acase@tulane.edu / Shallow water models are widely used to describe and study fluid dynamics phenomena where the horizontal length scale is much greater than the vertical length scale, for example, in the atmosphere and oceans. Since analytical solutions of the shallow water models are typically out of reach, development of accurate and efficient numerical methods is crucial to understand many mechanisms of atmospheric and oceanic phenomena. In this dissertation, we are interested in developing simple, accurate, efficient and robust numerical methods for two shallow water models --- the Saint-Venant system of shallow water equations and the two-mode shallow water equations. We first construct a new second-order moving-water equilibria preserving central-upwind scheme for the Saint-Venant system of shallow water equations. Special reconstruction procedure and source term discretization are the key components that guarantee the resulting scheme is capable of exactly preserving smooth moving-water steady-state solutions and a draining time-step technique ensures positivity of the water depth. Several numerical experiments are performed to verify the well-balanced and positivity preserving properties as well as the ability of the proposed scheme to accurately capture small perturbations of moving-water steady states. We also demonstrate the advantage and importance of utilizing the new method over its still-water equilibria preserving counterpart. We then develop and study numerical methods for the two-mode shallow water equations in a systematic way. Designing a reliable numerical method for this system is a challenging task due to its conditional hyperbolicity and the presence of nonconservative terms. We present several numerical approaches---two operator splitting methods (based on either Roe-type upwind or central-upwind scheme), a central-upwind scheme and a path-conservative central-upwind scheme---and test their performance in a number of numerical experiments. The obtained results demonstrate that a careful numerical treatment of nonconservative terms is crucial for designing a robust and highly accurate numerical method for this system. / 1 / Yuanzhen Cheng

A generalized ejector model was successfully developed for gas ejector design and performance analysis. Previous 1-D analytical models can be derived from this new comprehensive model as particular cases. For the first time, this model shows the relationship between the cosntant-pressure and constant-area 1-D ejector models. The new model extends existing models and provides a high level of confidence in the understanding of ejector mechanics. “Off-design” operating conditions, such as the shock occurring in the primary stream, are included in the generalized ejector model. Additionally, this model has been applied to two-phase systems including the gas-liquid ejector designed for a Proton Exchange Membrane (PEM) fuel cell system. The equations of the constant-pressure and constant-area models were verified. A parametric study was performed on these widely adopted 1-D analytical ejector models. FLUENT, commercially available Computational Fluid Dynamics (CFD) software, was used to model gas ejectors. To validate the CFD simulation, the numerical predictions were compared to test data and good agreement was found between them. Based on this benchmark, FLUENT was applied to design ejectors with optimal geometry configurations.

The distributions of calcite rich horizons within dryland soils are commonly used as paleoclimate proxies. Comprehensive conceptual and mathematical models of calcite accumulation in soils are required to accurately interpret and calibrate these proxies. A conceptual model for calcite accumulation is already well established: As water percolates through a soil, it dissolves minerals, such as calcite, transporting the soluble minerals downward. As soil water is removed by evaporation and transpiration, the water solution becomes supersaturated resulting in precipitation of calcite at depth. The impacts of dynamic plant growth and microbial respiration have not yet been simulated in numerical models for calcite accumulation but are likely important because of their influence on variables governing calcite solubility. The soil hydraulic modeling software, HYDRUS-1D, simulates water and solute transfer through a soil column, accounting for variations in all previously studied variables (temperature, water content, soil pCO₂) while additionally simulating vegetation-soil interactions. Five separate sensitivity studies were conducted to determine the importance for calcite accumulation of 1) soil texture, 2) plant growth, 3) plant phenology, 4) atmospheric CO₂ concentrations, and 5) the proximal variables that control calcite dissolution and precipitation: soil CO₂, soil water content, and soil temperature. In each modeling simulation, calcite was leached from the top several cm and redistributed deeper in the soil after 20 years. Soils with courser texture yield deeper (+20cm), more diffuse calcite horizons, as did simulations with bare soil compared to vegetated soil. The phenology of plant communities (late spring versus late summer growth) resulted in soil calcite accumulation at temperatures differing by at least 10°C. Changes in atmospheric CO₂ concentrations do not affect the soil calcite distribution. Variations in concentration of soil CO₂, rather than soil water content, have the greatest direct effect on calcite solubility. The most significant time periods of annual accumulation also corresponded with positive water fluxes resulting from high matric potential at the surface. Transpiration and evaporation moisture sinks caused solution to travel upward from higher to lower soil CO₂ concentrations, causing CO₂ de-gassing and calcite accumulation. This pathway describes a new qualitative mechanism for soil calcite formation and should be included in the conceptual model. / text

