Rozprawy doktorskie na temat „E-flow Assessment”

O principal objetivo da presente dissertação foi estudar o flow. Para isso, dois estudos foram realizados. O primeiro estudo teve como objetivo adaptar a LONG Dispositional Flow Scale DFS-2 - General para o Português Brasileiro e investigar algumas evidências de validade do instrumento nesta população. Esse primeiro estudo foi dividido em duas etapas. A primeira foi o processo de tradução e adaptação da escala. A segunda etapa foi a realização de um estudo empírico. Os participantes foram uma amostra nacional de 310 adultos (77,4% mulheres), com idade entre 18 e 63 anos (M = 31, DP = 9,1). Parâmetros de análise fatorial confirmatória do modelo de Jackson (2010) com nove fatores de primeira ordem e com um fator de segunda ordem (flow) com os mesmos nove fatores de primeira ordem foram apresentados. Também foi apresentado um novo modelo proposto com seis fatores, e também um fator de segunda ordem dos mesmos. A DFS-2 geral apresentou propriedades psicométricas adequadas, sugerindo sua utilidade na avaliação do flow no contexto brasileiro. Os resultados também mostram correlações entre flow e outras variáveis (satisfação com a vida, afetos e estresse). O segundo estudo foi uma revisão sistemática que objetivou apresentar um panorama das publicações científicas sobre instrumentos psicológicos utilizados na Avaliação Psicológica do Estresse entre 2008 e 2015. Os resultados mostram as bases de dados, número de resumos e artigos incluídos e os instrumentos mais utilizados para mensurar o estresse. As conclusões da presente dissertação mostram a importância da freqüência de flow na promoção da satisfação com a vida e afetos positivos e na prevenção ou redução do estresse na vida diária.
The main purpose of the present dissertation was studying flow. In order to do so, two studies were conducted. The first study aimed to adapt the LONG Dispositional Flow Scale DFS-2 – General to Brazilian Portuguese and to investigate some validity evidences of the instrument in this population. This study was divided into two steps. The first one was the process of translation and adaptation. The second stage was the conduction of an empirical study. Participants were a nationwide sample of 310 adults (77.4% female), aged 18 to 63 years old (M= 31, SD= 9.1). Confirmatory factor analysis parameters of the Jackson (2010) model with nine first order factor and with a second order Flow factor with the same nine first order factors were presented. Also a new proposed model with six factor, with also a second order Flow factor are reported. General DFS-2 presented adequate psychometric properties, suggesting its usefulness in evaluating flow in the Brazilian context. The results also show correlations between flow and other variables (satisfaction with life, affects and stress. The second study was a sistematic review that aimed to present an overview of the scientific publications about psychological instruments used at Psychological Assessment of Stress between 2008 and 2015. Results show the ued databases, number of abstractas and papers included and the most used instruments to measure stress. The conclusions of this dissertation show the importance of flow frequency on the promotion of satisfaction with life and positive affects and on the prevention or reduction of stress in daily life.

Studies on water resources are rarely developed in basins where anthropic impact is negligible; therefore, the flow values are seldom ''natural'' and are often significantly affected by the interference of human works. These alterations of the natural discharges can be due to the presence, along the river network, of interfering hydraulic structures. Interactions between these infrastructures and the natural streamflow are certainly in need of further attention. Two main issues have been studied here in detail: i) the impact on water availability and the variability caused by water abstractions and ii) the flood attenuation effect induced by existing reservoirs, that produces flood hazard mitigation downstream. When working in a regional analysis framework, input data and results should represent the natural conditions. Hence, the alterations due to hydraulics structures embedded into the river network should be removed or introduced carefully. For instance, regional estimates of flood peak discharges do not consider the flood attenuation operated by the existing reservoirs. Nevertheless dams have a significant impact, especially in the nearest areas downstream, that should be accounted for. For the Piemonte and Valle d'Aosta Regions, this flood peak attenuation effect has been studied in detail to provide a correct starting point for further flood hazard studies. On the other hand, to assess the impact of water abstractions on daily discharge data, basic indices of alterations have been defined and an innovative correction model to reconstruct the natural streamflow statistics has been proposed. Non-impacted discharge characteristics are needed to provide a correct regional estimate of water resources availability and, consequently, of the gross hydropower potential. For water use planning purposes or to define the residual hydropower potential, the correction model proposed can also be used backward, adding anthropic effects to non-impacted values of discharge. The relevance of the proposed approach and methods in regional analysis of extreme and average flows is something that can be better recognized only with the effort of systematically characterizing the infrastructures that interfere with the natural hydrology along the river network. The applications made in this work were made possible by a cooperative effort addressed to the realization of a comprehensive Hydrological and Infrastructures Information System for the Regione Piemonte, that constitutes an important laboratory for hydrological simulations in a real world of heavily altered natural processes.

