The dissertation studies traffic dispersion modeling in four parts. In the first part, the dissertation focuses on the Robertson platoon dispersion model which is the most widely used platoon dispersion model. The dissertation demonstrates the importance of the Yu and Van Aerde calibration procedure for the commonly accepted Robertson platoon dispersion model, which is implemented in the TRANSYT software. It demonstrates that the formulation results in an estimated downstream cyclic profile with a margin of error that increases as the size of the time step increases. In an attempt to address this shortcoming, the thesis proposes the use of three enhanced geometric distribution formulations that explicitly account for the time-step size within the modeling process. The proposed models are validated against field and simulated data. The second part focuses on implementation of the Robertson model inside the popular TRANSYT software. The dissertation first shows the importance of calibrating the recurrence platoon dispersion model. It is then demonstrated that the value of the travel time factor β is critical in estimating appropriate signal-timing plans. Alternatively, the dissertation demonstrates that the value of the platoon dispersion factor α does not significantly affect the estimated downstream cyclic flow profile; therefore, a unique value of α provides the necessary precision. Unfortunately, the TRANSYT software only allows the user to calibrate the platoon dispersion factor but does not allow the user to calibrate the travel time factor. In an attempt to address this shortcoming, the document proposes a formulation using the basic properties of the recurrence relationship to enable the user to control the travel time factor indirectly by altering the link average travel time. In the third part of the dissertation, a more general study of platoon dispersion models is presented. The main objective of this part is to evaluate the effect of the underlying travel time distribution on the accuracy and efficiency of platoon dispersion models, through qualitative and quantitative analyses. Since the data used in this study are generated by the INTEGRATION microsimulator, the document first describes the ability of INTEGRATION in generating realistic traffic dispersion effects. The dissertation then uses the microsimulator generated data to evaluate the prediction precision and performance of seven different platoon dispersion models, as well as the effect of different traffic control characteristics on the important efficiency measures used in traffic engineering. The results demonstrate that in terms of prediction accuracy the resulting flow profiles from all the models are very close, and only the geometric distribution of travel times gives higher fit error than others. It also indicates that for all the models the prediction accuracy declines as the travel distance increases, with the flow profiles approaching normality. In terms of efficiency, the travel time distribution has minimum effect on the offset selection and resulting delay. The study also demonstrates that the efficiency is affected more by the distance of travel than the travel time distribution. Finally, in the fourth part of the dissertation, platoon dispersion is studied from a microscopic standpoint. From this perspective traffic dispersion is modeled as differences in desired speed selection, or speed variability. The dissertation first investigates the corresponding steady-state behavior of the car-following models used in popular commercially available traffic microsimulation software and classifies them based on their steady-state characteristics in the uncongested regime. It is illustrated that with one exception, INTEGRATION which uses the Van Aerde car-following model, all the software assume that the desired speed in the uncongested regime is insensitive to traffic conditions. The document then addresses the effect of speed variability on the steady-state characteristics of the car-following models. It is shown that speed variability has significant influence on the speed-at-capacity and alters the behavior of the model in the uncongested regime. A method is proposed to effectively consider the influence of speed variability in the calibration process in order to control the steady-state behavior of the model. Finally, the effectiveness and validity of the proposed method is demonstrated through an example application. / Ph. D.

