The quasi-steady, spherically symmetric combustion of multicomponent isolated fuel droplets has been modeled using modified Shvab-Zeldovich variable mechanism. Newly developed modified Shvab-Zeldovich equations have been used to describe the gas phase reactions. Vapor-liquid equilibrium model has been applied to describe the phase change at the droplet surface. Constant gas phase specific heats are assumed. The liquid phase is assumed to be of uniform composition and temperature. Radiative heat transfer between the droplet and surroundings is neglected. The results of evaporation of gasoline with discrete composition of hydrocarbons have been presented. The evaporation rates seem to follow the pattern of volatility differentials. The evaporation rate constant was obtained as 0.344mm2/sec which compared well with the unsteady results of Reitz et al. The total evaporation time of the droplet at an ambience of 1000K was estimated to be around 0.63 seconds. Next, the results of evaporation of representative diesel fuels have been compared with previously reported experimental data. The previous experiments showed sufficient liquid phase diffusional resistance in the droplet. Numerical results are consistent with the qualitative behavior of the experiments. The quantitative deviation during the vaporization process can be attributed to the diffusion time inside the droplet which is unaccounted for in the model. Transient evaporation results have also been presented for the representative diesel droplets. The droplet temperature profile indicates that the droplet temperature does not reach an instantaneous steady state as in the case of single-component evaporation. To perform similar combustion calculations for multicomponent fuel droplets, no simple model existed prior to this work. Accordingly, a new simplified approximate mechanism for multicomponent combustion of fuel droplets has been developed and validated against several independent data sets. The new mechanism is simple enough to be used for computational studies of multicomponent droplets. The new modified Shvab-Zeldovich mechanism for multicomponent droplet combustion has been used to model the combustion characteristics of a binary alcohol-alkane droplet and validated against experimental data. Burn rate for the binary droplet of octanol-undecane was estimated to be 1.17mm2/sec in good concurrence with the experimental value of 0.952mm2/sec obtained by Law and Law. The model has then been used to evaluate the combustion characteristics of diesel fuels assuming only gas phase reactions. Flame sheet approximation has been invoked in the formulation of the model.

Emissions of oxides of nitrogen (NOx) from combustion devices is a topic of tremendous current importance. The bulk of the review of NOx emissions has been in the field of turbulent jet flames. However laminar jet flames have provided much insight into the relative importance of NOx reaction pathways in non premixed combustion for various flame conditions. The existing models include detailed chemistry kinetics for various species involved in the flame. These detailed models involve very complex integration of hundreds of chemical reactions of various species and their intermediates. Hence such models are highly time consuming and also normally involve heavy computational costs. This work proposes a numerical model to compute the total production of NOx in a non-premixed isolated circular laminar jet flame. The jet consists of the fuel rich inner region and the O2 rich outer region. The model estimates both thermal NOx and prompt NOx assuming single step kinetics for NOx formation and a thin flame model. Further the amount of air entrainment by jet depends upon the Sc number of fuel. The higher the Sc number, the higher is the air entrained which lowers the flame temperature and hence NOx formation. With increasing Sc number, flame volume increases which leads to an increase in the NOx formation. The effect of the Sc number variation on the net production of NOx and flame structure is also investigated. The effect of equilibrium chemistry for CO2 <-> CO + 1/2 O2 and H2O <-> H2 +1/2 O2 on total NOx emission is studied. Also the effect of both CO2 and H2O equilibrium is considered simultaneously and the net x NO formation for propane is 45 ppm. The split between pre-flame and post-flame regions is also investigated. For Propane, 96% of NO emissions occur in the pre-flame region and about 4% in the post-flame region. The model predictions are compared with experimental values of NOx missions reported elsewhere.