The UK Health & Safety Executive are responsible for advising on ways to ensure the safety of employees within the workplace. One of the main areas of concern is the potential problem of unwanted fire, and it has been identified that within the area of large-scale storage in warehouses, there is an uncertainty posed by large quantities of thermoplastic. Some forms of thermoplastic exhibit melt-flow behaviour when heated, and a large vertical array exposed to a fire may melt and ignite forming a pool fire in addition to a wall fire. This project is largely experimental, and aimed at quantifying the effect of a growing pool fire fuelled by a melting wall on overall fire growth rate. The pool fire has been found to increase melting and burning rates, producing a much faster growing fire. It has also been found that - 80% of flowing and burning material will enter a potential pool fire, with only 20 - 25% of total mass loss actually burning from the original array. During the project 400+ small-scale tests and several medium-scale experiments have been undertaken at both Edinburgh University and the HSE's Fire & Explosion Laboratory, Buxton. The experiments have confirmed the main parameters governing pool fire development are molecular weight degradation rate and mechanism, which control flow viscosity. There have also been investigations into other influences, the most significant of which was found to be flooring substrate. These parameters then form the basis of a simple 1-D model. A semi-infinite heat transfer approximation is used to determine temperature profile through a thermoplastic exposed to its own flame flux, with extrapolated temperature dependant material properties. The derived profile is then inserted into a gravity driven flow model, to produce estimates of flow rate and quantity for plastics undergoing either random or end chain scission thermal degradation processes. The model identifies property data which are required to permit its use as a hazard assessment tool.

The development of metal-tolerance and antibiotic resistance in bacteria may be caused by metals polluting a particular environment. During mining and mineral processing activities, large quantities of metals are deposited into the soil. These high concentrations of metals are evolutionary pressures selecting for microorganisms tolerant to these metals. Metaltolerance maybe conferred to these organisms by mobile genetic elements such as plasmids. This study describes the characteristics of plasmids isolated from various bacteria that displayed an ability to withstand high metal concentrations. The isolated plasmids were individually transformed into Escherichia coli JM109. Transformants were then evaluated for metal-tolerant capabilities using a microdilution approach. Plasmids were then isolated from the transformants and the concentration of the plasmid DNA ranged between 11.75 – 118.06 ng/μl. These plasmids were of the same size as the original ones. This demonstrated that successful transformations with plasmid DNA were conducted. In order to determine the compatibility group, plasmids were subjected to PCR amplification using IncQ, IncP-9 and IncW specific primers. Only the IncW provided positive results. To demonstrate that the plasmids were free of genomic DNA, a 16S rDNA PCR test was included. The plasmids that were positive for IncW PCRs were all negative for the rDNA PCRs. Plasmids were stably inherited and at least three, isolated from three different Gram positive species, belonged to the Inc W group of plasmids. These were originally isolated from Paenibacillus ginsingari, Paenibacillus lautus and Bacillus cereus. Minimum inhibition concentrations (MICs) were carried out to determine the ability of transformed E. coli JM109 to tolerate metals at varying concentrations. Results indicated that transformed E. coli JM109 developed ability to grow in the presence of several heavy metals. Some strains were resistant to high concentrations (+10 mM) of Ni2+/Al3+, Pb2+ and Ba2+. The order of metal resistance was Ni/Al=Pb>Ba>Mn>Cr>Cu>Co=Hg. All the x transformants were sensitive to 1 mM of Co2+ and Hg2+. Moreover, protein profiling was used to determine the impact of plasmids on E. coli JM109. Proteins were extracted from both transformed and un-transformed E. coli JM109 using acetone-SDS protocol and subjected to one-dimensional (1D) and two-dimensional (2D) Sodium Dodecyl Sulphate Polyacrylamide Gel Electrophoresis (SDS- PAGE). Transformed E. coli JM109 were grown under the metal stress. One dimension SDS-PAGE illustrated general similarity of the profiles except for two banding positions in the 30 to 35 kDa region where bands were present in the transformants that were grown in the Ni/Al alloy containing media. Twodimensional electrophoresis PAGE analysis showed that some of the