This thesis investigates fundamental flows of resistive magnetohydrodynamics (MHD) by a new numerical tool based on the gas-kinetic method. The motivation for this work stems from the need to analyze the mechanisms of plasma detachment in the exhaust plume of the magnetoplasma rocket known as VASIMRR. This rocket has great potential for reducing the travel time for deep space exploration missions. However, it is very difficult to investigate detachment in ground-based experiments because this large-scale device can fully function only in a vacuum. This difficulty makes computational analysis and modeling an important part of the design and testing process. A parallelized Boltzmann-BGK continuum flow solver is expanded to include resistive MHD physics. This new code is validated against known solutions to MHD channel flows and new results are presented for simulations of a laminar round jet subject to a constant applied magnetic field as well as the diverging magnetic field of a current loop. Additionally, a parametric map is presented that outlines appropriate conditions required when using a fluid model for magnetic nozzle flows. The work of this thesis serves as an introductory step to developing a robust numerical ow solver capable of simulating magnetic nozzle flows and other plasmas that cannot be easily replicated in ground facilities.

<p>The study evaluated the Mutant Prevention Concentration (MPC) of Pradofloxacin on three Escherichia coli (E.coli) strains, 2 wildtypes and one first-step gyrA resistant mutant. We also measured the value of AUC (Under the Concentration)/MPC that prevents growth of resistant mutants. It is of importance to reach a concentration above MPC that prevent E.coli from developing resistance against the antibiotic.</p><p>We used an in vitro kinetic model where we added bacteria? and antibiotic. The culture flask was attached to a pump with an adjustable pump-speed. This made it possible to dilute the antibiotics in a satisfying elimination half-life (t1/2= 7 hours) pace. Samples were removed with a syringe at different times in the study. The samples where then cultured on agar- plates to enable counting of the viable colonies after incubation.</p><p>The optimal concentration to completely eradicate both E.coli wildtypes Nu14 and MG1655 with Pradofloxacin was Cmax ≥8 times MPC and AUC/MPC then became73. Additional experiments needs to be done on the resistant mutant LM378 before we can determine the optimal concentration. But results so far indicate that the concentration of Cmax would be about 8-12 timesMPC to completely eradicate that mutant.</p>

Despite significant advancements in the understanding of fluid flows, combustion and material technologies, hypersonic flight still presents numerous technological challenges. In hypersonic vehicles turbulence is critical in controlling heat generation in the boundary layer, mixing inside the combustor, generation of acoustic noise, and mass flow in the intake. The study of turbulence in highly compressible flows is challenging compared to incompressible due to a drastic change in the behavior of pressure and a relaxation of the incompressibility constraint. In addition fluid flow inside a flight vehicle is complicated by wall-effects, heat generation and complex boundary conditions. Homogeneous shear flow contains most of the relevant physics of boundary and mixing layers without the aforementioned complicating effects. In this work we aim to understand and characterize the role of pressure, velocity-pressure interaction, velocity-thermodynamics interaction in the late-stage transition-to-turbulence regime in a high speed shear dominated flow by studying the evolution of perturbations in in a high Mach number homogeneous shear flow. We use a modal-analysis based approach towards understanding the statistical behavior of turbulence. Individual Fourier waves constituting the initial flow field are studied in isolation and in combination to understand collective statistical behavior. We demonstrate proof of concept of novel acoustic based strategies for controlling the onset of turbulence. Towards this goal we perform direct numerical simulations (DNS) in three studies: (a) development and evaluation of gas kinetic based numerical tool for DNS of compressible turbulence, and perform detailed evaluation of the efficacy of different interpolation schemes in capturing solenoidal and dilatational quantities, (b) modal investigation in the behavior of pressure and isolation of linear, non-linear, inertial and pressure actions, and (c) modal investigation in the possible acoustic based control strategies in homogeneously sheared compressible flows. The findings help to understand the manifestation of the effects of compressibility on transition and turbulence via the velocity-pressure interactions and the action of individual waves. The present study helps towards the design of control mechanisms for compressible turbulence and the development of physically consistent pressure strain correlation models.

The study evaluated the Mutant Prevention Concentration (MPC) of Pradofloxacin on three Escherichia coli (E.coli) strains, 2 wildtypes and one first-step gyrA resistant mutant. We also measured the value of AUC (Under the Concentration)/MPC that prevents growth of resistant mutants. It is of importance to reach a concentration above MPC that prevent E.coli from developing resistance against the antibiotic. We used an in vitro kinetic model where we added bacteria? and antibiotic. The culture flask was attached to a pump with an adjustable pump-speed. This made it possible to dilute the antibiotics in a satisfying elimination half-life (t1/2= 7 hours) pace. Samples were removed with a syringe at different times in the study. The samples where then cultured on agar- plates to enable counting of the viable colonies after incubation. The optimal concentration to completely eradicate both E.coli wildtypes Nu14 and MG1655 with Pradofloxacin was Cmax ≥8 times MPC and AUC/MPC then became73. Additional experiments needs to be done on the resistant mutant LM378 before we can determine the optimal concentration. But results so far indicate that the concentration of Cmax would be about 8-12 timesMPC to completely eradicate that mutant.