One of the most promising technologies for plastic waste valorization in the frame of a circular economy is gasification. Gasification of plastic waste allows to produce a syngas which can be further processed to produce chemicals. In this thesis, a plastic waste-to-methanol route is investigated. After evaluating the plastic waste mass potential available in the Netherlands for gasification through Material Flow Analysis, a waste-to-methanol process is modeled based on literature review and Aspen Plus simulations. Finally, a Life Cycle Assessment (LCA) is performed with the aid of the software SimaPro and specifically focusing on global warming potential (GWP) and cumulative fossil energy demand (CFED). The obtained results are compared with the environmental performance of a traditional natural gas-to-methanol route. This case study shows that 270 kt of plastic waste would be available for gasification in the Netherlands in an optimistic scenario. The modeling of the plastic waste-to-methanol process proves the feasibility of synthesizing pure methanol from a waste-sourced syngas. The results from the LCA indicate that the plastic waste-to-methanol process is associated to a global warming potential equal to almost 3.75 tonnes of CO2 equivalent and responsible for the consumption of about 37.41 GJ of primary energy derived from fossil resources. The waste-to-methanol process is responsible for six times greater GHG emissions than methanol produced from steam reforming of natural gas, and it consumes an additional 11.0% of primary fossil energy. Different sensitivity analyses were carried out to test the robustness of the results. All scenarios confirmed a higher GWP associated to the waste-to-methanol process, which therefore has, for the foreseeable future, rather limited practical relevance since there is no environmental convenience relative to a standard fossil-based methanol production.

In some Mediterranean karst areas, groundwater is often the only available supply for freshwater. Besides the contamination induced by human activities, coastal aquifers often suffer from the saltwater intrusion phenomenon, which can be enhanced by both extensive withdrawals and climatic changes. Establishing an effective set of regulatory and management measures to ensure the sustainability of coastal aquifers requires a deep knowledge about natural and anthropic stresses involved in groundwater dynamics. In this regard, a prior conceptualization of aquifer systems and a deeper characterization of balance terms through mathematical modelling are of paramount importance. In the gulf of Taranto (southern Italy), these issues are particularly pressing, as the multi-layered, carbonatic aquifer is the only available resource of freshwater and satisfies most of the human water-related activities. Especially during the last decades, proper management plans and decisions seem to be compelling, as the national government included Taranto in the list of the contaminated sites of national importance, due to the presence of highly-polluting activities nearby the Mar Grande and Mar Piccolo seawater bodies, whose relationship with the underground resources is matter of concern, as they host important freshwater springs. Furthermore, the Taranto area is particularly sensitive to the phenomenon of seawater intrusion, both for the specific hydrostratigraphic configuration and for the presence of highly water-demanding industrial activities. These problems, strictly related to the protection and preservation of groundwater quality and quantity, have triggered several actions. Among them, the Flagship Project RITMARE (la Ricerca Italiana per il Mare - the Italian Research for the Sea) took into account criticalities involving several environmental components within the Mar Piccolo ecosystem, including groundwater. In this thesis, a full charactrization of the multi-layered aquifer system of the whole Province of Taranto is presented, with the purpose of supporting monitoring activities, land-use plans and management decisions. The preliminary outcomes refer to the identification of the conceptual model, namely the reconstruction of the hydrostratigraphic structure of the underground and the qualitative assessment of the groundwater dynamics. The successive development of a numerical model permits to produce a tool for quantifying the hydrogeological balance and simulating the system response to climate or man-induced changes. Generally speaking, thorough evaluation of model adequacy and/or accuracy is an important step in the study of environmental systems, due to the uncertainties on hydrodynamic properties and boundary conditions and to the scarcity of good-quality field data. This commonly results in groundwater models being calibrated and often leads to the development of many candidate models that can differ in the analysed processes, representation of boundary conditions, distribution of system characteristics, and parameter values. In this framework, calibration of alternative models allowed to identify the main challenges which limit the reliability of model outcomes and test model adequacy while proposing a new calibration methodology, which represents tha major scientific contribution of this thesis.

