Les réactions multicomposant à base d'isonitrile (I-MCR) combinées à des transformations de post-condensation constituent des outils de synthèse extrêmement puissants pour la préparation de structures moléculaires complexes et diverses avec de nouvelles propriétés pharmacologiques.Dans un premier temps, nous nous sommes intéressés à l'extension du couplage de Ugi-Smiles aux dérivés de purines, en utilisant la 6-mercaptopurine comme partenaire de couplage. Cette méthodologie permet un accès direct et rapide aux dérivés d'adénine avec des rendements modérés à bons à partir de précurseurs simples et facilement accessibles.Par la suite, nous avons démontré que les produits d'addition Ugi dérivés d'aldéhydes aromatiques peuvent être convertis en 2-pyrrolines par addition d'accepteurs de Michael, sous irradiation par micro-ondes. La réaction peut se dérouler via la formation inhabituelle d’ylures azométhines suivie d'une cycloaddition [3 + 2] avec des accepteurs de Michael.Enfin, nous avons montré que les adduits Passerini issus de cinnamaldéhyde peuvent être efficacement convertis en α-cétoamides lorsqu'ils sont traités en milieu basique et dans des conditions de chauffage sous irradiations micro-ondes. / The isocyanide based multicomponent reactions (I-MCRs) with subsequent post-condensation transformations constitute extremely powerful synthetic tools for the preparation of structurally diverse complex molecules with novel properties.In this context, we first investigated the extension of Ugi-Smiles coupling to purines, by using 6-mercaptopurine as coupling partner. This methodology allows direct access to adenine derivatives in moderate to good yields starting from readily available precursors.Then, we demonstrated that Ugi adducts derived from aromatic aldehydes may be converted to pyrrolines via addition of Michael acceptors under microwave irradiation. The reaction may proceed via unusual formation of azomethine ylides followed by a [3+2] cycloaddition using Michael acceptors.Finally, we described that the Passerini adducts of cinnamaldehyde and analogues may be efficiently converted into α-ketoamides when heated with a base under microwave conditions.

Les réactions multicomposants représentent un axe de recherche important en chimie organique. La capacité de regrouper en une même réaction plus de trois produits départs est la base de synthèse de molécules complexes proches de composés bioactifs. Par ailleurs, de part leur diversité, ces réactions sont des outils précieux pour la réalisation de librairies dans la recherche pharmaceutique. Les réactions multicomposants à base d'isonitrile, particulièrement la réaction Ugi, sont largement utilisées. Malgré les nombreuses applications de cette réaction, elle souffre encore de nombreuses limitations notamment lorsque des fonctionnalisations des adduits de Ugi sont recherchées sur la nouvelle position peptidyle crée. Du fait de fort encombrement stérique autour de cette position, seules des réactions intramoléculaires étaient décrites dans la littérature. Ainsi nous avons développé des stratégies efficaces pour la réalisation d'addition intermoléculaires sur des adduits d’Ugi. Nous avons exploré la formation de dianions 1,3-amide permettant d'augmenter la nucléophilie de nos composés et de réaliser des alkylations avec différents agents électrophiles à température ambiante et avec d'excellents rendements. Une application très simple de cette approche a été réalisée en couplant l'allylation de la position peptidyle à une réaction de metathèse cyclisante. Ceci pourrait être réalisé en introduisant un fragment allylique dans les produits de départ d’Ugi, nécessaire pour la métathèse. Les piperidines et pipéridones formées appartiennent à des classes de produits très exploitées dans le domaine pharmaceutique. Par ailleurs, poursuivant sur le potentiel de ces dianions 1,3-amides, nous avons voulu piéger ces intermédiaires par des électrophiles plus complexes nous permettant de former des dérivés cycliques. L'utilisation du diiodométhane en particulier, nous a permis d'ouvrir une voie très prometteuse dans la synthèse de β-lactames. Non limitée aux produits d’Ugi, des amides beaucoup plus simples issus d'esters maloniques ont pu être aussi transformés en β-lactames. En plus, les activités biologiques de ces β-lactames nouvellement synthétisées ont été examinées. Enfin, nous avons étendu cette approche à la formation de pyrrolidinones en une séquence monotope d'alkylation/cyclisation en travaillant sur la propargylation de ces adduits d’Ugi. La fonction énamine des 5-méthylène-pyrrolidin-2-ones synthétisées a pu être exploitée dans la reaction de Pictet-Spengler permettant la synthèse de dérivés de benzoindolizidine proches de différents alcaloïdes naturels. Néanmoins, la cascade propargylation/Pictet-Spengler a pu être réalisée avec succès dans une seule étape avec de bons rendements. / Multicomponent reactions represent an important line of research in organic chemistry. It permits the reaction between three or more starting materials, providing adducts which are considered as synthons for the syntheses of complex molecules close to bioactive compounds. As a result of their diversity, these reactions are considered as valuable tools for the preparation of libraries of organic structures in the pharmaceutical research field. The isonitrile-based multicomponent reactions, particularly the Ugi reaction, are the most frequently employed. Despite the wide applications of this reaction, it still suffers from numerous limitations, particularly when the newly formed peptidyl position is involved in the post-condensation reactions. Due to the steric hindrance around this position, only intramolecular reactions were described in the