O efeito Sunyaev-Zel\'dovich (ESZ) é uma das mais promissoras técnicas de investigação cosmológica envolvendo os aglomerados de galáxias e a radiação cósmica de fundo (RCF). Tal efeito é uma modificação no espectro planckiano da RCF devido à interação dos fótons com os elétrons energéticos que permeiam o meio intra-aglomerado. Nesta tese de doutorado, vinculamos alguns parâmetros cosmológicos e investigamos a estrutura dos aglomerados de galáxias. Para tal, consideramos amostras de aglomerados para os quais existem medidas conjuntas do ESZ e do brilho em Raios-X. Duas amostras são consideradas, a saber: os 25 dados compilados por de De Filippis et al. (2005), na qual os aglomerados são descritos por modelos isotérmicos (esférico e elíptico), e os 38 dados da amostra de Bonamente et al. (2006) que utilizam um modelo esférico, não isotérmico. Inicialmente, nós investigamos as implicações das diferentes descrições na obtenção do parâmetro de Hubble, $H_0$, no contexto do modelo $\\Lambda$CDM plano e em cosmologias mais gerais, como o $XCDM$ plano e $\\Lambda$CDM com curvatura. Os resultados dependem da amostra e das hipóteses subjacentes. Mostramos que a análise conjunta envolvendo o ESZ/Raios-X de aglomerados, as oscilações acústicas dos bárions e o parâmetro de desvio ({\\it shift parameter}) constituem uma técnica interessante para se determinar $H_0$ e que seu valor depende apenas fracamente da curvatura e do parâmetro da equação de estado da energia escura. Analisando as diversas amostras, nós obtemos também que a descrição elíptica de De Filippis et al. (2005) é a que melhor se ajusta com medidas independentes da física de aglomerados. Posteriormente, utilizando dados de aglomerados (ESZ/Raios-X) e adotando uma des\\-crição puramente cinemática do Universo, obtemos que a probabilidade do parâmetro de desaceleração ser negativo é de 92\\% para a amostra de Bonamente et al. (2006) e de 72\\% para o caso elíptico De Filippis et al. (2005). Ainda nesta linha, simulando os resultados dos vários mapeamentos de Sunyaev-Zeldovich que estão em andamento, discutimos a capacidade dessa técnica (em combinação com dados de Raios-X de aglomerados) para vincular parâmetros cosmológicos. Por outro lado, considerando que a obtenção das distâncias de diâmetro angular de aglomerados pela técnica do ESZ/raios-X depende da relação de dua\\-lidade, investigamos as conseqüências desta dependência de duas formas distintas: (i) testando a consistência entre a validade estrita da relação no modelo de concordância cósmica e as suposições utilizadas para descrever os aglomerados, e (ii) Considerando distâncias independentes (luminosidade e diâmetro angular) obtidas das supernovas Ia e dos aglomerados de galáxias, nós propomos um novo teste para a relação de dualidade que além de auto-consistente é independente de modelo cosmológico. Finalmente, para este teste, discutimos também influência dos diferentes tipos de ajuste das curvas de luz de supernovas. Nossos vínculos para $H_0$ e as conseqüências estatísticas baseadas na relação de dualidade, fornecem uma nova evidência de que a verdadeira geometria dos aglomerados tem uma forma elíptica. Tais resultados também reforçam o interesse pela pesquisa observacional de SZE e de raios-X de aglomerados em moderados e altos {\\it redshifts}. / The so-called Sunyaev-Zeldovich effect (SZE) is one of the most promising techniques for cosmological investigations involving galaxy clusters and the cosmic background radiation (CMB). Such an effect is a modification of the Planckian spectrum due to the interaction between the CMB photons and the hot electrons filling the intracluster medium. In this PhD thesis, we constrain some cosmological parameters and investigate the structure of galaxy clusters based on some samples for which the cluster are endowed with simultaneous measurements of SZE and X-ray surface brightness. Two different samples of galaxy clusters are considered, namely: the 25 data compiled by De Fillippis et al. (2005), and the 38 data sample of Bonamente et al. (2006), based on the non-isothermal spherically symmetric model. Initially, we constrain the value of the Hubble parameter, $ H_0 $, by taking into account the different assumptions underlying the galaxy cluster samples in the context of a flat $\\Lambda$CDM model, as well as, for more general cosmologies like the flat XCDM model and $\\Lambda $CDM with curvature. The results depend on the model assumptions and samples. It is also found that a joint analysis involving ESZ/Raios-X of clusters, the baryon acoustic oscillations (BAO) and shift parameter, constitutes an interesting technique for constraining the Hubble parameter and that its value is weekly dependent on the curvature, as well as on the equation of state parameter of the dark energy. By analysing the different samples, we conclude that the elliptical description of the De Filippis et al. (2005) provides the best quality description in comparison with measurements that are independent from galaxy clusters physics. Furthermore, by using galaxy cluster data (SZE/X-ray) and adopting a purely kinematical description for the universal expansion, we obtain that the decelerating parameter is negative with 92 \\% and 72 \\% of the probability by using the Bonamente et al. (2006) and De Filippis et al. (2005) samples, respectively. By simulating future data set, the ability of the ongoing SZE observations to obtain tighter constraints on the expansion history through SZE/X-ray technique is also discussed. On the other hand, since the SZE/X-ray technique for measuring angular diameter distance of clusters depends on the cosmic distance duality relation (DD relation) validity, we investigate the consequences of such a dependence in two distinct ways: (i) we test the consistence between the strict validity of DD relation in the framework of the $\\Lambda$CDM model (WMAP7) and the different assumptions underlying the galaxy cluster geometries, and (ii) we propose a self-consistent and model-independent test for the DD relation by using type Ia supernovae and galaxy clusters data. Finally, for such a test, we also analyse the influence of the different supernovae light curve fitter methods. Our constraints for $H_0$ and the statistical consequences of the distance duality relation provide a new evidence that the true geometry of galaxy clusters is provided by the elliptical form. Such results also reinforce the interest for the observational research involving the Sunyaev-Zeldovich and X-rays from galaxy clusters at moderate and high {\\it redshifts}.