Il settore di produzione di beni e servizi è sempre alla continua ricerca di sistemi che possano ottimizzare i loro processi di produzione, con l obiettivo primario di ridurre i costi sostenuti. La crisi economica, che negli ultimi anni ha colpito l Europa in molti settori economico-produttivi, ha accentuato ulteriormente l esigenza di ricercare tutte quelle procedure e/o metodologie che possano permettere un abbattimento delle spese, mantenendo gli stessi standard qualitativi e quantitativi. Tra i settori maggiormente in crisi, soprattutto nelle regioni meridionali d Italia, c è quello della gestione integrata dei rifiuti solidi urbani. I problemi tipici che si riscontrano in questo campo possono essere inglobati in due macro-categorie: -la raccolta dei rifiuti su scala territoriale locale, che ha come obiettivo principale quello di ottimizzare il servizio al fine di minimizzare i costi di trasporto all interno dei centri urbani; - il trasporto dei rifiuti su scala territoriale regionale, dai centri di produzione locali agli impianti di trattamento/recupero/smaltimento quello su scala regionale, che, oltre ad avere come obiettivo quello di minimizzare i costi di trasporto, ha lo scopo di localizzare ed individuare i siti ottimali per la realizzazione di nuovi impianti di trattamento e smaltimento dei rifiuti. Il problema del trasporto dei rifiuti solidi urbani dai luoghi di produzione (città) ai luoghi di smaltimento (impianti di trattamento) è una fase del sistema di gestione solitamente trascurata. Questo perché, a torto, considerata poco impattante rispetto alle altre fasi di trattamento. Il presente lavoro, invece, ritenuta l importanza del problema, si propone di determinare i flussi e i costi del trasporto di rifiuti all interno di un territorio ed in più di dimostrare come una corretta gestione del conferimento del rifiuto nei vari impianti di trattamento/recupero/smaltimento, possa contribuire in modo significativo al miglioramento del processo di gestione dei rifiuti e ad un concreto risparmio di risorse economiche ed ambientali. Un notevole contributo in tal senso è dato dai cosiddetti Sistemi di Trasporto Intelligenti (Intelligent Transportation System, ITS), che grazie a tecnologie telematiche innovative (Information and Communication Technologies, ICT) permette di offrire un servizio flessibile ad una domanda anch essa flessibile a causa della variabilità giornaliera della produzione di rifiuti solidi urbani, nonché a tutta una serie di problematiche e criticità dovute a fattori non prevedibili. Alla luce dei risultati emersi dallo studio, sia su scala territoriale urbana che su scala territoriale regionale, si può concludere che una corretta pianificazione dei sistemi di gestione dei rifiuti dovrebbe prevedere un analisi dettagliata della fase di raccolta e trasporto dei rifiuti e prevedere la valutazione di possibili alternative per la diminuzione delle emissioni totali attraverso l ottimizzazione dei trasporti. A tale scopo l integrazione di tecnologie telematiche innovative e l utilizzo di modelli di ottimizzazione dei percorsi di raccolta nonché dei flussi dei rifiuti dai centri di produzione agli impianti di smaltimento, può essere determinante per il raggiungimento di un efficiente gestione integrata dei rifiuti solidi urbani.