proteins were upregulated while others were down-regulated. The largest numbers of proteins were from 15 – 75 kDa. The majority of these proteins had isoelectric points (pI) between 5 and 6. It was concluded that plasmids isolated from various heavy metal-tolerant bacterial species were successfully transformed into E. coli JM109 rendering various new metal-tolerant E. coli JM109 strains. Furthermore, the study showed that metal resistance was due to the presence of the plasmids. Two-dimensional SDS-PAGE resolved more differences in the protein expression profiles. Since the plasmids rendered the E. coli JM109 tolerant to metals tested, it also can be concluded that the change in the protein profiles was due to the effects of the plasmids. Furthermore, plasmids were also re-isolated from the transformants and these plasmids were of the same size as the original ones.. All the plasmids in this study were also stably inherited, a feature associated with IncW plasmids. More detailed genetic characterization of these plasmids is required. Plasmids isolated and characterized in this study may hold biotechnology potential. Such features should be exploited in follow-up experiments. / Thesis (Master of Environmental Sciences)--North-West University, Potchefstroom Campus, 2013.

The development of metal-tolerance and antibiotic resistance in bacteria may be caused by metals polluting a particular environment. During mining and mineral processing activities, large quantities of metals are deposited into the soil. These high concentrations of metals are evolutionary pressures selecting for microorganisms tolerant to these metals. Metaltolerance maybe conferred to these organisms by mobile genetic elements such as plasmids. This study describes the characteristics of plasmids isolated from various bacteria that displayed an ability to withstand high metal concentrations. The isolated plasmids were individually transformed into Escherichia coli JM109. Transformants were then evaluated for metal-tolerant capabilities using a microdilution approach. Plasmids were then isolated from the transformants and the concentration of the plasmid DNA ranged between 11.75 – 118.06 ng/μl. These plasmids were of the same size as the original ones. This demonstrated that successful transformations with plasmid DNA were conducted. In order to determine the compatibility group, plasmids were subjected to PCR amplification using IncQ, IncP-9 and IncW specific primers. Only the IncW provided positive results. To demonstrate that the plasmids were free of genomic DNA, a 16S rDNA PCR test was included. The plasmids that were positive for IncW PCRs were all negative for the rDNA PCRs. Plasmids were stably inherited and at least three, isolated from three different Gram positive species, belonged to the Inc W group of plasmids. These were originally isolated from Paenibacillus ginsingari, Paenibacillus lautus and Bacillus cereus. Minimum inhibition concentrations (MICs) were carried out to determine the ability of transformed E. coli JM109 to tolerate metals at varying concentrations. Results indicated that transformed E. coli JM109 developed ability to grow in the presence of several heavy metals. Some strains were resistant to high concentrations (+10 mM) of Ni2+/Al3+, Pb2+ and Ba2+. The order of metal resistance was Ni/Al=Pb>Ba>Mn>Cr>Cu>Co=Hg. All the x transformants were sensitive to 1 mM of Co2+ and Hg2+. Moreover, protein profiling was used to determine the impact of plasmids on E. coli JM109. Proteins were extracted from both transformed and un-transformed E. coli JM109 using acetone-SDS protocol and subjected to one-dimensional (1D) and two-dimensional (2D) Sodium Dodecyl Sulphate Polyacrylamide Gel Electrophoresis (SDS- PAGE). Transformed E. coli JM109 were grown under the metal stress. One dimension SDS-PAGE illustrated general similarity of the profiles except for two banding positions in the 30 to 35 kDa region where bands were present in the transformants that were grown in the Ni/Al alloy containing media. Twodimensional electrophoresis PAGE analysis showed that some of the proteins were upregulated while others were down-regulated. The largest numbers of proteins were from 15 – 75 kDa. The majority of these proteins had isoelectric points (pI) between 5 and 6. It was concluded that plasmids isolated from various heavy metal-tolerant bacterial species were successfully transformed into E. coli JM109 rendering various new metal-tolerant E. coli JM109 strains. Furthermore, the study showed that metal resistance was due to the presence of the plasmids. Two-dimensional SDS-PAGE resolved more differences in the protein expression profiles. Since the plasmids rendered the E. coli JM109 tolerant to metals tested, it also can be concluded that the change in the protein profiles was due to the effects of the plasmids. Furthermore, plasmids were also re-isolated from the transformants and these plasmids were of the same size as the original ones.. All the plasmids in this study were also stably inherited, a feature associated with IncW plasmids. More detailed genetic characterization of these plasmids is required. Plasmids isolated and characterized in this study may hold biotechnology potential. Such features should be exploited in follow-up experiments. / Thesis (Master of Environmental Sciences)--North-West University, Potchefstroom Campus, 2013.

