O objetivo desta tese é o estudo de formação de fuligem em chamas laminares de difusão. Para o modelo de formação de fuligem é escolhido um modelo semi-empírico de duas equações para prever a fração mássica de fuligem e o número de partículas de fuligem. O modelo descreve os processos de nucleação, de crescimento superficial e de oxidação das partículas. Para o modelo de radiação, a perda de calor por radiação térmica (gás e fuligem) é modelada considerando o modelo de gás cinza no limite de chama opticamente fina (OTA - Optically Thin Approximation). São avaliados diferentes modelos de cálculo das propriedades de transporte (detalhado e simplificado). Em relação à cinética química, tanto modelos detalhados quanto reduzidos são utilizados. No presente estudo, é explorada a técnica automática de redução conhecida como Flamelet Generated Manifold (FGM), sendo que esta técnica é capaz de resolver cinética química detalhada com tempos computacionais reduzidos. Para verificar o modelo de formação de fuligem foram realizados uma variedade de experimentos numéricos, desde chamas laminares unidimensionais adiabáticas de etileno em configuração tipo jatos opostos (counterflow) até chamas laminares bidimensionais com perda de calor de etileno em configuração tipo jato (coflow). Para testar a limitação do modelo os acoplamentos de massa e energia entre a fase sólida e a fase gasosa são investigados e quantificados para as chamas contra-corrente Os resultados mostraram que os termos de radiação da fase gasosa e sólida são os termos de maior importancia para as chamas estudas. Os termos de acoplamento adicionais (massa e propriedade termodinâmicas) são geralmente termos de efeitos de segunda ordem, mas a importância destes termos aumenta conforme a quantidade de fuligem aumenta. Como uma recomendação geral o acoplamento com todos os termos deve ser levado em conta somente quando a fração mássica de fuligem, YS, for igual ou superior a 0.008. Na sequência a formação de fuligem foi estudada em chamas bi-dimensionais de etileno em configuração jato laminar usando cinética química detalhada e explorando os efeitos de diferentes modelos de cálculo de propriedades de transporte. Foi encontrado novamente que os termos de radiação da fase gasosa e sólida são os termos de maior importância e uma primeira aproximação para resolver a chama bidimensional de jato laminar de etileno pode ser feita usando o modelo de transporte simplificado. Finalmente, o modelo de fuligem é implementado com a técnica de redução FGM e diferentes formas de armazenar as informações sobre o modelo de fuligem nas tabelas termoquímicas (manifold) são testadas A melhor opção testada neste trabalho é a de resolver todos os flamelets com as fases sólida e gasosa acopladas e armazenar as taxas de reação da fuligem por área de partícula no manifold. Nas simulações bidimensionais estas taxas são então recuperadas para resolver as equações adicionais de formação de fuligem. Os resultados mostraram uma boa concordância qualitativa entre as predições do FGM e da solução detalhada, mas a grande quantidade de fuligem no sistema ainda introduz alguns desafios para a obtenção de bons resultados quantitativos. Entretanto, este trabalho demonstrou o grande potencial do método FGM em predizer a formação de fuligem em chamas multidimensionais de difusão de etileno em tempos computacionais reduzidos. / The objective of this thesis is to study soot formation in laminar diffusion flames. For soot modeling, a semi-empirical two equation model is chosen for predicting soot mass fraction and number density. The model describes particle nucleation, surface growth and oxidation. For flame radiation, the radiant heat losses (gas and soot) is modelled by using the grey-gas approximation with Optically Thin Approximation (OTA). Different transport models (detailed or simplified) are evaluated. For the chemical kinetics, detailed and reduced approaches are employed. In the present work, the automatic reduction technique known as Flamelet Generated Manifold (FGM) is being explored. This reduction technique is able to deal with detailed kinetic mechanisms with reduced computational times. To assess the soot formation a variety of numerical experiments were done, from one-dimensional ethylene counterflow adiabatic flames to two-dimensional coflow ethylene flames with heat loss. In order to assess modeling limitations the mass and energy coupling between soot solid particles and gas-phase species are investigated and quantified for counterflow flames. It is found that the gas and soot radiation terms are of primary importance for flame simulations. The additional coupling terms (mass and thermodynamic properties) are generally a second order effect, but their importance increase as the soot amount increases As a general recommendation the full coupling should be taken into account only when the soot mass fraction, YS, is equal to or larger than 0.008. Then the simulation of soot is applied to two-dimensional ethylene co-flow flames with detailed chemical kinetics and explores the effect of different transport models on soot predictions. It is found that the gas and soot radiation terms are also of primary importance for flame simulations and that a first attempt to solve the two-dimensional ethylene co-flow flame can be done using a simplified transport model. Finally an implementation of the soot model with the FGM reduction technique is done and different forms for storing soot information in the manifold is explored. The best option tested in this work is to solve all flamelets with soot and gas-phase species in a coupled manner, and to store the soot rates in terms of specific surface area in the manifold. In the two-dimensional simulations, these soot rates are then retrieved to solve the additional equations for soot modeling. The results showed a good qualitative agreement between FGM solution and the detailed solution, but the high amount of soot in the system still imposes some challenges to obtain good quantitative results. Nevertheless, it was demonstrated the great potential of the method for predicting soot formation in multidimensional ethylene diffusion flames with reduced computational time.