literature. Thus we have developed effective strategies for the intermolecular reactions involving Ugi adducts through the formation of 1,3-amide dianions to increase their nucleophilicity. Accordingly, such intermediates undergo alkylation reactions with different electrophilic agents at room temperature and with excellent yields. A very simple application of this approach has been attained by coupling the allylation at the peptidyl position to a ring closure metathesis reaction. This could be achieved by introducing an allylic fragment into the starting Ugi materials, necessary for metathesis. Such protocol allowed the synthesis of various piperidines and piperidones derivatives. Moreover, examining the potential of these 1,3-amide dianion intermediates by employing more complex electrophiles, allowed us to prepare cyclic derivatives. The use of diiodomethane in particular, has opened an access to a very promising way in the synthesis of β-lactams. Simpler malonic ester amides and their derivatives could also be converted to β-lactams following the same strategy, hence, it is not only limited to Ugi adducts. Additionally, the biological activities of such newly synthesized β-lactams were examined. Finally, we extended this approach to the preparation of pyrrolidinones through an alkylation/cyclization sequence via the propargylation of these Ugi adducts. The enamine functional group in the synthesized 5-methylene-pyrrolidin-2-ones could be exploited in a Pictet-Spengler reaction allowing the synthesis of benzoindolizidine derivatives, which are close in structure to natural alkaloids. Nevertheless, the propargylation/Pictet-Spengler cascade could be successfully performed in a one-pot reaction with good yields.

Theoretical aspects of multicomponent superconductivity and systemswith competing interactions are studied using Monte Carlo techniques.Motivated by recent experimental and theoretical results of complex struc-ture formation of vortices in multicomponent systems, possible vortex struc-ture formations due to vortex interactions that are not purely attractive orrepulsive are considered. Vortex structures such as clusters, superclusters,hierarchical structure formation, stripes, gossamer patters, glassy phases, aswell as checkerboard lattices and loops are demonstrated to be possible.The order of the superconducting phase transition is considered for multi-component lattice London superconductors. The phase transition is demon-strated to be either rst-order or continuous depending on the strength of asymmetry-breaking Josephson intercomponent interaction. It is argued thatthe rst-order phase transition is caused by a vortex phase separation due toa uctuation-induced attractive interaction between vortex lines. / <p>QC 20151117</p>

A mathematical model for the drying of particulate solids in a continuous vibrated fluidised bed dryer was developed and applied to the drying of grain wetted with a single liquid and porous particles containing multicomponent liquid mixtures. Simple equipment and material models were applied to describe the process. In the plug-flow equipment model, a thin layer of particles moving forward and well mixed in the direction of the gas flow was regarded; thus, only the longitudinal changes of particle moisture content and composition as well as temperature along the dryer were considered. Concerning the material model, mass and heat transfer in a single isolated particle was studied. For grain wetted with a single liquid, mass and heat transfer within the particles was described by effective transfer coefficients. Assuming a constant effective mass transport coefficient and effective thermal conductivity of the wet particles, analytical solutions of the mass and energy balances were obtained. The variation of both transport coefficients along the dryer was taken into account by a stepwise application of the analytical solution in space intervals with non-uniform inlet conditions and averaged coefficients from previous locations in the dryer. Calculation results were verified by comparison with experimental data from the literature. There was fairly good agreement between experimental data and simulation but the results depend strongly on the correlation used to calculate heat and mass transfer coefficients.   For the case of particles containing a multicomponent liquid mixture dried in the vibrated fluidised bed dryer, interactive diffusion and heat conduction were considered the main mechanisms for mass and heat transfer within the particles. Assuming a constant matrix of effective multicomponent diffusion coefficients and thermal conductivity of the wet particles, analytical solutions of the diffusion and conduction equations were obtained. The equations for mass transfer were decoupled by a similarity transformation and solved simultaneously with conduction equation by the variable separation method. Simulations gave a good insight into the selectivity of the drying process and can be used to find conditions to improve aroma retention during drying.   Also, analytical solutions of the diffusion and conduction equations applied to liquid-side-controlled convective drying of a multicomponent liquid film were developed. Assuming constant physical properties of the liquid, the equations describing interactive mass transfer are decoupled by a similarity transformation and solved simultaneously with conduction equation and the ordinary differential equation that describes the changes in the liquid film thickness. Variations of physical properties along the process trajectory were taken into account as in the previous cases. Simulation results were compared with experimental data from the literature and a fairly good agreement was obtained. Simulations performed with ternary liquid mixtures containing only volatile components and ternary mixtures containing components of negligible volatility showed that it is difficult to obtain an evaporation process that is completely controlled by the liquid-side mass transfer. This occurs irrespective of the initial drying conditions.   Despite simplifications, the analytical solution of the material model gives a good insight into the selectivity of the drying process and is computationally fast. The solution can be a useful tool for process exploration and optimisation. It can also be used to accelerate convergence and reduce tedious and time-consuming calculations when more rigorous models are solved numerically. / QC 20110614