Submitted by Romulus Lima (romulus.lima@ufpe.br) on 2015-03-04T19:05:49Z No. of bitstreams: 2 DISSERTAÇÃO Arthur Paiva Coutinho.pdf: 3881282 bytes, checksum: 04e154f5454d7bc2dd0c520af924246e (MD5) license_rdf: 1232 bytes, checksum: 66e71c371cc565284e70f40736c94386 (MD5) / Made available in DSpace on 2015-03-04T19:05:49Z (GMT). No. of bitstreams: 2 DISSERTAÇÃO Arthur Paiva Coutinho.pdf: 3881282 bytes, checksum: 04e154f5454d7bc2dd0c520af924246e (MD5) license_rdf: 1232 bytes, checksum: 66e71c371cc565284e70f40736c94386 (MD5) Previous issue date: 2011-08 / FACEPE / Em áreas urbanas, a crescente ocupação e impermeabilização dos lotes aliada à falta de planejamento ambiental, tem resultado no aumento considerável de áreas impermeáveis como, por exemplo: telhados, ruas, estacionamentos e outros, os quais alteram significativamente as características qualitativas e quantitativas do ciclo hidrológico. A consequência deste fato é a ocorrência indesejada de problemas de desconforto urbano como as enchentes, o aumento da temperatura, o efeito estufa, e a degradação das águas pluviais, dentre outros. No caso de Pernambuco, o problema já existe nas áreas urbanas da Região Metropolitana do Recife que por serem muito planas e com baixa declividade apresentam muitos problemas de alagamentos principalmente nos meses de maio, junho e julho. Sistemas de infiltração como pavimentos permeáveis, apresentam-se como alternativas que permitem uma redução do pico e dos volumes dos hidrogramas de escoamento superficial gerados, permitindo também uma redução da carga poluente, além de favorecer a recarga quantitativa dos lençóis freáticos por infiltração. O objetivo geral deste trabalho é o estudo do uso da técnica pavimento permeável no amortecimento de alagamentos por ocasião das chuvas torrenciais na cidade do Recife. O pavimento foi dimensionado para um tempo de retorno de 2 anos e foi executado no estacionamento do Centro de Tecnologia e Geociências da UFPE resultando em uma seção de 64 cm de espessura. O trabalho consta de um monitoramento durante duas quadras chuvosas nos anos de 2010 e 2011 de varáveis com precipitação pluviométrica, níveis d’água diários e automáticos da camada de reservatório do pavimento além do monitoramento diário do potencial matricial da água no solo permitindo avaliar a dinâmica de redistribuição da água infiltrada. O solo do material de revestimento e do subleito foram caracterizados utilizando a metodologia Beerkan. Além disso, foram realizadas simulações numéricas do escoamento e da dinâmica da água no solo (subleito) do pavimento utilizando o Hydrus 1- D, analisando cenários de escoamento, considerando chuvas de projeto baseadas na Metodologia do Bureau Reclamation, chuvas com intensidade constante para vários tempos de retorno. Como dados de entrada foram utilizados as características do solo suporte do experimento como granulometria e parâmetros da curva de retenção de água no solo, além dos potenciais medidos diariamente. Como resultados observou-se que a camada do revestimento apresentou características de infiltração maiores que a camada do subleito, alguns eventos apresentaram extravasamento mostrando que a metodologia de dimensionamento adotada tinha subdimensionado o sistema, os níveis d’água na camada do reservatório apresentaram elevada sensibilidade aos eventos de precipitação. Além disso, o pavimento mostrou capacidade para drenar, em menos de 24 horas, o seu volume mostrando-se preparado para receber o aporte de água decorrentes de outros eventos.