We consider two models which lead to the prediction of a weight change of gyroscopes depending on the rate of rotation: mass-energy equivalence and Weber's force for gravitation. We calculate the order of magnitude of this effect in both models and show that Weber's model predicts a weight change depending on the spin axis orientation resembling close similarities to observed Earth flyby anomalies. however, our predicted effect is much smaller than the observed effect, which could explain why flyby anomalies were not detected anymore in recent spracecraft trajectories.

Les missions spatiales habitées de longue durée nécessitent des systèmes de support-vie efficaces recyclant l’air, l’eau et la nourriture avec un apport extérieur minimum en matière et énergie. L’air et l’eau peuvent être recyclés par des méthodes purement physico-chimiques, tandis que la production de nourriture ne peut être faite sans la présence d’organismes vivants. Le projet Micro-Ecological Life Support System Alternative (MELiSSA, alternative de système de support-vie micro-écologique) de l’Agence Spatiale Européenne inclut des plantes supérieures cultivées dans une chambre close contrôlée, associée à d’autres compartiments microbiens. Le contrôle à long terme de la chambre de culture et du système de support-vie entier requiert des modèles prédictifs efficaces. Le bouclage du bilan massique et la prédiction de la réponse de la plante dans un environnement extraterrestre inhabituel mettent en avant l’importance de modèles mécanistes basés sur le principe des bilans de matière et d’énergie.Une étude bibliographique poussée a été réalisée afin de lister et analyser les modèles de croissance de plantes supérieures existants. De nombreux modèles existent, ils simulent la plupart des processus de la plante. Cependant aucun des modèles structurés globaux n’est suffisamment mécaniste ni équilibré en terme d’échange de masse pour une application dans un système de support-vie clos. Ainsi, une nouvelle structure est proposée afin de simuler tous les termes du bilan massique au niveau de la plante, en incluant les différentes échelles de l’étude : les processus généraux, l’échelle de l’organe et l’échelle de la molécule. Les résultats d’une première approche utilisant des lois physiques mécanistes simples pour les échanges de matière et d’énergie, une stoechiométrie unique pour la production de biomasse et quelques lois empiriques pour la prédiction des paramètres architecturaux sont illustrés et comparés avec des résultats expérimentaux obtenus dans un environnement contrôlé. Une analyse mathématique du modèle est réalisée et tous ces résultats sont discutés afin de proposer les prochaines étapes de développement. Ceci est décrit en détail pour l’inclusion de modèles de processus plus complexes dans les futures versions du modèle ; les expériences qui devraient être réalisées ainsi que les mesures nécessaires sont proposées. Ceci conduit à la description d’une nouvelle conception de chambre de culture expérimentale. / For long-term manned space missions, it is necessary to develop efficient life support systems recycling air, water and food with a minimum supply of matter and energy. Air and water can be recycled from purely physico-chemical systems; however food requires se presence of living organisms. The Micro-Ecological Life Support System Alternative (MELiSSA) project of the European Space Agency includes higher plants grown in a closed and controlled chamber associated with other microbial compartments. The long-term control of the growth chamber and entire life support system requires efficient predictive models. The mass balance closure and the prediction in uncommon extraterrestrial environments highlight the importance of mechanistic models based on the mass and energy balances principles.An extensive bibliographic study has been performed in order to list and analyse the existing models of higher plant growth. Many models already exist, simulating most of the plant processes. However none of the global, structured models is sufficiently mechanistic and balanced in terms of matter exchange for an application in closed life support systems. Then a new structure is proposed in order to simulate all the terms of the mass balance at the plant level, including the different scales of study: general processes, organ scale and molecular scale. The results of the first approach using simple mechanistic physical laws for mass and energy exchange, a unique stoichiometry for biomass production and few empirical laws for the prediction of architectural parameters are illustrated and compared with experimental results obtained in a controlled environment. A mathematical analysis of the model is performed and all these results are discussed in order to propose further developments. This is described in detail for the implementation of more complex models of processes in the future model versions; the experiments that should be performed including the main measurements are proposed. This leads to the description of a new design of experimental growth chamber.