Cette thèse porte sur l'analyse bayésienne de données fonctionnelles dans un contexte hydrologique. L'objectif principal est de modéliser des données d'écoulements d'eau d'une manière parcimonieuse tout en reproduisant adéquatement les caractéristiques statistiques de celles-ci. L'analyse de données fonctionnelles nous amène à considérer les séries chronologiques d'écoulements d'eau comme des fonctions à modéliser avec une méthode non paramétrique. Dans un premier temps, les fonctions sont rendues plus homogènes en les synchronisant. Ensuite, disposant d'un échantillon de courbes homogènes, nous procédons à la modélisation de leurs caractéristiques statistiques en faisant appel aux splines de régression bayésiennes dans un cadre probabiliste assez général. Plus spécifiquement, nous étudions une famille de distributions continues, qui inclut celles de la famille exponentielle, de laquelle les observations peuvent provenir. De plus, afin d'avoir un outil de modélisation non paramétrique flexible, nous traitons les noeuds intérieurs, qui définissent les éléments de la base des splines de régression, comme des quantités aléatoires. Nous utilisons alors le MCMC avec sauts réversibles afin d'explorer la distribution a posteriori des noeuds intérieurs. Afin de simplifier cette procédure dans notre contexte général de modélisation, nous considérons des approximations de la distribution marginale des observations, nommément une approximation basée sur le critère d'information de Schwarz et une autre qui fait appel à l'approximation de Laplace. En plus de modéliser la tendance centrale d'un échantillon de courbes, nous proposons aussi une méthodologie pour modéliser simultanément la tendance centrale et la dispersion de ces courbes, et ce dans notre cadre probabiliste général. Finalement, puisque nous étudions une diversité de distributions statistiques au niveau des observations, nous mettons de l'avant une approche afin de déterminer les distributions les plus adéquates pour un échantillon de courbes donné. / This thesis is about Bayesian functional data analysis in hydrology. The main objective is to model water flow data in a parsimonious fashion while still reproducing the statistical features of the data. Functional data analysis leads us to consider the water flow time series as functions to be modelled with a nonparametric method. First, the functions are registered in order to make them more homogeneous. With a more homogeneous sample of curves, we proceed to model their statistical features by relying on Bayesian regression splines in a fairly broad probabilistic framework. More specifically, we study a family of continuous distributions, which include those of the exponential family, from which the data might have arisen. Furthermore, to have a flexible nonparametric modeling tool, we treat the interior knots, which define the basis elements of the regression splines, as random quantities. We then use MCMC with reversible jumps in order to explore the posterior distribution of the interior knots. In order to simplify the procedure in our general modeling context, we consider some approximations for the marginal distribution of the observations, namely one based on the Schwarz information criterion and another which relies on Laplace's approximation. In addition to modeling the central tendency of a sample of curves, we also propose a methodology to simultaneously model the central tendency and the dispersion of the curves in our general probabilistic framework. Finally, since we study several statistical distributions for the observations, we put forward an approach to determine the most adequate distributions for a given sample of curves.

Novel integrated ozone contactor design and optimization tools which consist of an instrument that measures ozone decay kinetics, a program that performs predictive simulation, and an experimental method to examine mixing characteristics within the ozone contactor, were developed in this study. A multi-channel stopped-flow reactor (MC-SFR) is an instrument that performs automatic, real-time, and continuous analysis of ozone decay kinetics in natural waters. Ozone Contactor Model (OCM) is the software to simulate the performance of full-scale ozone bubble-diffuser contactors in support of current and future regulations regarding pathogen and bromate control in drinking water. The MC-SFR and OCM developed in this study were further applied to simulate Cryptosporidium parvum oocyst log inactivation and bromate formation in Linnwood Water Plant Ozone Facility (LWPOF) at Milwaukee Water Works, Milwaukee, WI and model predictions were verified with experimental results. Three dimensional laser induced fluorescence(3DLIF) allowed real time characterization of mixing conditions in a physical model ozone contactors by capturing fluorescence image emitted from a laser dye (i.e. Rhodamine 6G) using a high speed CCD camera. 3DLIF system was applied to analyze the hydrodynamics of two representative types of ozone contactor: direct discharge side-stream venturi injector (SVI) and multi-chambered fine bubble diffuser (FBD). Experimental results verified the presence of circulative swirling related for low dispersion for SVI reactor and the existence of non-ideal flow including short circuiting and internal recirculation in FBD reactor. Finally, integrated tools were applied to the design of a new ozone contactor under planning stage to assess current design and to recommend the improvement.