Due to the ever increasing concerns about pollutants and contaminants found in water, new treatment technologies have been developed. Ozonation is one of such technologies. It has been widely applied in the treatment of pollutants in water and wastewater treatment processes. Ozone has many applications such as oxidation of organic components, mineral matter, inactivation of viruses, cysts, bacteria, removal of trace pollutants like pesticides and solvents, and removal of tastes and odours. Ozone is the strongest conventional oxidant that can result in complete mineralisation of the organic pollutants to carbon dioxide and water. Because ozone is unstable, it is generally produced onsite in gas mixtures and is immediately introduced to water using gas/liquid type reactors (e.g. bubble columns). The ozone reactions are hence of the type gas liquid reactions, which are complex to model since they involve both chemical reactions, which occur in the liquid phase, and mass transfer from the gas to the liquid phase. This study focuses on two aspects: mass transfer and chemical reactions in multicomponent systems. The mass transfer parameters were determined by experiments under different conditions and the chemical reactions were studied using single component and multicomponent systems. Two models obtained from the literature were adapted to the systems used in this study. Mass transfer parameters in the semi-batch reactor were determined using oxygen and ozone at different flow rates in the presence and absence of t-butanol. t-Butanol is used as a radical scavenger in ozonation studies and it has been found to affect the gas¿liquid mass transfer rates. An experimental study was carried out to investigate the effects of t-butanol concentrations on the physical properties of aqueous solutions, including surface tension and viscosity. It was found that t-butanol reduced both properties by 4% for surface tension and by a surprising 30% for viscosity. These reductions in the solution physical properties were correlated to enhancement in the mass transfer coefficient, kL. The mass transfer coefficient increased by about 60% for oxygen and by almost 50% for ozone. The hydrodynamic behaviour of the system used in this work was characterised by a homogeneous bubbling regime. It was also found that the gas holdup was significantly enhanced by the addition of t-butanol. Moreover, the addition of t-butanol was found to significantly reduce the size of gas bubbles, leading to enhancement in the volumetric mass transfer coefficient, kLa. The multicomponent ozonation was studied with two systems, slow reactions when alcohols were used and fast reactions when endocrine disrupting compounds were used. ii These experiments were simulated by mathematical models. The alcohols were selected depending on their volatilization at different initial concentrations and different gas flow rates. The degradation of n-propanol as a single compound was studied at the lowest flow rate of 200 mL/min. It was found that the degradation of n-propanol reached almost 60% within 4 hours. The degradation of the mixture was enhanced with an increase in the number of components in the mixture. It was found that the degradation of the mixture as three compounds reached almost 80% within four hours while the mixture as two compounds reached almost 70%. The effect of pH was studied and it was found that an increase in pH showed slight increase in the reaction. Fast reactions were also investigated by reacting endocrine disrupting chemicals with ozone. The ozone reactions with the endocrine disrupters were studied at different gas flow rates, initial concentrations, ozone concentrations and pH. The degradation of 17¿-estradiol (E2) as a single compound was the fastest, reaching about 90% removal in almost 5 minutes. However estrone (E1) degradation was the lowest reaching about 70% removal at the same time. The degradation of mixtures of the endocrine disruptors was found to proceed to lower percentages than individual components under the same conditions. During the multicomponent ozonation of the endocrine disruptors, it was found that 17¿-estradiol (E2) converted to estrone (E1) at the beginning of the reaction. A MATLAB code was developed to predict the ozone water reactions for single component and multicomponent systems. Two models were used to simulate the experimental results for single component and multicomponent systems. In the case of single component system, good simulation of both reactions (slow and fast) by model 1 was obtained. However, model 2 gave good agreement with experimental results only in the case of fast reactions. In addition, model 1 was applied for multicomponent reactions (both cases of slow and fast reaction). In the multicomponent reactions by model 1, good agreement with the experimental results was also obtained for both cases of slow and fast reactions. / Ministry of Higher Education in Libya and the Libyan Cultural Centre and Educational Bureau in London.