Face au changement climatique global, il est de plus en plus important de prêter attention à la performance thermique-hydro-mécanique des constructions géotechniques sous l'effet des conditions atmosphériques. L'objectif principal de cette étude est d'étudier le comportement hydro-thermique des sols soumis au effets du changement climatique par la modélisation numérique.Un modèle hydro-thermique couplé est tout d'abord développé pour décrire le comportement du sol hydro-thermique. La théorie utilisée pour décrire l'interaction sol-atmosphère est présentée sous forme des bilans de masse et d'énergie. Ensuite, une approche numérique pour analyser le comportement hydro-thermique du sol est proposée en combinant le modèle hydro-thermique couplé avec un modèle d'interaction sol-atmosphère. La validation de cette approche est réalisée par la comparaison entre les résultats numériques obtenus en utilisant le code FreeFem++ et les données des essais de la colonne de séchage qui sont trouvées dans la littérature. Cette approche est d'abord utilisée pour la modélisation numérique des essais à la chambre environnementale, réalisés par Song en 2014. Des résultats de simulation satisfaisants sont obtenus en termes de variations de la température et de la teneur en eau volumétrique du sol. Ensuite, cette approche est appliquée à deux remblais, à Héricourt et à Rouen. Pour le remblai d’Héricourt, une étude numérique a été menée pour une durée de 20 jours. La bonne concordance obtenue entre les résultats de simulation et les mesures montre que l'approche proposée est pertinente pour l'analyse du comportement hydro-thermique du sol dans le cas de remblais bidimensionnels. Elle prouve également que les conditions aux limites et les paramètres du sol adoptés sont appropriés. Dans le cas du remblai de Rouen, deux périodes différentes, 187 jours et 387 jours, sont prises en considération. On vérifie également la bonne performance de l'approche proposée pour estimer le comportement hydro-thermique du remblai sous l'effet du climat. La comparaison entre les calculs et les mesures révèle également l'importance d'adopter correctement les conditions aux limites thermiques et hydrauliques ainsi que les paramètres du sol. De plus, à partir des simulations numériques, plusieurs suggestions sont faites pour collecter des données d'entrée dans l'application de cette approche pour prédire les variations de la température et de la teneur en eau du sol à plus long terme / Facing the global climate change, it is more and more important to pay attention to the thermal-hydro-mechanical performance of geotechnical constructions under the effect of atmospheric conditions. The main objective of this study is to investigate the hydro-thermal behavior of soil subjected to climate change through numerical modelling.A coupled hydro-thermal model is developed for describing the coupled hydro-thermal soil behavior. The soil-atmosphere interaction is studied through the mass and energy balances. Afterwards, a numerical approach to estimate soil hydro-thermal behavior by integrating the coupled hydro-thermal model with a soil-atmosphere interaction model is proposed. The validation of this approach is performed through the comparison between the numerical results using FreeFem++ code and the experimental data available from column drying tests reported in literature. This approach is firstly used for the numerical modelling of the environmental chamber tests carried out by Song in 2014. Satisfactory simulation results are obtained in terms of variations of soil temperature and soil volumetric water content. Afterwards, this approach is further applied to two cases of embankments, in Héricourt and in Rouen respectively. For Héricourt embankment, a numerical investigation was conducted for 20 days, and a good agreement between simulation results and filed measurements is obtained, showing that the proposed approach is suitable for analyzing the soil hydro-thermal behavior in the case of two-dimensional embankments. It proves also that the boundary conditions and the soil parameters adopted are appropriate. In the case of Rouen embankment, two different periods, 187 days and 387 days, are considered. The good performance of the proposed approach in estimating the embankment hydro-thermal behavior under the climate effect is also verified. The comparison between calculations and measurements also reveals the importance of appropriately adopting the thermal and hydraulic boundary conditions as well as the soil parameters. Based on the numerical simulations, several suggestions are made in terms of collection of input data for the application of this approach to predict soil temperature and volumetric water content variations in longer term