One of the ocean’s greatest resources is the coral reefs, providing unique habitats for alarge variety of organisms. During drilling operations offshore many activities maypotentially harm these sensitive habitats. Det Norske Veritas (DNV) has developed arisk-based approach for planning of drilling operations called Coral Risk Assessment (CRA) to reduce the risk of negative effects upon cold water corals (Lophelia pertusa) on the Norwegian Continental Shelf (NCS). In order to get a good risk assessment amodelled dispersion plume of the drilling discharges is recommended. This study concerned a drilling case at the Pumbaa field (NOCS 6407/12-2) on the NCS, and used two different dispersion models, the DREAM model and the MUDFATE model in order to investigate how to perform good risk assessments. In the drill planning process a decision to move the discharge location 300 m north-west from the actual drilling location and reducing the amount of drilling discharges, was made inorder to reduce the risk for the coral targets in the area. The CRA analysis indicated that these decisions minimised the risk for the corals, and showed that the environmentalactions in the drill planning processes are necessary in order to reduce the risk for the coral targets and that the analysis method is a preferable tool to use. The amount of discharges, the ocean current data, the discharge location and the condition of the coral targets are the factors having the most important impact on the CRA results. From monitoring analysis from the case of study, it can be seen that a pile builds up around the discharge location. The dispersion models do not seem to take into account this build-up of a pile and thereby overestimate the dispersion of drilling discharges. This observation was done when modelled barite deposit was compared with barium concentrations measured in the sediment after the drilling operation. The overestimationis the case for the DREAM model, but has not been seen in the simulations with the MUDFATE model. Results from the modelling also indicated a higher overestimation for the DREAM model when using a cutting transport system (CTS) to release thedrilling discharges compared to release the discharges without using the CTS. / Korallrev består av ett skelett av kalciumkarbonat som bygger upp unika habitat på havsbotten. Dessa utnyttjas av flera olika organismer och är en av havets största och viktigaste resurser. Under prospekteringsborrningar till havs sker stora mängder utsläpp som kan påverka de känsliga miljöerna negativt. Det Norske Veritas (DNV) har utvecklat en riskbaserad strategi för planering av prospekteringsborrning i områden med koraller kallad Coral Risk Assessment (CRA). I CRA-analysen utvärderas risken för korallstrukturer (Lophelia pertusa) att påverkas av olika borrningsaktiviteter. Spridningsmodellering av det förväntade utsläppet från borrningsoperationen är ett viktigt hjälpmedel för att kunna utföra riskanalysen på ett tillfredsställande sätt. Studien har studerat en tidigare utförd prospekteringsborrning på Pumbaa-fältet (NOCS 6407/12-2) på den norska kontinentalsockeln och två olika spridningsmodeller DREAM och MUDFATE har jämförts i studien med syfte att förbättre riskbedömningen. I planeringsstadiet av prospekteringsborrningen togs ett beslut att flytta utsläppspunkten för det producerade borrslammet 300 m nordväst från brunnen samt att mängden borrslam skulle reduceras för att minska risken för påverkan på korallstrukturerna i området. CRA-analysen som utfördes i denna studie visade att dessa beslut minskat risken för korallstrukturerna att bli påverkade. Detta indikerar således att analysmetoden är ett viktigt verktyg att använda vid miljöundersökningar i planeringsstadiet för att minska risken för oönskad påverkan från aktiviteter i samband med prospekteringsborrning. De faktorer som har störst påverkan på CRA-analysen är mängden borrslam, strömdata, utsläppspunkt och tillståndet på korallstrukturerna. Under miljöövervakningen i samband med borrningsprocessen påvisades det att vallar av borrslam byggdes upp nära utsläppspunkten, vilket skedde relativt snabbt efter det att utsläppet startat. Spridningsmodellerna verkar inte ta hänsyn till denna uppbyggnad utan överestimerar spridningen och depositionen av borrslam. Detta har påvisats vid jämförelser av modellerade och uppmätta värden av bariumkoncentrationer i sedimentet. Överestimeringen är påvisad för DREAM, men slutsatsen är mer osäker för MUDFATE. Spridningsmodelleringen med DREAM indikerar även en större överestimering av resultaten om utsläppen sker med en så kallad CTS (Cutting Transport System).