Extremely small pore size, low porosity, and ultra-low permeability are among the characteristics of shale rocks. In tight shale reservoirs, the nano-confinement effects that include large gas-oil capillary pressure and critical property shifts could alter the phase behaviors, thereby affecting the oil or gas production. In this research, two in-house simulation models, i.e., a compositionally extended black-oil model and a fully composition model are developed to examine the nano-pore confinement effects on convective and diffusive multicomponent multiphase fluid transport. Meanwhile, the effect of nano-confinement and rock intrinsic properties (porosity and tortuosity factor) on predicting effective diffusion coefficient are investigated. First, a previously developed compositionally extended black-oil simulation approach is modified, and extended, to include the effect of large gas-oil capillary pressure for modeling first contact miscible (FCM), and immiscible gas injection. The simulation methodology is applied to gas flooding in both high and very low permeability reservoirs. For a high permeability conventional reservoir, simulations use a five-spot pattern with different reservoir pressures to mimic both FCM and immiscible displacements. For a tight oil-rich reservoir, primary depletion and huff-n-puff gas injection are simulated including the effect of large gas-oil capillary pressure in flow and in flash calculation on recovery estimations. A dynamic gas-oil relative permeability correlation that accounts for the compositional changes owing to the produced gas injection is introduced and applied to correct for changes in interfacial tension (IFT), and its effect on oil recovery is examined. The results show that the simple modified black-oil approach can model well both immiscible and miscible floods, as long as the minimum miscibility pressure (MMP) is matched. It provides a fast and robust alternative for large-scale reservoir simulation with the purpose of flaring/venting reduction through reinjecting the produced gas into the reservoir for EOR. Molecular diffusion plays an important role in oil and gas migration in tight shale formations. However, there are insufficient reference data in the literature to specify the diffusion coefficients within porous media. Another objective of this research is to estimate the diffusion coefficients of shale gas, shale condensate, and shale oil at reservoir conditions with CO2 injection for EOR/EGR. The large nano-confinement effects including large gas-oil capillary pressure and critical property shifts could alter the phase behaviors. This study estimates the diffusivities of shale fluids in nanometer-scale shale rock from two perspectives: 1) examining the shift of diffusivity caused by nanopore confinement effects from phase change (phase composition and fluid property) perspective, and 2) calculating the effective diffusion coefficient in porous media by incorporating rock intrinsic properties (porosity and tortuosity factor). The tortuosity is obtained by using tortuosity-porosity relations as well as the measured tortuosity of shale from 3D imaging techniques. The results indicated that nano-confinement effects could affect the diffusion coefficient through altering the phase properties, such as phase compositions and densities. Compared to bulk phase diffusivity, the effective diffusion coefficient in porous shale rock is reduced by 102 to 104 times as porosity decreases from 0.1 to 0.03. Finally, a fully compositional model is developed, which enables us to process multi-component multi-phase fluid flow in shale nano-porous media. The validation results for primary depletion, water injection, and gas injection show a good match with the results of a commercial software (CMG, GEM). The nano-confinement effects (capillary pressure effect and critical property shifts) are incorporated in the flash calculation and flow equations, and their effects on Bakken oil production and Marcellus shale gas production are examined. The results show that including oil-gas capillary pressure effect could increase the oil production but decrease the gas production. Inclusion of critical property shift could increase the oil production but decrease the gas production very slightly. The effect of molecular diffusion on Bakken oil and Marcellus shale gas production are also examined. The effect of diffusion coefficient calculated by using Sigmund correlation is negligible on the production from both Bakken oil and Marcellus shale gas huff-n-puff. Noticeable increase in oil and gas production happens only after the diffusion coefficient is multiplied by 10 or 100 times. / Doctor of Philosophy / Shale reservoir is one type of unconventional reservoir and it has extremely small pore size, low porosity, and ultra-low permeability. In tight shale reservoirs, the pore size is in nanometer scale and the oil-gas capillary pressure reaches hundreds of psi. In addition, the critical properties (such as critical pressure and critical temperature) of hydrocarbon components will be altered in those nano-sized pores. In this research, two in-house reservoir simulation models, i.e., a compositionally extended black-oil model and a fully composition model are developed to examine the nano-pore confinement effects on convective and diffusive multicomponent multiphase fluid transport. The large nano-confinement effects (large gas-oil capillary pressure and critical property shifts) on oil or gas production behaviors will be investigated. Meanwhile, the nano-confinement effects and rock intrinsic properties (porosity and tortuosity factor) on predicting effective diffusion coefficient are also studied.