No description available.

A careful study of plasma-material interactions is essential to understand and improve the operation of devices where plasma contacts a wall such as plasma thrusters, fusion devices, spacecraft-environment interactions, to name a few. This work aims to advance our understanding of fundamental plasma processes pertaining to plasma-material interactions, sheath physics, and kinetic instabilities through theory and novel numerical simulations. Key contributions of this work include (i) novel continuum kinetic algorithms with novel boundary conditions that directly discretize the Vlasov/Boltzmann equation using the discontinuous Galerkin method, (ii) fundamental studies of plasma sheath physics with collisions, ionization, and physics-based wall emission, and (iii) theoretical and numerical studies of the linear growth and nonlinear saturation of the kinetic Weibel instability, including its role in plasma sheaths. The continuum kinetic algorithm has been shown to compare well with theoretical predictions of Landau damping of Langmuir waves and the two-stream instability. Benchmarks are also performed using the electromagnetic Weibel instability and excellent agreement is found between theory and simulation. The role of the electric field is significant during nonlinear saturation of the Weibel instability, something that was not noted in previous studies of the Weibel instability. For some plasma parameters, the electric field energy can approach magnitudes of the magnetic field energy during the nonlinear phase of the Weibel instability. A significant focus is put on understanding plasma sheath physics which is essential for studying plasma-material interactions. Initial simulations are performed using a baseline collisionless kinetic model to match classical sheath theory and the Bohm criterion. Following this, a collision operator and volumetric physics-based source terms are introduced and effects of heat flux are briefly discussed. Novel boundary conditions are developed and included in a general manner with the continuum kinetic algorithm for bounded plasma simulations. A physics-based wall emission model based on first principles from quantum mechanics is self-consistently implemented and demonstrated to significantly impact sheath physics. These are the first continuum kinetic simulations using self-consistent, wall emission boundary conditions with broad applicability across a variety of regimes. / Ph. D. / An understanding of plasma physics is vital for problems on a wide range of scales: from large astrophysical scales relevant to the formation of intergalactic magnetic fields, to scales relevant to solar wind and space weather, which poses a significant risk to Earth’s power grid, to design of fusion devices, which have the potential to meet terrestrial energy needs perpetually, and electric space propulsion for human deep space exploration. This work aims to further our fundamental understanding of plasma dynamics for applications with bounded plasmas. A comprehensive understanding of theory coupled with high-fidelity numerical simulations of fundamental plasma processes is necessary, this then can be used to improve improve the operation of plasma devices. There are two main thrusts of this work. The first thrust involves advancing the state-of-the-art in numerical modeling. Presently, numerical simulations in plasma physics are typically performed either using kinetic models such as particle-in-cell, where individual particles are tracked through a phase-space grid, or using fluid models, where reductions are performed from kinetic physics to arrive at continuum models that can be solved using well-developed numerical methods. The novelty of the numerical modeling is the ability to perform a complete kinetic calculation using a continuum description and evolving a complete distribution function in phase-space, thus resolving kinetic physics with continuum numerics. The second thrust, which is the main focus of this work, aims to advance our fundamental understanding of plasma-wall interactions as applicable to real engineering problems. The continuum kinetic numerical simulations are used to study plasma-material interactions and their effects on plasma sheaths. Plasma sheaths are regions of positive space charge formed everywhere that a plasma comes into contact with a solid surface; the charge inequality is created because mobile electrons can quickly exit the domain. A local electric field is self-consistently created which accelerates ions and retards electrons so the ion and electron fluxes are equalized. Even though sheath physics occurs on micro-scales, sheaths can have global consequences. The electric field accelerates ions towards the wall which can cause erosion of the material. Another consequence of plasma-wall interaction is the emission of electrons. Emitted electrons are accelerated back into the domain and can contribute to anomalous transport. The novel numerical method coupled with a unique implementation of electron emission from the wall is used to study plasma-wall interactions. While motivated by Hall thrusters, the applicability of the algorithms developed here extends to a number of other disciplines such as semiconductors, fusion research, and spacecraft-environment interactions.