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior / A parameterization for the transport processes in a shear driven planetary boundary layer (PBL) has been established, employing turbulent statistical quantities measured during the north wind phenomenon in southern Brazil. Therefore, observed one-dimensional turbulent energy spectra are compared with a spectral model based on the Kolmogorov arguments. The good agreement obtained from this comparison leads to well defined formulations for the turbulent velocity variances, local decorrelation time scale and eddy diffusivities. Furthermore, for vertical regions in which the wind shear forcing is relevant, the eddy diffusivity derived from the north wind data presents a similar profile as those obtained from the non-extensive statistical mechanics theory. Finally, a validation for the present parameterization has been accomplished, using a Lagrangian stochastic dispersion model. Twind speed, is simulated. The analysis developed in this study shows that the turbulence parameterization constructed from wind data for north wind flow cases is able to describe the diffusion in a high wind speed, shear-dominated PBL.he Prairie Grass data set, which presents high mean / Foi realizada uma parametrização para os processos de transporte em uma camada limite planetária (CLP) dominada pela turbulência mecânica, empregando quantidades estatísticas turbulentas medidas durante eventos do Vento Norte no Sul do Brasil. Assim, espectros observados de energia turbulenta unidimensionais são comparados com um modelo espectral baseado na hipótese de Kolmogorov válida para uma turbulência desenvolvida. A boa concordância obtida a partir desta comparação permite derivar formulações para as variâncias de velocidade turbulenta, escala de tempo de decorrelação local e para os coeficientes de difusão. Além disso, o coeficiente de difusão vertical derivado a parir dos dados de vento norte apresenta um perfil semelhante àquele obtido dos conceitos da mecânica estatística não-extensiva. Finalmente, a validação da presente parametrização foi realizada utilizando-se um modelo de dispersão estocástico Lagrangeano. São simuladas as concentrações medidas ao nível do solo no experimento clássico de Prairie-Grass sob condições de vento forte. A análise desenvolvida no presente estudo mostra que a parametrização da turbulência, construída a partir de dados de casos de Vento Norte, é capaz de descrever a difusão em condições de vento forte, em uma CLP gerada pela turbulência mecânica.

Made available in DSpace on 2014-08-20T14:25:46Z (GMT). No. of bitstreams: 1 dissertacao_marieli_sallet.pdf: 231023 bytes, checksum: f445526b62fbfcde40fb1bc5ca90923a (MD5) Previous issue date: 2007-02-23 / Currently, the search for analytical solutions for the dispersion problems is one of the main research subjects in the pollutant dispersion modeling. These solutions become important due to the intention to obtain dispersion models that generate reliable results in a small computational time, which are of great interest for regulatory air quality applications. Lagrangian particle models are an important and effective tool to simulate the atmospheric dispersion of airborne pollutants. These models are based on the Langevin equation, which is derived from the hypothesis that the velocity is given by the combination between a deterministic term and a stochastic term. In this work is presented a new Lagrangian particle model to simulate the pollutant dispersion in low wind speed conditions. During low wind speed, the diffusion of a pollutant in the planetary boundary layer (PBL) is indefinite and it has been observed that the plume is subject to a great deal of horizontal undulations, which are called plume meandering. The method proposed leads to a stochastic integral equation whose solution has been obtained through the Method of Successive Approximations or Picard s Iteration Method. The integral equation is written in terms of the real and imaginary parts of the complex function before performing the multiplication of the integrating factor, expressed by the Euler formula, inside and outside of the integral solution. To