O efeito Sunyaev-Zel\'dovich (ESZ) é uma das mais promissoras técnicas de investigação cosmológica envolvendo os aglomerados de galáxias e a radiação cósmica de fundo (RCF). Tal efeito é uma modificação no espectro planckiano da RCF devido à interação dos fótons com os elétrons energéticos que permeiam o meio intra-aglomerado. Nesta tese de doutorado, vinculamos alguns parâmetros cosmológicos e investigamos a estrutura dos aglomerados de galáxias. Para tal, consideramos amostras de aglomerados para os quais existem medidas conjuntas do ESZ e do brilho em Raios-X. Duas amostras são consideradas, a saber: os 25 dados compilados por de De Filippis et al. (2005), na qual os aglomerados são descritos por modelos isotérmicos (esférico e elíptico), e os 38 dados da amostra de Bonamente et al. (2006) que utilizam um modelo esférico, não isotérmico. Inicialmente, nós investigamos as implicações das diferentes descrições na obtenção do parâmetro de Hubble, $H_0$, no contexto do modelo $\\Lambda$CDM plano e em cosmologias mais gerais, como o $XCDM$ plano e $\\Lambda$CDM com curvatura. Os resultados dependem da amostra e das hipóteses subjacentes. Mostramos que a análise conjunta envolvendo o ESZ/Raios-X de aglomerados, as oscilações acústicas dos bárions e o parâmetro de desvio ({\\it shift parameter}) constituem uma técnica interessante para se determinar $H_0$ e que seu valor depende apenas fracamente da curvatura e do parâmetro da equação de estado da energia escura. Analisando as diversas amostras, nós obtemos também que a descrição elíptica de De Filippis et al. (2005) é a que melhor se ajusta com medidas independentes da física de aglomerados. Posteriormente, utilizando dados de aglomerados (ESZ/Raios-X) e adotando uma des\\-crição puramente cinemática do Universo, obtemos que a probabilidade do parâmetro de desaceleração ser negativo é de 92\\% para a amostra de Bonamente et al. (2006) e de 72\\% para o caso elíptico De Filippis et al. (2005). Ainda nesta linha, simulando os resultados dos vários mapeamentos de Sunyaev-Zeldovich que estão em andamento, discutimos a capacidade dessa técnica (em combinação com dados de Raios-X de aglomerados) para vincular parâmetros cosmológicos. Por outro lado, considerando que a obtenção das distâncias de diâmetro angular de aglomerados pela técnica do ESZ/raios-X depende da relação de dua\\-lidade, investigamos as conseqüências desta dependência de duas formas distintas: (i) testando a consistência entre a validade estrita da relação no modelo de concordância cósmica e as suposições utilizadas para descrever os aglomerados, e (ii) Considerando distâncias independentes (luminosidade e diâmetro angular) obtidas das supernovas Ia e dos aglomerados de galáxias, nós propomos um novo teste para a relação de dualidade que além de auto-consistente é independente de modelo cosmológico. Finalmente, para este teste, discutimos também influência dos diferentes tipos de ajuste das curvas de luz de supernovas. Nossos vínculos para $H_0$ e as conseqüências estatísticas baseadas na relação de dualidade, fornecem uma nova evidência de que a verdadeira geometria dos aglomerados tem uma forma elíptica. Tais resultados também reforçam o interesse pela pesquisa observacional de SZE e de raios-X de aglomerados em moderados e altos {\\it redshifts}. / The so-called Sunyaev-Zeldovich effect (SZE) is one of the most promising techniques for cosmological investigations involving galaxy clusters and the cosmic background radiation (CMB). Such an effect is a modification of the Planckian spectrum due to the interaction between the CMB photons and the hot electrons filling the intracluster medium. In this PhD thesis, we constrain some cosmological parameters and investigate the structure of galaxy clusters based on some samples for which the cluster are endowed with simultaneous measurements of SZE and X-ray surface brightness. Two different samples of galaxy clusters are considered, namely: the 25 data compiled by De Fillippis et al. (2005), and the 38 data sample of Bonamente et al. (2006), based on the non-isothermal spherically symmetric model. Initially, we constrain the value of the Hubble parameter, $ H_0 $, by taking into account the different assumptions underlying the galaxy cluster samples in the context of a flat $\\Lambda$CDM model, as well as, for more general cosmologies like the flat XCDM model and $\\Lambda $CDM with curvature. The results depend on the model assumptions and samples. It is also found that a joint analysis involving ESZ/Raios-X of clusters, the baryon acoustic oscillations (BAO) and shift parameter, constitutes an interesting technique for constraining the Hubble parameter and that its value is weekly dependent on the curvature, as well as on the equation of state parameter of the dark energy. By analysing the different samples, we conclude that the elliptical description of the De Filippis et al. (2005) provides the best quality description in comparison with measurements that are independent from galaxy clusters physics. Furthermore, by using galaxy cluster data (SZE/X-ray) and adopting a purely kinematical description for the universal expansion, we obtain that the decelerating parameter is negative with 92 \\% and 72 \\% of the probability by using the Bonamente et al. (2006) and De Filippis et al. (2005) samples, respectively. By simulating future data set, the ability of the ongoing SZE observations to obtain tighter constraints on the expansion history through SZE/X-ray technique is also discussed. On the other hand, since the SZE/X-ray technique for measuring angular diameter distance of clusters depends on the cosmic distance duality relation (DD relation) validity, we investigate the consequences of such a dependence in two distinct ways: (i) we test the consistence between the strict validity of DD relation in the framework of the $\\Lambda$CDM model (WMAP7) and the different assumptions underlying the galaxy cluster geometries, and (ii) we propose a self-consistent and model-independent test for the DD relation by using type Ia supernovae and galaxy clusters data. Finally, for such a test, we also analyse the influence of the different supernovae light curve fitter methods. Our constraints for $H_0$ and the statistical consequences of the distance duality relation provide a new evidence that the true geometry of galaxy clusters is provided by the elliptical form. Such results also reinforce the interest for the observational research involving the Sunyaev-Zeldovich and X-rays from galaxy clusters at moderate and high {\\it redshifts}.