The efficiency of an internal combustion (IC) engine is governed by the thermodynamic cycle underpinning its operation. The thermodynamic efficiency of these devices is primarily determined by the temperature gradient created during the compression process. The final conversion efficiency also known as brake thermal efficiency (BTE) of IC engines, however, also depend on other processes associated with its operation. BTE is a product of the combustion, thermodynamic, gas-exchange, and mechanical efficiencies. The improvement of BTE through maximation of any one of the four efficiencies is reduced by its implication of the other three. Split-cycle engine provides an alternative method of improving the engine efficiency through over-expansion of combustion gases by transferring it to a cylinder of greater volume. The operation of split-cycle engines is based on either the Brayton or the Atkinson Cycles. Atkinson Cycle has been demonstrated in IC engines without the split-cycle architecture but is limited by the reduced energy density. Double Compression Expansion Engine (DCEE) provides a method of accomplishing the Atkinson Cycle without the constraints faced in conventional engine architectures. DCEE splits the compression and expansion processes in a vertical manner that enables the use of larger cylinder volumes for over-expansion as well as first-stage compression without much friction penalties. The present thesis explores the thermodynamic cycle of this novel engine architecture using well-validated 1-dimensional engine models solving for gas-exchange, real gas properties, and heat transfer provided in the GT-Power software tool. The effect of compression ratio, rate of heat addition, sensitivity to design and modeling parameters was assessed and contrasted against conventional engine architecture. The synergies of combining low-temperature combustion (LTC) concepts with DCEE was investigated using simulation and experimental data. DCEE relaxes many constraints placed the operation of an engine in Homogenous Charge Compression Ignition (HCCI) mode. The limitations of adopting Partially Premixed Combustion (PPC) concept is also alleviated by the DCEE concept. BTE improvement of above 10% points is achievable through the DCEE concept along with possibility to achieve very low emissions through use of LTC concepts and new after-treatment methods uniquely available to the DCEE.

Magnetic properties of three families of metal-organic coordinated networks which have the general form of M(II)A(4,4'-bipyridine), where M=Fe, Ni, Co, and Cu and A=Cl2, (ox) and (N3)2, are studied in this dissertation. Novel Ni(N3)2(4,4'-bipyridine), Co(N3)2(4,4'-bipyridine) and Cu(N3)2(4,4'-bipyridine) have been synthesized. We applied different synthesis procedures and produced Ni, Co, and Cu azide compounds for the first time, thus leaving the hydrothermal route procedure. Powder x-ray diffraction at room temperature was done in order to establish the crystal structure of the members of these three families. It was found that all of them crystallize in orthorhombic structure, where transitional metals have an octahedral coordination. Since all three families have identical crystal structure we got opportunity to examine how ligands facilitate magnetic interaction between metallic centers and also to test existing magnetic theoretical models. Since 4,4'-bipyridine is much longer than other ligands, our systems can be considered as 1-D magnetic systems. Their interchain magnetic interactions are very weak, and they order magnetically at very low temperatures of the order of few K. Measurements of M(H) at temperatures T=1.9K and T=2K and χ(T) in different external magnetic fields in zero field and field cooled modes have been made. In the case of MCl2(4,4'-bipyridine) family of compounds, we observed ferromagnetic interactions between metal ions within the chains and antiferromagnetic interactions between adjacent chains. M(ox)(4,4'-bipyridine) family of metal-organic compounds has antiferromagnetic interactions between the transitional metal ions within the chain, while weak ferromagnetic interaction exists between the chains. All members in the M(N3)2(4,4'-bipyridine) family except in the case of the copper compound were found to have ferromagnetic interactions between metal ions within the chains and then antiferromagnetic interactions between adjacent chains. The copper compound does not show magnetic ordering in the temperature range we considered. All the metal ions in these compounds were detected in high spin states. The magnetic susceptibility data was fit to appropriate 1-D models, which in the case of MCl2(4,4'-bipyridine) and M(N3)2(4,4'-bipyridine) were the Classical Spin Fisher model, and the Bonner Fisher model in the case M(ox)(4,4'-bipyridine). The experimental