Aposematic signals advertise chemical defense or other forms of unprofitability to predators and may be parasitized by dishonest signallers through Batesian mimicry. Warning signals do not provide perfect avoidance, however, meaning many aposematic phenotypes evolve to balance between signal saliency and mitigating detection. For Batesian mimics the cost of a predator encounter should be greater, which begs the question of whether imperfect mimicry leads Batesian mimics to exhibit more muted signals than their models. I sought to test this hypothesis and other related hypotheses using the Ameerega-Allobates poison frog mimicry complex native to the Ecuadorian Amazonian rainforest. In Chapter 2 I found that, while many elements of the mimic’s signal were less salient than in the model, the mimic had higher detectability than the model. I also found that saliency discrepancies across colour patches produced variation in detectability across different body postures and viewing angles in both species. In Chapter 3 I turned my focus to how the balance between cryptic and salient signal elements changes across ontogeny, and how shifts in that balance may affect detectability. I found that both species undergo ontogenetic colour change, with the mimic improving in resemblance to the model as it developed and the model refining its aposematic signal as it grew. These colour changes impacted the crypsis efficacy of the mimic in that different colour stages had differential detectability. In Chapter 4 I tested for behavioural associations with the ontogenetic increase in mimetic fidelity in Al. zaparo. I found that colouration alone did not explain variation in behaviour, and that body size and environmental conditions impacted boldness and activity. / Dissertation / Doctor of Philosophy (PhD) / Antipredator colouration can take many different forms and can function according to different underlying strategies. Crypsis, also known as camouflage, operates by evading detection – effective crypsis means that predators don’t see the prey in the first place, increasing the prey’s survival. Using crypsis as an antipredator strategy means that a species should only occupy space where its colours blend in, however, and when hiding from predators it’s difficult to attend to other ecological needs like foraging, conquering and/or defending territory, or pursuing reproduction. These opportunity costs are thought to be reduced under aposematism, or ‘warning colouration’, where an animal evolves bright colouration that advertises some sort of secondary defense like toxic stings or secretions. Aposematic protection stems from standing out in the environment and being distinguishable from other prey, providing reduced predator attention across contexts such as foraging, reproduction, thermoregulation, or simple movement throughout the environment. These benefits can then be parasitized by a dishonest ‘mimic’ species which has no chemical defense but copies the warning signal of a ‘model’. Warning signal protection isn’t perfect, however, and most aposematic species still experience some form of predation threat. This means that there may be a limit to how conspicuous a signal an aposematic species is favoured to evolve. Accordingly, evidence shows that aposematic species incorporate both cryptic and aposematic elements into their colouration. The aim of this thesis is to examine how this balance is achieved by a poison frog and a non-toxic mimic, how this balance may change across development, and whether there are behavioural implications of changes in colour strategy. I found that both species have evolved a salient colour patch that they can flexibly expose or hide to modulate their detectability. I also found that the balance between crypsis and aposematism in the mimic and model shifts over time through developmental colour change. Lastly, I found that body size and environmental conditions affect behaviour in developing individuals of the mimic species.