Water is one of the most basic human needs for survival, though, there is a shortage in the amount of drinking water around the globe. Thus, preserving the quality of available water should be of high importance for us. For this purpose, we must treat water, used in every aspect of human activity, before releasing it back to the water bodies. With an increased inclination towards sustainability and green technologies, Constructed Wetlands (CW) are getting more attention as a more eco-friendly treatment for wastewater rather than conventional treatment plants. There are different types of CW operating around the world with a different typology of plants vegetated in them. The aim of this Thesis is to compare these differences to find the best combination for improving CW performance for wastewater treatment. Different case studies throughout Italy have been examined for this matter. Many of these cases, used Hybrid CW rather than a single stage of either Vertical Subsurface Flow CW (VSSF) or Horizontal Subsurface Flow CW (HSSF), and usually, there is a Floating Treatment Wetland (FTW) as a tertiary step for further refining water quality before releasing it. This kind of Treatment setup for CWs shows an increased abatement efficiency for wastewater. Lastly, vegetations in CW usually improve the efficiency of wetland performance. The important parameters in selecting macrophytes are their survivability and adaptability in wetland conditions. Among the macrophytes encountered Phragmites Australis and Iris Pseudacorus generally showed a higher growth performance and more adaptability in CW conditions.

The turbulent properties of flow in rivers are of fundamental importance to aquatic organisms yet are rarely quantified during routine river habitat assessment surveys or the design of restoration schemes due to their complex nature. This thesis uses a detailed review of the literature to highlight the various ways in which plants and animals modify the flow field, how this can deliver beneficial effects; and how turbulence can also generate threats to growth and survival. The thesis then presents the results from detailed field assessments of turbulence properties undertaken on low, intermediate and high gradient rivers to advance scientific understanding of the hydrodynamics of rivers and inform effective habitat assessment and restoration. A reach-scale comparison across sites reveals spatial variations in the relationships between turbulent parameters, emphasising the need for direct measurement of turbulence properties, while a geomorphic unit scale assessment suggests that variations in turbulence at the scale of individual roughness elements, and/or within the same broad groupings of geomorphic units (e.g. different types of pools) can have an important influence on hydraulic habitat. The importance of small-scale flow obstructions is further emphasised through analysis of the temporal dynamics of turbulence properties with changes in flow stage and vegetation growth. The highest magnitude temporal changes in turbulence properties were associated with individual boulders and vegetation patches respectively, indicating flow intensification around these sub-geomorphic unit scale features. Experimental research combining flow measurement with underwater videography reveals that more sophisticated turbulence parameters provide a better explanation of fish behaviour and habitat use under field conditions, further supporting direct measurement of turbulent properties where possible. The new insights into interactions between geomorphology, hydraulics and aquatic organisms generated by this work offer opportunities for refining habitat assessment and restoration design protocols to better integrate the important role of turbulence in generating suitable physical habitat for aquatic organisms.