results and fitting to the appropriate model with the accuracy of 0.995 suggests that shorter Cl-M-Cl distances facilitate ferromagnetic interactions, which are more sensitive to the total spin value then to the sole distance between metal ions. The magnetic behavior of M(N3)2(4,4'-bipyridine) family of coordinated metal-organic compounds is very interesting because family members exhibit both ferromagnetic and antiferromagnetic behavior. The ferromagnetic characteristics decrease with decreasing spin. Fitting the results for all compounds of the M(ox)(4,4'-bipyridine) family have shown that strong anisotropy exists in all of them, being highest in Ni(ox)(4,'4-bipyridine) and lowest in Co(ox)(4,4'-bipyridine). Specific heat measurements were performed in the case of cobalt and copper azide compounds and then compared with previously obtained results for the iron coordinated network of the same family. Although none of these compounds show the characteristic λ shaped transition indicating magnetic ordering, all of them have unusually large values of the constant γ, which indicates significant magnetic contribution to the observed specific heat, since the free electron contribution in these observed families is negligible. We have concluded that total spin of the transitional metal plays a more important role than the distance between ions within the chain in determining magnitude of interaction, and that (N3)2 is a better facilitator of ferromagnetic interaction between ions than Cl2. / Physics

Peatlands are a diverse type of wetland ecosystem, characterized by high levels of soil organic matter, that provide a wide array of ecosystem services including water storage and filtration, carbon sequestration, and unique habitats. Draining peatlands degrades their resilience to future disturbances, notably including high intensity, soil-consuming fires. Peat soil fires are unique in that they can smolder vertically through the soil column, with consequences ranging from large carbon emissions to altered hydrology and dramatic shifts in vegetation communities. In this work we had two complementary objectives to understand both the drivers and impacts of smoldering fires at the Great Dismal Swamp (VA and NC, USA). First, we developed and verified a new method to model peat burn depths with readily available water level and peat hydraulic property data. Our findings suggest that drainage weakens both short- and long-term controls on peat burn depths by reducing soil moisture and by decreasing peat water holding capacity. To address the impacts of smoldering fires, we quantified the abundance of the noxious Phragmites australis in a large fire scar and the extent to which altered hydrology influenced its occurrence. We did so by leveraging satellite imagery, random forest models, LiDAR data, and water table observations. Our results suggest that P. australis is aided by a hydrologic regime generated, in part, from the combined effects of drainage and deep smoldering fires. Our conclusions from these two studies contribute to the scientific understanding of smoldering peat fires and can inform management efforts. / Master of Science / Peatlands are a diverse type of wetland ecosystem that have characteristically thick levels of organic-rich soil, known as peat. Peatlands are home to a variety of unique plants and animals, store large amounts of carbon, and provide water storage functions. Peatlands were historically drained to enable development and conversion to other land usages, which had many unintended consequences like increasing their risk to wildfires that consume soil organic matter. An intense peat fire can smolder down through the peat, with impacts ranging from large releases of carbon to changes in water levels and vegetation communities. In this work we had two objectives aimed at understanding the drivers and impacts of smoldering peat fires in the Great Dismal Swamp (GDS) (VA and NC, USA). First, we developed and verified a new method of modeling how deep peat fires burn by using readily available water level and soil property data. Our findings suggest that drainage weakens both the short- and long-term controls on peat fire burn depths by reducing soil moisture and by limiting the ability of peats to hold water. We also studied how water levels in a post-peat consuming fire environment influence the amount of the weedy Phragmites australis. We did so by using satellite imagery, elevation data, and water table observations. Results from this investigation suggest that the combined effects of drainage and deep smoldering fires help to create ideal conditions for P. australis invasion and establishment. Our findings from these two studies add to the scientific understanding of smoldering peat fires and may inform land management decisions.