[pt] A drenagem ácida de minas (DAM) é um problema ambiental capaz de comprometer a qualidade dos recursos hídricos, que decorre da oxidação de sulfetos. A adoção de medidas corretivas e/ou preventivas dependerá do programa de predição escolhido, este geralmente inclui testes do potencial de geração de acidez (método estático), e da velocidade com que ocorre o processo (método cinético). No presente trabalho avaliou-se o potencial de geração de DAM usando o teste de Balanço Ácido Base Modificada (BABM), e monitorou-se a qualidade da água da drenagem dos rejeitos, durante 23 semanas, usando o método das colunas de lixiviação segundo a Acid Drainage Technology Initiative, para amostras de rejeitos provenientes da Carbonífera Criciúma e da Carbonífera Metropolitana. As duas amostras da Carbonífera Criciúma (SRA e SRB) apresentaram potencial de geração de acidez e as amostras da Metropolitana apresentam um pequeno risco de gerar acidez, segundo os resultados do BABM. Porém os resultados do método cinético, para todos os casos, mostram valores de pH menores que 4 e valores crescentes para a concentração do SO4 -2, acidez e o Eh, que mostra que são geradoras de DAM. Deve se ter em conta que o teste de BABM não leva em consideração a cinética das reações para a produção de acidez e sua neutralização. Os valores de concentração para o Zn, Mn e Al excedem os padrões de qualidade de água (segundo a Resolução No 357, CONAMA). No caso do Pb, os resultados não foram conclusivos devido ao alto limite de detecção do equipamento. Utilizando o modelo do núcleo não reagido, a etapa controladora da taxa de oxidação para a pirita (de FeS2 a SO4 -2) para as amostras SRA e SRB foi transferência de massa através da camada limite, com tempos teóricos para conversão completa (t) de 2,7 e 1,6 anos respectivamente, para as condições ensaiadas. A outra amostra da Carbonífera Criciúma (VR) apresentou como etapa controladora nas semanas iniciais a transferência de massa através da camada cinza e nas semanas finais a reação química propriamente dita, sendo t estimado em 3,4 anos para as condições ensaiadas. / [en] The acid rock mine drainage (ARD) arising from sulfides oxidation in mining areas is a serious environmental problem that markedly affects the quality of the surrounding water. Choosing the measure for remediation and/or preventing pollution effect depends on a suitable evaluation through a prediction program, it has principally tests of the acid generation potential (static method), and rate of the corresponding chemical reactions (kinetic methods). The present study aimed to evaluate the potential of ARD of wastes from two coal mines Criciúma and Metropolitana, using a Modified Acid Base Accounting (MABA) and evaluated the drainage water quality during 23 weeks using leaching columns test according Acid Drainage Technology Initiative protocol. According MABA results two coal mine Criciúma Samples (SRA e SRB) indicated an acid generation potential, and Metropolitana samples present a small risk to generate acidity. However the kinetic method results, for all the samples present pH < 4 and increasing concentrations values for SO4 -2, acidity and Eh that indicate acid generation potential. The MABA test does not consider the reaction rate of acid production and its neutralizations reactions. The concentrations values of Zn, Mn and Al exceeds water quality standard (Resolução No 357, CONAMA). In the case of Pb the results were inconclusives due to the equipment high detection limit for this element. Shrinking Core Model was used to determinate rate control to pyrite oxidation kinetic (de FeS2 a SO4 -2). SRA and SRB samples the layer diffusion control was the control rate, with complete conversion theoretical time (t) of 2.7 and 1.6 years, respectively, for the test conditions. The Criciúma Coal Mine sample (VR) presents product layer diffusion as control rate at the beginning weeks and then the chemical reaction was the control rate at the final weeks of the test and for this control the calculated t was 3.4 years for the test conditions.

The data presented in this thesis is a comprehensive study on the nature of peptide structure and how subtle and systematic changes in sequence and sidechain affect the basicity, ion stability, and conformation of a peptide. The peptides characterized were acetylated polyalanine di-, tri-, and tetra- peptides containing a proton-accepting probe: lysine and or the non-proteinogenic lysine-homologs: ornithine, 2,4-diaminobutyric acid, and 2,3-diaminopropionic acid. Peptides were studied in isomeric pairs for which the basic amino acid was placed closest to the N-terminus or the C-terminus of each peptide family (A n Probe vs. ProbeA n ). Using a variety of mass spectrometry based techniques and infrared multiphoton dissociation ion spectroscopy, the isomeric families of polyalanine peptides were characterized. Quantum chemical techniques were employed in parallel to provide theoretical predictions of three-dimensional structure, physical properties (dipole moment, polarizability, and accessible surface area), thermochemical values, and vibrational IR spectra, to gain further understanding of the peptides studied and to push the limits of current theoretical models. Overall it was found that the AnProbe peptide was more basic than their ProbeAn isomer. For the dipeptide systems, the greater basicity of AProbe peptides was due to efficiently charge-solvated ions which formed more compact structures compared to their ProbeA counterpart. For the tri- and tetra- peptide systems, greater basicity of the A 2,3 Probe peptides was likely due to formation of α or 3 10 helix-like structures in the protonated forms., introducing the macrodipolar effect, which cooperatively encouraged helical formation while stabilizing the charged site. On the other hand, ProbeA 2,3 peptides formed charge-solvated coils which do not exhibit any kind of dipole effect, resulting in lower basicity than their A2,3Probe counterpart.