The turbulent properties of flow in rivers are of fundamental importance to aquatic organisms yet are rarely quantified during routine river habitat assessment surveys or the design of restoration schemes due to their complex nature. This thesis uses a detailed review of the literature to highlight the various ways in which plants and animals modify the flow field, how this can deliver beneficial effects; and how turbulence can also generate threats to growth and survival. The thesis then presents the results from detailed field assessments of turbulence properties undertaken on low, intermediate and high gradient rivers to advance scientific understanding of the hydrodynamics of rivers and inform effective habitat assessment and restoration. A reach-scale comparison across sites reveals spatial variations in the relationships between turbulent parameters, emphasising the need for direct measurement of turbulence properties, while a geomorphic unit scale assessment suggests that variations in turbulence at the scale of individual roughness elements, and/or within the same broad groupings of geomorphic units (e.g. different types of pools) can have an important influence on hydraulic habitat. The importance of small-scale flow obstructions is further emphasised through analysis of the temporal dynamics of turbulence properties with changes in flow stage and vegetation growth. The highest magnitude temporal changes in turbulence properties were associated with individual boulders and vegetation patches respectively, indicating flow intensification around these sub-geomorphic unit scale features. Experimental research combining flow measurement with underwater videography reveals that more sophisticated turbulence parameters provide a better explanation of fish behaviour and habitat use under field conditions, further supporting direct measurement of turbulent properties where possible. The new insights into interactions between geomorphology, hydraulics and aquatic organisms generated by this work offer opportunities for refining habitat assessment and restoration design protocols to better integrate the important role of turbulence in generating suitable physical habitat for aquatic organisms.

För att uppnå optimal resursdelning och öka hållbar energiförsörjning, stiger behovet av gränsöverskridande kraftöverföring ständigt. Därför frekventa utbyta information med detaljerade galler uppgifter krävs. För att standardisera sådant utbyte och därigenom främja gemensam kraftsystemstudier i Europa, Common Grid Model Exchange Standard (CGMES) grundar sig på IEC CIM (Common Information Models) utfärdats av ENTSO-E (European Network of Transmission Operators for Electricity) i 2013. En CGMES bedömning av överensstämmelse processen också inrättats att uppmuntra och undersöka antagandet av CGMES med relevanta kraftsystemtillämpningar. Huvudsyftet med denna avhandling är att validera att Network Manager produkten av ABB har genomfört CGMES ordentligt. Effektflödesberäkningar utförs baserat på ENTSO-Es provnäten och erhållna lösningarna jämförs med standard resultat samt resultaten från Power Factory (ett kraftsystem analysverktyg från DIgSILENT som redan har passerat bedömningen av överensstämmelse med framgång). Jämförelse resultaten analyseras alltså för att identifiera orsakerna till eventuella avvikelser från standardeffektflödeslösningar och ge förslag på framtida utveckling av Network Manager.
To achieve optimal resource sharing and enhance the sustainability of energy supply, the need for cross-border power transmission is continuously growing. Therefore, frequent information exchange with detailed grid data is required. To standardize such exchange and thus to facilitate common power system studies in Europe, the Common Grid Model Exchange Standard (CGMES) based on IEC CIM (Common Information Models) was issued by ENTSO-E (European Network of Transmission Operators for Electricity) in 2013. A CGMES conformity assessment process was also set up to encourage and examine the adoption of CGMES with relevant power system applications. The main purpose of this thesis is to validate that the Network Manager product of ABB has implemented CGMES properly. Power flow calculations are performed based on ENTSO-E’s test networks and the solutions obtained are compared with the standard results as well as the results from Power Factory (a power system analysis tool from DIgSILENT that has already passed the conformity assessment successfully).  The comparison results are analyzed thus to identify causes of any variation from the standard power flow solutions and to give suggestions for future development of Network Manager.

The aim of the research was accomplish an assessment of the groundwater resources (budget, distribution and formation) and reveal their formation peculiarities in the Quaternary aquifer system of the southeaster part of Lithuania. Substantiation and formulation of schematization principles of the Quaternary multi-aquifer system for conceptualization of groundwater flow model based on the complex of lithologic, hydrogeochemistry, isotopic and hydraulic data have been developed by this dissertation. Performing data analysis of hydraulically tested aquifers, the hydrogeological parameters which have been used in simulation and their reliability have been adjusted during model calibration based on hydrogeological–hydrological water balance methods with coupled groundwater isotopic-chemistry investigations. Transformation of groundwater isotope-hydrogeochemical composition in the direction from the recharge area toward the discharge places have been estimated on a selected experimental hydrogeological cross–section. According to tritium and simulation modelling data, groundwater flow scheme and average velocity comparison have been made from the highland to lowland. The pre–development groundwater flow and prognostic assessment of groundwater exploitation resources of Quaternary aquifer system with extraction impact on the geoenvironment have been evaluated.