take account the meandering effect, the Frenkiel s Eulerian autocorrelation functions for low wind conditions is included naturally in the model. The new approach has been evaluated through the comparison with experimental data and other different dispersion models. Particularly, the results obtained by the model agree very well with the experimental data, indicating the model represents the dispersion process correctly in low wind speed conditions. It is also possible to verify that the new model results are better than ones obtained by the other models. The analytical feature of the technique and the natural inclusion of the Frenkiel s Eulerian autocorrelation function become the model more accurate than other models. / Atualmente, a busca por soluções analíticas para os problemas de dispersão é um dos principais assuntos de pesquisa na modelagem da dispersão de poluentes. Estas soluções tornam-se importantes devido à intenção de obter modelos de dispersão que geram resultados confiáveis em um tempo computacional pequeno, que são de grande interesse para aplicações no controle da qualidade do ar. Modelos de partícula Lagrangeano são uma ferramenta importante e eficaz para simular a dispersão atmosférica de poluentes do ar. Esses modelos são baseados na equação de Langevin, que é derivada da hipótese que a velocidade é dada por uma combinação entre um termo determinístico e um termo estocástico. Neste trabalho é apresentado um novo modelo de partícula Lagrangeano para simular a dispersão de poluentes em condições de velocidade de vento fraco. Durante a velocidade de vento fraco, a difusão de um poluente na Camada Limite Planetária (CLP) é indefinida e tem sido observado que a pluma está sujeita a grandes ondulações horizontais, que são chamadas meandro do vento. O método proposto leva a uma equação integral estocástica cuja solução é obtida através do Método das Aproximações Sucessivas ou Método Iterativo de Picard. A equação integral é escrita em termos das partes real e imaginária da função complexa antes de realizar a multiplicação do fator integrante, expresso pela fórmula de Euler, dentro e fora da solução integral. Para considerar o efeito do meandro, as funções de autocorrelação Euleriana de Frenkiel para condições de vento fraco são incluídas naturalmente no modelo. A nova aproximação foi avaliada através da comparação com dados experimentais e outros diferentes modelos de dispersão. Particularmente, os resultados obtidos pelo modelo concordam muito bem com os dados experimentais, indicando que o modelo representa o processo de dispersão corretamente em condições de velocidade de vento fraco. Também é possível verificar que os resultados do novo modelo são melhores do que os obtidos pelos outros modelos. A característica analítica da técnica e a inclusão natural da função de autocorrelação Euleriana de Frenkiel tornam o modelo mais exato que os outros modelos.

Presented diploma thesis deals with the application of dispersion modelling of emissions from stationary sources of pollution as a potential tool which can be used for data preparation in reverse logistic models. In this case, the stationary source is represented by a waste-to-energy plant. The thesis consists of two main parts -- theoretical and computational. Firstly, emission sources and pollutants originating in thermal waste treatment are discussed. In the second chapter, legislation linked to the problem of air pollution is listed and the topics of current air quality in the Czech Republic and dispersion studies are outlined. Closing section of the theoretical part provides information about the principals of dispersion calculations and classification of dispersion models is given. In the computational part, the used dispersion software SYMOS'97 is introduced and the series of conducted calculations is presented. The calculations investigated the influence of plant capacity, dispersion conditions and terrain on the results. The input data of plant capacity and wind rose were indicated as key parameters in the calculation. The final evaluation revealed a good potential of the used dispersion model as a support tool in reverse logistic models.