[pt] O fenômeno de retorno de chama em tubos é conhecido e estudado há várias décadas. Sua análise clássica é baseada na determinação do gradiente de velocidade crítico, Gc, que o delimita como função das propriedades das misturas combustíveis. Entretanto, não é conhecido o efeito da diluição por CO2, importante para a previsão da segurança das instalações do pré-sal. Por isto, são aqui desenvolvidos estudos específicos do retorno de chamas pré-misturadas em escoamentos laminares. O objetivo geral deste trabalho é determinar experimentalmente a influência da diluição por CO2 sobre o retorno de chamas (flashback) em misturas de hidrocarbonetos (CH4 ou propano) e de ar. O levantamento do estado da arte permitiu especificar as características da instalação experimental para o estudo deste fenômeno e, também, identificar as principais questões a serem abordadas. Foi projetado e construído um aparato experimental para o estudo do flashback em escoamentos laminares. Os resultados originais obtidos mostram como a propensão ao retorno de chama é influenciada pela natureza do combustível, pela estequiometria da mistura e pela diluição. Misturas de propano possuem maior propensão ao flashback e maiores valores de Gc do que as de metano. Também foi mostrado que há uma redução da propensão ao flashback com o aumento da diluição. Esta propensão foi relacionada aos números adimensionais que caracterizam a combustão, isto é, os números de Lewis, Péclet, Karlovitz e Zel dovich. Para este último, uma proposta original visando sua determinação é apresentada, que envolve uma expressão da taxa de liberação de calor da reação química global controlada por uma variável de progresso. Esta formulação permite resolver o problema da singularidade na região da estequiometria. / [en] The flashback phenomenon in tubes has been known and studied for several decades. Its classical analysis is based on the determination of the critical velocity gradient, Gc, which delimits it as a function of the fuel mixture properties. However, the effect of the CO2 dilution is not known, which is important for predicting the safety of pre-salt facilities. For this reason, specific studies of premixed flame flashback in laminar flows are developed here. The general objective of this work is to experimentally determine the influence of CO2 dilution on flame flashback in mixtures of hydrocarbons (CH4 and propane) and air. The state of the art research made it possible to specify the characteristics of the experimental installation for this phenomenon study and, also, to identify the main issues to be addressed. An experimental apparatus was designed and built to study the flame flashback in laminar flows. The original results obtained show how the propensity of the flame flashback is influenced by the nature of the fuel, the stoichiometry of the mixture, and the dilution. Propane mixtures have a greater propensity for flashback and higher values of Gc than those of methane. It has also been shown that there is a reduction in the propensity of flashback with increasing dilution. This propensity was related to the dimensionless numbers that characterize combustion, that is, the Lewis, Péclet, Karlovitz, and Zel dovich numbers. For the latter, an original proposal aimed at its determination is presented, which involves an expression of the heat release rate from the global chemical reaction controlled by a progress variable.

Magister Scientiae - MSc / We investigate the modelling of radio galaxies within a semi-analytic framework in the Millennium Simulation of the Virgo Consortium. The aim is to assess the radio sources contamination of Sunyaev-Zeldovich (SZ) signatures of clusters of galaxies in Cosmic Microwave Background (CMB) experiments. The modelling is also relevant to the Karoo Array Telescope (MeerKAT) and the Square Kilometre Array (SKA) science. The semi-analytical model consists of N-body simulation, the Millennium Run to trace the merger history of dark matter haloes within the Λ Cold Dark Matter (ΛCDM) cosmology and a follow up of the black hole accretion history and Active Galactic Nuclei (AGN) evolution. We study the growth of the supermassive black hole (SMBH) in galaxy centres and determine the black hole mass accretion conversion into radiation. We identify a model which matches observed radio luminosity function. We describe a model of observed sample of radio surveys at a given frequency and a flux density limit to obtain a model of radio luminosity function (space density of radio sources as a function of redshift) that we compare with our simulated data. We determine the redshift distribution of radio galaxies (FRI), blazars and radio quasars (FRII) in the simulation. We focus the modelling on flat spectrum population of blazars since their jets are collimated towards us and thus constitute the most potential contaminants of the CMB. We determine the spatial and density distribution of radio sources in clusters with a virial mass Mvir 2 1014h−1M and then compute the temperature fluctuations and fluxes produced by these cluster radio sources. Our main results include: the model provides a reasonable match within uncertainties with the model obtained by Dunlop & Peacock (1990) [39] using their best fit of radio luminosity function at redshift z . 0:3. The model underestimates the number of radio sources at high redshift z & 1. Radio sources are concentrated around the centre of clusters with a maximum density at r . 0:1r200 where r200 is the radius within which the density is 200 times the critical density. Radio sources are more concentrated in low mass clusters. The model predicts a surface density profile of radio sources with luminosity P 1023 W.Hz−1 at 1.4 GHz (z . 0:06) in agreement with that of Lin & Mohr (2007) [58] at r . 0:1r200 but underestimates the density in the outskirts of the clusters. BL Lacs and FRI radio galaxies produce non negligible contamination at redshift z . 0:1. They produce a mean temperature fluctuation 4:5 K at redshift z 0:01 which can be at the same level as the kinetic SZE signal produced by the cluster. Blazars constitute potential contaminant of the thermal SZ effect at redshift z 1:0 and z 1:5 at 145 GHz where they produce a mean temperature 300 K - 350 K for an average mass of the cluster. / South Africa

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