient reduction of the surface sediment compartment firstly, followed by the aquatic plant community, with the water column and catchment influence as relatively low priority compartments. Various strategies for managing these are proposed. The total system benefits of the ideal management case are reductions in nutrients, aquatic plant biovolume and suspended solid loading. Unavoidable constraints placed upon the ideal management case include the excessive aquatic plant presence restricting accessability to the surface sediment for dredging. The resulting best management case requires aquatic plant eradication prior to sediment management, with the total system benefits associated with the ideal management case being retained. / Master of Science (Hons)

The hydrodynamic phenomena occurring inside the enclosed downcomer section of a plunging jet bubble column are described in the study. The gas entrainment rate for a plunging liquid jet was found to consist of two components, namely the gas trapped within the effective jet diameter at the point of impact, and the gas contained within the film between the jet and induction trumpet surface at the point of rupture. Entrainment within the effective jet diameter has been examined by McCarthy (1972). In this study, a model was supported by the experimental results, provided the film attained a region of constant thickness. When the induction trumpet was ruptured prior to a constant film thickness being reached, the measured rate of filmwise entrainment was higher than the prediction. Filmwise entrainment was found to be initiated once a critical velocity along the surface of the induction trumpet was reached. The critical velocity was a function only of the liquid physical properties and was independent of the jet conditions and downcomer diameter. The velocity of the free surface of the induction trumpet was obtained from the velocity profile for the recirculating eddy generated by the confined plunging liquid jet. The jet angle used to describe the expansion of the submerged jet inside the downcomer was predicted from the radial diffusion of jet momentum into the recirculation eddy. The model was able to predict the jet angle when it was assumed that the radial diffusion of jet momentum was a function of the Euler number based on the jet velocity and absolute pressure in the headspace at the top of the downcomer. The model was also developed to predict the maximum stable bubble diameter generated within the submerged jet volume, where the energy dissipation attributed to bubble breakup was given by the energy mixing loss derived for the throat section of a liquid-jet-gas-pump. Good agreement was found between the measured and predicted maximum bubble diameter values. The average experimental Sauter mean/maximum diameter ratio was found to be 0.61, which was similar to that for other bubble generation devices. It was found that for turbulent liquid conditions in the uniform two-phase flow region, a transition from bubble to churn-turbulent flow occurred at a gas void fraction of approximately 0.2 when the gas drift-flux was zero. Under laminar liquid flow, this transition took place at a gas void fraction above 0.3. For the bubbly flow regime the Distribution parameter Co used by Zuber and Findlay (1965) to describe the velocity and gas void fraction profile, was found to be a function of the liquid Reynolds number. For laminar liquid flow, values of Co greater than unity were obtained. As the liquid Reynolds number was increased it was found that Co decreased, until a constant value of unity was obtained for fully turbulent flow. For the churn-turbulent regime it was found that the gas void fraction measurements for all of the experimental runs could be collapsed onto a single curve when a modified gas void fraction was plotted against the gas-to-liquid volumetric flow ratio. The modified gas void fraction included a correction factor to account for the difference in the bubble slip velocity between the experimental runs. The experimental results also indicated that the value of the constant in the gas void fraction correction factor was different for laminar and turbulent flow. Prior to bubble coalescence, it was found that the experimental drift-flux curves could be predicted from the measured bubble diameter, using the separated flow model development by Ishii and Zuber (1979). After the onset of coalescence the drift flux measurements departed from the original drift-flux curves at a rate which increased linearly with increasing gas void fraction. It was found that the slope of the line fitted to the coalesced region of the drift-flux curves increased with increasing liquid Reynolds number and reached a constant value under fully turbulent flow conditions. The model developed, together with the implications of the experimental results, are discussed with regard to optimising the design of an industrial plunging jet bubble column. / PhD Doctorate

在行列設計(row-column design)的架構下，當行總和與列總和皆為總試驗處理數的倍數時，我們考慮行效果與列效果的相互比較之最適性。延續Shah和Sinha(1993)的結果，在給定行總和及列總和的情況下，我們導出達成齊一最適設計(uniformly optimal design)的充分條件。此外，當總實驗單位固定時，達成全域最適設計(universally optimal design)的充分條件亦被求出。我們同時列舉許多相關的設計排列法。 / We consider the problem of comparing row effects and column effects in the row-column design setup when the row sizes and column sizes are all multiples of the number of treatments. Following the work of Shah and Sinha (1993), we derive a sufficient condition for uniformly optimal designs for given values of the row sizes and column sizes. We also derive a sufficient condition for universally optimal designs when the total number of experimental units is fixed. Several examples of designs with high efficiencies are provided.

The hypothalamic paraventricular nucleus (PVN) is known to be a major integrative region within the forebrain. It is composed of functionally different subgroups of neurons, including the parvocellular neurons that project to important autonomic targets in the brainstem e.g. the rostral ventrolateral medulla (RVLM) and the intermediolateral cell column (IML) of the spinal cord, where the sympathetic preganglionic motor-neurons are located. These regions are critical in cardiovascular regulation; hence, these projections are likely to mediate the effects of the PVN on sympathetic nerve activity and hence may contribute to the cardiovascular changes induced by physiological stimuli such as elevations in body temperature. The neurotransmitter such as nitric oxide (NO) is important in cardiovascular regulation and it is now emerging as a major focus of investigation in thermoregulation. One of the most striking accumulations of NO containing-neurons is in the PVN where it appears to be playing an important role in cardiovascular regulation and body fluid homeostasis. The results of the work show; 1. That spinally-projecting and nitrergic neurons in the PVN may contribute to the central pathways activated by exposure to a hot environment. 2. Suggests that nitrergic neurons and spinally- projecting neurons in the brainstem may make a small contribution to the central pathways mediating the reflex responses initiated by hyperthermia. 3. The present study also illustrates that these PVN neurons projecting to the RVLM may make a smaller contribution than the spinal-projecting neurons in the PVN to the cardiovascular responses initiated by heat. 4. The results of my studies showed that the microinjection of muscimol to inhibit the neuronal activity in the PVN abolished the reflex decrease in renal blood flow following an elevation of core body temperature. In addition, this effect was specific to the PVN, since microinjections of muscimol into areas outside the PVN were not effective. These findings demonstrate that the PVN is critical for this reflex cardiovascular response initiated by hyperthermia. In conclusion, PVN is critical for the reflex decrease in renal blood flow during elevations in core body temperature. We hypothesise that projections from the PVN to the spinal cord and the RVLM contribute to the reflex cardiovascular responses. Additionally, nitrergic neurons in the PVN may contribute but the physiological role of those neurons in the reflex responses elicited by hyperthermia needs to be investigated.