Population exposure to traffic pollution is a rapidly developing, multi-disciplinary scientific field. While the link between long-term exposure and respiratory issues is well-established, there are probable links to a number of more serious health effects, which are still not fully understood. In the interests of protecting human health, it is prudent that we take a cautionary approach and actively seek to reduce exposure levels, especially in the home environment where people spend a significant portion of their time. In many large cities, a substantial number of homes are situated on land immediately adjacent to busy freeways and other heavily-trafficked roads. Characterising exposures of local residents is incredibly challenging but necessary for advancing epidemiological understandings. While existing studies are plentiful, the results are mixed and generally not transferable to other urban areas due to the localised nature of the built environment and meteorological influences. This thesis aimed to employ a variety of methods to develop a holistic understanding of the influence of traffic emissions on near-highway residents' exposure in two communities of South Auckland, New Zealand, where Annual Average Daily Traffic (AADT) is as high as 122,000 vehicles. First, ultrafine particles (UFPs), nitrogen oxides (NOx), carbon monoxide (CO) and particulate matter ≤ 10 μm (PM₁₀) were continuously monitored using a series of fixed stations at different distances from the highways, over several months during the winters of 2010 and 2011. Emissions modelling output (based on traffic composition), was used within a dispersion model to compare modelled concentrations with monitored levels. In addition, community census meshblock units were mapped by level of social deprivation in order to assess potential inequities in highway emissions exposure. The second layer of local air quality investigation involved using a bicycle platform to systematically measure concentrations of UFPs, CO and PM₁₀ using the entire street-grid network throughout each community. This was done forty times - five times at four times of day (07:00, 12:00, 17:00 and 22:00), for each study area, with the aim of mapping the diurnal fluctuation of microspatial variation in concentrations. Using global positioning system (GPS) data and geographical information system (GIS) software, spatially-resolved pollutant levels were pooled by time of day and the median values mapped, providing a visualisation of the spatial extent of the influence of emissions from the highways compared to minor roads. The third layer involved using data from multiple ambient monitors, both within the local areas and around the city, to simulate fifty-four residents' personal exposure for the month of June, 2010. This required collecting timeactivity information which was carried out by door-to-door surveying. The time-activity data were transformed into microenvironment and activity codes reflecting residents movements across a typical week, which were then run through the US-EPA's Air Pollution Exposure Model (APEX). APEX is a probabilistic population exposure model for which the user sets numerous microenvironmental parameters such as Air Exchange Rates (AERs) and infiltration factors, which are used in combination with air pollutant concentrations, meteorological, and geospatial data, to calculate individuals' exposures. Simulated exposure outputs were grouped by residents' occupations and their home addresses were artificially placed at varying distances from the highways. The effects of residential proximity to the highway, occupation, work destination and commute distance were explored using a Generalised Linear Model (GLM). Surveyed residents were also asked a series of Likert-type, ordered response questions relating to their perceptions and understandings of the potential impacts of living near a significant emissions source. Their response scores were explored as a function of proximity to the highway using multivariate linear regression. This formed the final layer of this investigation into air quality throughout these South Auckland communities of Otahuhu and Mangere Bridge. Results show that concentrations of primary traffic pollutants (UFPs, NOx, CO) are elevated by 41 - 64% within the roadside corridor compared to setback distances approximately 150 m away and that the spatial extent of UFPs can reach up to 650 m downwind early in the morning and late in the evening. Further, social deprivation mapping revealed that 100% of all census meshblocks within 150 m either side of both highways are at the extreme end of the deprivation index (NZDep levels 8 - 10). Simulations for residents dispersed across the community of Otahuhu estimated daily NOx and CO exposure would increase by 32 and 37% (p<0.001) if they lived immediately downwind of the highway. If they were to shift 100 m further downwind, daily exposure would decline by 56 - 70% (p<0.001). The difference in individuals' exposure levels by occupation varied across the same distance by a factor of eight (p<0.05), with unemployed or retired persons the most exposed due to having more free time to spend outdoors at home (recreation, gardening, etc.). Those working in ventilated offices were the least exposed, even though ambient concentrations - likely due to a strong urban street canyon effect - were higher than the nearest highway monitor (5 m downwind) by 25 - 30% for NOx and CO, respectively. Inverse linear relationships were identified for distance from highway and measures of concern for health impacts, as well as for noise (p<0.05). Positive linear relationships were identified for distance from highway and ratings of both outdoor and indoor air quality (p<0.05). Measures of level of income had no conclusive statistically significant effect on perceptions (p>0.05). The main findings within this thesis demonstrate that those living within the highway corridor are disproportionately exposed to elevated long-term average concentrations of toxic air pollutants which may impact on physical health. While the socioeconomic characteristics could also heighten susceptibility to potential health impacts in these areas, certain activity patterns can help mitigate exposure. This thesis has also shown that there may be quantifiable psychological benefits of a separation buffer of at least 100 m alongside major highways. These results enhance a very limited knowledge base on the impacts of near-roadway pollution in New Zealand. Furthermore, the results lend additional support to the international literature which is working to reduce residential exposures and population exposure disparities through better policies and improved environmental planning. Where possible, the placement of sensitive population groups within highway corridors, e.g. retirement homes, social housing complexes, schools and childcare centres, should be avoided.