We analyze a number of systems of evolution equations that arise in the study of physical chemistry. First we discuss the well-posedness of a system of mixing compressible barotropic multicomponent flows. We discuss the regularity of these variational solutions, their existence and uniqueness, and we analyze the emergence of a novel type of entropy that is derived for the system of equations. Next we present a numerical scheme, in the form of a discontinuous Galerkin (DG) finite element method, to model this compressible barotropic multifluid. We find that the DG method provides stable and accurate solutions to our system, and that further, these solutions are energy consistent; which is to say that they satisfy the classical entropy of the system in addition to an additional integral inequality. We discuss the initial-boundary problem and the existence of weak entropy at the boundaries. Next we extend these results to include more complicated transport properties (i.e. mass diffusion), where exotic acoustic and chemical inlets are explicitly shown. We continue by developing a mixed method discontinuous Galerkin finite element method to model quantum hydrodynamic fluids, which emerge in the study of chemical and molecular dynamics. These solutions are solved in the conservation form, or Eulerian frame, and show a notable scale invariance which makes them particularly attractive for high dimensional calculations. Finally we implement a wide class of chemical reactors using an adapted discontinuous Galerkin finite element scheme, where reaction terms are analytically integrated locally in time. We show that these solutions, both in stationary and in flow reactors, show remarkable stability, accuracy and consistency. / text

Overpressure, or abnormally low effective pressures, is hazardous in drilling operations and construction of sea-bottom facilities in deepwater environments. Estimation of the locations of overpressure can improve safety in these operations and significantly reduce overall project costs. Propagation velocities of both seismic P and S wave are sensitive to bulk elastic parameters and density of the sediments, which can be related to porosity, pore fluid content, lithology, and effective pressures. Overpressured areas can be analyzed using 4C seismic reflection data, which includes P-P and P-SV reflections. In this thesis, the effects on compressional (P) and shear (S) wave velocities are investigated to estimate the magnitude and location of excess pore pressure utilizing Eaton’s approach for pressure prediction (Eaton, 1969). Eaton’s (1969) method relates changes in pore pressure to changes in seismic P-wave velocity. The underlying assumption of this method utilizes the ratio of observed P-wave velocity obtained from areas of both normal and abnormal pressure. This velocity ratio evaluated through an empirically determined exponent is then related to the ratio of effective stress under normal and abnormal pressure conditions. Effective stress in a normal pressured condition is greater than the effective stress value in abnormally overpressured conditions. Due to an increased sensitivity of variations in effective pressure to seismic interval velocity, Ebrom et al. (2003) employ a modified Eaton equation to incorporate the S-wave velocity in pore pressure prediction. The data preparation and subsequent observations of seismic P and S wave velocity estimates in this thesis represent a preliminary analysis for pore pressure prediction. Six 2D receiver gathers in the regional dip direction are extracted from six individual ocean-bottom 4C seismic recording nodes for P-P and P-SV velocity analysis. The receiver gathers employed have minimal pre-processing procedures applied. The main processing steps applied were: water bottom mute, 2D rotation of horizontal components to SV and SH orientation, deconvolution, and frequency filtering. Most the processing was performed in Matlab with a volume of scripts designed by research scientists from the University of Texas, Bureau of Economic Geology. In this thesis, fluid pressure prediction is estimated utilizing several 4C multicomponent ocean-bottom nodes in the Atlantis Field in deepwater Gulf of Mexico. Velocity analysis is performed through a ray tracing approach utilizing P-P and P-SV registration. A modified Eaton’s Algorithm is then used for pore pressure prediction using both P and S wave velocity values. I was able to successfully observe both compressional and shear wave velocities to sediment depths of approximately 800 m below the seafloor. Using Hamilton (1972, 1976) and Eberhart-Phillips et al. (1989) regressions as background depth dependent velocity values and well-log derived background effective pressure values from deepwater Gulf of Mexico, I am able to solve for predicted effective pressure for the study area. The results show that the Atlantis subsurface study area experiences a degree of overpressure. / text

A numerical model for inductive plasma wind tunnels is developed. This model provides the flow conditions at the edge of a boundary layer in front of a thermal protection material placed in the plasma jet stream at the outlet of an inductive torch. The governing equations for the hydrodynamic field are derided from the kinetic theory. The electromagnetic field is deduced from the Maxwell equations. The transport properties of partially ionized and unmagnetized plasma in weak thermal nonequilibrium are derived from the Boltzmann equation. A kinetic data base of transport collision integrals is given for the Martian atmosphere. Multicomponent transport algorithms based upon Krylov subspaces are compared to mixture rules in terms of accuracy and computational cost. The composition and thermodynamic properties in local thermodynamic equilibrium are computed from the semi-classical statistical mechanics. The electromagnetic and hydrodynamic fields of an inductive wind tunnel is presented. A total pressure measurement technique is thoroughly investigated by means of numerical simulations.