Disertacijos tyrimo objektu buvo Pietryčių Lietuvos kvartero komplekso daugiasluoksnės uolienų storymės požeminio vandens ištekliai (balansas, pasiskirstymas ir formavimas). Disertacinio darbo metu pagrįsti ir suformuluoti kvartero daugiasluoksnės uolienų storymės schematizavimo principai – patikslinta hidrogeodinaminės sistemos sandara remiantis litologiniais duomenimis ir vandeningų sluoksnių tarpusavio ryšio sąlygomis, naudojant hidrogeocheminius, izotopinius ir hidraulinius tyrimus. Išskirti vandeningieji ir pusiau laidūs sluoksniai bei sudarytas kvartero vandeningojo komplekso matematinis modelis. Atlikta ekspertinė modeliavimui naudotų hidrogeologinių parametrų analizė – jų patikimumas tikslintas kalibruojant modelį hidrogeologiniais, infiltracinės mitybos, požeminio nuotėkio balansiniais paskaičiavimais bei požeminio vandens cheminės sudėties ir izotopiniais tyrimais. Parinktame eksperimentiniame hidrogeologiniame pjūvyje – vandens filtracijos kelyje įvertinta požeminio vandens cheminės-izotopinės sudėties transformacija. Remiantis tričio tyrimo ir matematinio modelio duomenimis regioniniame pjūvyje atlikta filtracijos schemos bei filtracijos greičių korekcija. Pirmą kartą, naudojant matematinio modeliavimo metodus, įvertintos Pietryčių Lietuvos kvartero vandeningojo komplekso gamtinių ir eksploatacinių prognozinių gėlo požeminio vandens išteklių formavimosi sąlygos, nustatytas galimas požeminio vandens gavybos poveikis aplinkai.

Neste trabalho é apresentado um método probabilístico para avaliação do desempenho de redes de distribuição considerando incertezas na demanda das cargas e na potência gerada por sistemas distribuídos intermitentes. Os consumidores são divididos em agrupamentos por classe e faixa de consumo e a modelagem da demanda horária dos consumidores de cada agrupamento é realizada por uma lei de distribuição acumulada de probabilidade (CDF) adequada. A geração distribuída é contemplada pela consideração de fonte solar fotovoltaica. O procedimento de simulação do Método de Monte Carlo é empregado e a técnica da Joint Normal Transform é utilizada na geração de números aleatórios correlacionados, empregados na amostragem da demanda dos consumidores e da energia produzida pelos sistemas de geração distribuídos. O método proposto foi aplicado ao conhecido sistema de 13 barras do IEEE e os resultados dos indicadores de perdas na operação bem como indicadores de violação de tensão crítica e precária obtidos com o modelo probabilístico são comparados aos obtidos com o modelo determinístico convencional. É demonstrado que nem sempre a média é uma descrição suficiente para o comportamento dos componentes de redes de distribuição e que é mais adequado utilizar uma representação com intervalos de confiança para as grandezas de interesse.
This work presents a probabilistic method for performance evaluation of distribution networks considering uncertainties in load demand and power generated by intermittent distributed systems. Consumers are divided into clusters by class and consumption range, so the modeling for the hourly demand of the consumers on each cluster is performed by a suitable cumulative probability distribution (CDF). Distributed generation is considered by means of solar photovoltaic sources. The Monte Carlo Simulation (MCS) Method is employed and the Joint Normal Transform technique is applied for correlated random numbers generation, used to sample consumer demand and the energy generated by distributed generation systems. The proposed method was applied in the well-known IEEE 13 node test feeder and the results of the operation losses as well as voltage violation indices obtained by the probabilistic model are compared to those obtained with the conventional deterministic model. It is shown that the mean is not always a sufficient description for the behavior of distribution network components and that it is more appropriate to use confidence intervals for the quantities of interest.