NOWADAYS, a number of studies keep on demonstrating the existence of a strong relation between high concentrations of particulate matter (PM) and the prevalence of human morbidity and mortality. Large particles can be filtered in the nose or in the throat, while fine particles (about10 micrometer) can settle in the bronchi and lungs, leading to more serious consequences. According to Karagulian et al. the major sources of urban air pollution are traffic (25%), combustion and agriculture (22%), domestic fuel burning (20%), natural dust (18%) and industrial activities (15%).As a consequence, the detailed study of dispersion phenomena within the urban canopy becomes a target of great interest. To this end, Computational Fluid Dynamics (CFD) can be successfully employed to predict turbulence and dispersion patterns, accounting for a detailed characterization of the pollutant sources, complex obstacles and atmospheric stability classes.Despite being intrinsically different phenomena, turbulence and dispersion are closely related. It is universally accepted that, to reach accurate prediction of the concentration field, it is necessary to properly reproduce the turbulence one. For this reason, the present PhD thesis is split into two main Sections: one focused on turbulence modelling and the subsequent, centered on the dispersion modelling.Thanks to its good compromise between accuracy of results and calculation time, Reynolds-averaged Navier-Stokes (RANS) still represents a valid alternative to more resource-demanding methods. However, focusing on the models’ performance in urban studies, Large Eddy Simulation (LES) generally outperforms RANS results, even if the former is at least one order of magnitude more expensive. Stemming from this consideration, the aim of this work is to propose a variety of approaches meant to solve some of the major limitations linked to standard RANS simulation and to further improve its accuracy in disturbed flow fields, without renouncing to its intrinsic feasibility. The proposed models are suitable for the urban context, being capable of automatically switching from a formulation proper for undisturbed flow fields to one suitable for disturbed areas. For neutral homogeneous atmospheric boundary layer (ABL), a comprehensive approach is adopted, solving the issue of the erroneous stream-wise gradients affecting the turbulent profiles and able to correctly represent the various roughness elements. Around obstacles, more performing closures are employed. The transition between the two treatments is achieved through the definition of a Building Influence Area (BIA). The finalgoal is to offer more affordable alternatives to LES simulations without sacrificing a good grade of accuracy.Focusing on the dispersion modelling framework, there exists a number of parameters which have to be properly specified. In particular, the definition of the turbulent Schmidt number Sct, expressing the ratio of turbulent viscosity to turbulent mass diffusivity, is imperative. Despite its relevance, the literature does not report a clear guideline on the definition of this quantity. Nevertheless, the importance of Sct with respect to dispersion is undoubted and further demonstrated in the works of different authors. For atmospheric boundary layer flows, typical constant values range between 0.2 and 1.3. As a matter of fact, the local variability of Sct is supported by experimental evidence and by direct numerical simulations (DNS). These observations further suggest that the turbulent Schmidt number should be prescribed as a dynamic variable. Following these observations a variable turbulent Schmidt number formulation is proposed in this work. The latter stems from the same hypothesis of the variable formulation developed by Gorlé et al. Moreover, the relevant uncertain model parameters are optimized through uncertainty quantification (UQ). This formulation further increased the accuracy of the predictions, and was successfully verified by Di Bernardino et al. However, the turbulent Schmidt number resulting from this formulation is still intrinsically linked to the turbulence model employed, i.e. to the Cμ coefficient. To overcome this constraint, the nature and the dependencies of Sct were further analyzed through correlation studies and employing principal component analysis (PCA) on data obtained through the proposed ABL RANS model. Subsequently, the same data-driven technique was employed based on the high-fidelity outcomes of a delayed Detached Eddy Simulation (dDES) to derive a generalized turbulentSchmidt number formulation. The latter can be employed within a wide range of turbulence models, without limiting its variability. / Doctorat en Sciences de l'ingénieur et technologie / info:eu-repo/semantics/nonPublished