In stainless steelmaking, around 68% of the total greenhouse gas emissions come from the processing of raw materials. Thus, it is important for steelmakers to make efforts together with their raw material suppliers to implement low-carbon initiatives. To facilitate such initiatives, assessment of raw materials will provide guidance. In this work, the assessment of materials consists of two parts: i) different production scenarios are studied by using a static process model coupled with life cycle assessment approach to investigate the reduction potential of environmental impacts for Mo and Ni alloys; ii) assessment of the effect of trace element content (phosphorus) in stainless steel scrap on steel’s manufacturing cost, resource consumption and environmental impact using an online static process model. The results show that the overall GHG emission of FeMo production varies between 3.16-14.79 t CO2-eq/t FeMo (i.e. 5.3-24.7 tCO2-eq/t Mo). The main variance comes from the mining and beneficiation stages and depends mainly on the ore’s beneficiation degree. However, whether molybdenum is extracted as a co-product from copper mine or not can have an even greater effect on the total GHG emission of molybdenum due to the allocation of the impacts.  In the case of nickel alloys, the GHG emissions for producing nickel metal, nickel oxide, ferronickel and nickel pig iron are 14, 30, 6 and 7 tCO2-eq/t alloy (i.e. 14, 40, 18, and 69 tCO2-eq/t Ni), respectively. Extracting sulfide ore through flash smelting process has been shown to have the least energy requirement and greenhouse gas emissions. In comparison to sulfide ore processing, oxide ore processed in an electric furnace is much more energy intensive and less environmental friendly primarily due to high content of gangue. However, by using a sustainable electricity source such as hydro-powered electricity, or applying a thermal heat recovery, it is possible to reduce the impact from electric furnace smelting of laterite. Furthermore, the use of stainless steel scraps with low phosphorous contents reduces slag amount, alloy consumption, production cost and carbon footprint. An estimation equation between phosphorous content and scrap’s value-in-use is obtained in the study to support the development of purchasing strategy. To conclude, the application of static process model based on mass and energy balance provides the possibility to assess raw materials’ environmental impact (energy consumption and GHG emissions) and to identify potentials to realize sustainable stainless steelmaking. / Vid tillverkning av rostfritt stål kommer cirka 68% av växthusgaserna ifrån råvaruanvändningen. Därför är det viktigt för ståltillverkare att göra en samordnad insats med sina levenrantörer för att reducera dessa utsläpp. Den här avhandlingen ämnar att undersöka råvaror ur två perspektiv: i) att utvärdera olika produktionsscenarier för  molybden och nickelleggeringar genom en statisk processmodell i kombination med livscykelanalys för att undersöka potentialen för att minska miljöbelastningen; ii) att undersöka hur spårämnesinnehållet (fosfor) i rostfritt stålskrot påverkar ståltillverkningskostnaden, resursförbrukningen och miljöpåverkan med ett webbaserat verktyg för processmodellen. Resultaten visar att växthusgasutsläppen från produktionen av FeMo varierar mellan 3.16-14.79 t CO2-eq/t FeMo (d.v.s. 5.3-24.7 tCO2-eq/t Mo). Variationen beror främst på malmets anrikningsgrad under malmbrytnings- och anrikningsprocessen. När molybden förekommer  i kopparmalm och utvinns som en co-produkt så kan det ha en större effekt på molybdens energiförbrukning och växthusgasutsläpp än vad malmens anrikningsgrad har. I fallet för tillverkning av nickelmetall, nickeloxid, ferronickel och nickeltackjärn är växthusgasutsläppen 14, 30, 6 respektive 7 tCO2-eq/t legering (motsvarande 14, 40, 18, respektive 69 tCO2-eq/t Ni). Användningen av sulfidmalm i flashsmältningsprocessen har visat sig ha lägst energibehov och växhusgasutsläpp medan användningen av oxidmalm i ljusbågsugn både är mer energiintensiv och utsläppsintensiv  på grund av en stor mängd oxider i nickelmalmen. Dessa utsläpp kan dock förbättras genom användningen av hållbar energi (till exempel el från vattenkraft), eller genom värmeåtervinning under processen. Utöver detta kan skrot med lågt fosforinnenhåll också användas vid tillverkningen av rostfritt stål för att minska slaggmängden, förbrukningen av legeringar, produktionskostnaden och växthusgasutläppen.  En ekvation mellan fosforinnehållet och skrotets värde föreslås här som underlag för att utveckla en inköpsstrategi för skrot. Sammanfattningsvis så kan en statisk processmodell baserad på mass- och energibalans tillämpas för att utvärdera råvarors miljöbelastning (energiförbrukning och växthusgasutsläpp) och identifiera potentialen för en hållbar tillverkning av rostfritt stål.