A questão energética, associada às mudanças climáticas e à dependência dos recursos naturais é um dos principais desafios do século XXI. A necessidade de produzir alimentos, para atender a crescente demanda da população, requer o aumento da utilização de máquinas e equipamentos, demandando maior quantidade de energia e causando emissões dos gases de efeito estufa. Fontes de materiais e de energia são consumidas ao longo do ciclo de vida do produto, portanto é importante reduzir a demanda dessas fontes e aperfeiçoar o uso de recursos pelo reuso, reciclagem e materiais renováveis, além da preservação do ambiente. No sistema de produção agrícola, as máquinas agrícolas são consideradas fundamentais para produção de biomassa. A análise de energia em máquinas agrícolas tem sido feita, porém com dados de indicadores da década de 1960. Estudos de energia incorporada e emissões em máquinas agrícolas devem ser feitos, devido à importância do sistema de produção de bioenergia na economia, além da otimização do consumo em operações necessárias à obtenção do produto. Esse estudo propôs determinar o inventário de materiais, energia incorporada e emissões dos gases de efeito estufa em máquinas agrícolas. Foram avaliadas oito máquinas: colhedora de café, pulverizador autopropelido, semeadora-adubadora, colhedora de grãos, trator 55 kW, trator 90 kW, trator 172 kW e trator 246 kW, em seus ciclos de vida útil. Tais sidos adotados segundo três fontes distintas. Os dados foram coletados em uma montadora multinacional, em suas unidades localizadas nos municípios de Piracicaba e Sorocaba, Estado de São Paulo e no município de Curitiba, Estado do Paraná, Brasil. Para cada máquina foi contabilizado o consumo dos insumos diretos utilizados na fase de montagem, e também o consumo dos insumos utilizados na fase de manutenção. Os dados de consumo dos insumos foram processados apresentando os fluxos de materiais utilizados, os quais foram multiplicados pelo seu índice de energia incorporada e fator de emissões, resultando na energia incorporada e nas emissões dos gases de efeito estufa, requeridos pelo sistema de produção. Os resultados apresentaram que a energia incorporada e emissões foram maiores no ciclo de vida indicado pelo fabricante, para colhedora de café, pulverizador, semeadora-adubadora, colhedora de grãos, e no ciclo de vida indicado pelo (BRASIL, 2010), para os tratores 55 kW, 90 kW, 172 kW e 246 kW, respectivamente. Para avaliação ambiental em tratores, equações foram fornecidas para demanda de energia e emissões pela massa (energia = -0,0057 massa + 129,2669), (emissões = -0,0003 massa + 5,9845) e pela potência motor (energia = -14,7672 potência motor + 6.507,9639), (emissões = -0,6861 potência motor + 299,1242).
The energy subject, associated with global climate changes and the environment dependency is one of the main challenges of 21st century. The need to produce food, to meet the growing demand of the population, requires increased use of machinery and equipment, demanding more energy and raising greenhouse gases emissions. Materials and energy sources are consumed during the product life cycle, so it is important to reduce the demand for these sources and optimizing the use of resources by reuse, recycling and renewable materials, plus environment preservation. At agricultural production system, agricultural machinery are considered fundamental for biomass production. The energy analysis in agricultural machinery has been done, but with indicator data from late 1960s. Embodied energy and emissions studies in agricultural machinery should be done, because of bioenergy production system importance in economy, beyond consumption optimization in operations necessary to obtain the product. This study aimed to determine the inventory for materials, embodied energy and greenhouse gases emissions in agricultural machinery. Eight machines were evaluated, so called: coffee harvester, self-propelled sprayer, seeder-fertilizer, combine harvester, tractor 55 kW, tractor 90 kW, tractor 172 kW and tractor 246 kW, on their life cycle. Such were taken from three different sources. The data were collected in a multinational manufacturer, in its units located at Piracicaba and Sorocaba regions, State of São Paulo and Curitiba region, State of Paraná, Brazil. For every harvester, the consumption of the direct input used in the assembly phase, was accounted, and also the consumption of the input used in the maintenance phase. The consumption data of the inputs were processed presenting the materials flows used, which they were multiplied by their embodied energy indices and emissions factor, resulting in the embodied energy and greenhouse gases emissions required by the production system. The results presented higher embodied energy and emissions on life cycle mentioned per manufacturer, for coffee harvester, sprayer, seeder-fertilizer, combine harvester, and on life cycle mentioned per (BRASIL, 2010), for tractors 55 kW, 90 kW, 172 kW and 246 kW, respectively. For environmental assessment on tractors, equations were provided to energy demand and emissions per mass (energy = -0.0057 mass + 129.2669), (emissions = -0.0003 mass + 5.9845) and per engine power (energy = -14.7672 engine power + 6,507.9639), (emissions = -0.6861 engine power + 299.1242).