The aim of the diploma thesis was to determine, which nutritional supplements are selected by athletes of strength and endurance sports branches and what is the reason for their option. The theoretical part characterizes the 8 selected sports sector from point of view of the sport performance structure. There is also mentioned the issue of nutritional supplements, their division, legislation or general recommendations for the use in sport. The last chapter deals with the requirements for the use of nutritional supplements in different periods with respect to the branche of sport. Research part has specifically determined the nutritional strategy for athletes in the field of mentioned food supplements at strength and endurance-oriented sports disciplines by using the questionnaire. The research is supported by an interview with an expert nutritionist and sports through collaboration with the staff of the Centre for Sports of the Ministry of Interior

Předkládaná práce je zaměřena na numerické modelování spalování tuhých paliv na roštu metodami výpočtové dynamiky tekutin (CFD). Jelikož výsledky CFD simulací roštového spalování závisí na kvalitě vstupních dat, která zahrnují i údaje o teplotě, hmotnostním toku a chemickém složení spalin vystupujících z lože, pozornost je věnována především procesům, probíhajícím v loži během spalování na roštu. Velká část práce je věnována vývoji spolehlivého modelu spalování v sypaných ložích, jelikož může napomoci zkvalitnit výsledky simulací i rozšířit znalosti principů spalování tuhých paliv v sypaných ložích. V rámci práce byl vyvinut jednorozměrný nestacionární model spalování v experimentálním reaktoru a implementován do počítačového programu GRATECAL 1.3 včetně grafického uživatelského rozhraní. Zvláštní důraz byl kladen na konzervativnost modelu. Proto byla vyvinuta metoda pro kontrolu hmotnostní a energetické bilance systému a následně aplikována v řadě studií, v rámci nichž byly odhaleny některé chyby týkající se definic zdrojových členů, které byly převzaty z literatury a opraveny. Pomocí modelu byla provedena analýza šíření čela sušení a reakce hoření koksu po výšce lože pšeničné slámy. Na základě výsledků těchto analýz bylo doporučeno zahrnout i modelování změny porozity částic paliva, aby šířka reakční zóny byla predikována korektně v případě, že je uvažována změna porozity celého lože. Rovněž vyvinutá bilanční metoda byla použita k analýze vlivu kritérií konvergence na hmotnostní a energetickou nerovnováhu simulovaného systému. Bylo zjištěno, že škálovaná rezidua rovnic všech veličin by měla poklesnout aspoň na hodnotu $10^{-6}$, aby bylo dosaženo nízké hmotnostní a energetické nerovnováhy a tudíž uspokojivě přesných výsledků ze simulací v loži. Druhá část práce je věnována vývoji a implementaci knihovny uživatelem definovaných funkcí pro komerční CFD nástroj ANSYS FLUENT, které slouží k propojení modelu lože s modelem komory reálné spalovací jednotky, aby byla umožněna dynamická změna okrajových podmínek na vstupu do komory v závislosti na výstupech ze simulací v loži. Vytvořené rozhraní pro propojení těchto dvou modelů je dostatečně obecné pro aplikaci na širokou škálu modelů roštových kotlů. Popsané výsledky přispívají k lepšímu porozumění numerickému modelování spalování na roštu, a to zejména ve fázi sestavování numerického modelu a nastavení parametrů řešiče pro kontrolu konvergence.