Negli ultimi tre decenni la domanda globale di cibo, in particolare di proteine animali (carne, latte, uova), è aumentata in base alla crescita della popolazione che dovrebbe arrivare a 9 miliardi di persone entro il 2050. Questi alimenti rappresentano infatti un'importante fonte di energia, proteine di alta qualità, micronutrienti e vitamine. Pertanto, questo miglioramento potrebbe contribuire all'aumento della durata della vita e della domanda di cibo. Ciò ha costretto il settore agricolo ad un'ulteriore intensificazione che ha interessato anche la coltivazione di colture per l'alimentazione animale. Le produzioni agricole e zootecniche hanno un impatto ambientale rilevante, e questo argomento è oggetto di critiche e di indagini scientifiche anche per definire più accuratamente il loro contributo e le relative potenziali strategie di mitigazione, considerando anche che la fase agricola è il principale contributore dell'impatto ambientale della catena di produzione alimentare. Si riconosce infatti che il settore agricolo contribuisce direttamente al 21% delle emissioni totali di gas serra di origine antropica a livello mondiale e consiste per lo più di metano seguito da protossido di azoto e anidride carbonica. Queste emissioni sono per lo più associate alla produzione zootecnica, in particolare all'allevamento di ruminanti che contribuisce con le emissioni dirette di metano dovute alla fermentazione dei ruminanti e alla fermentazione del letame; la restante parte è composta da emissioni indirette dovute alla deforestazione, all'uso di energia e alla produzione di mangimi. Lo scopo di questa tesi è stato la valutazione dell'impronta ambientale nel settore zootecnico a diversi livelli di scala tematica. La filiera italiana della carne, gli allevamenti lattiero-caseari, un caseificio per la produzione di Grana Padano DOP e i singoli animali sono stati studiati per quantificare l'impronta ambientale. Nel primo lavoro è stata valutata la filiera italiana della carne con un approccio di analisi dei flussi di massa e di valutazione del ciclo di vita. In primo luogo, la quantificazione della carne è stata effettuata dalla macellazione al consumo domestico, partendo dal peso della carcassa fino alla carne realmente consumata. A questo livello si è tenuto conto della carne di bovini, suini, ovini e caprini, equidi e conigli. Durante la catena sono state quantificate anche le perdite di carne e i rifiuti. In particolare, i sottoprodotti di origine animale (SOA) sono stati quantificati per singole specie e classificati in base al rischio a livello sanitario secondo il regolamento (CE) 1069/2009. Secondo la categoria (Cat 1, Cat 2 o Cat 3), supponendo che tutti i SOA fossero destinati al processo di rendering, l'uso e lo smaltimento dei prodotti dopo rendering è stato identificato. L'analisi dei flussi di massa ha confermato come l'Italia sia un importatore netto di carne bovina e suina, mentre è autosufficiente per quanto la carne avicola. L'analisi dei flussi di massa rivela che nel 2013 sono stati consumati in Italia 2,86 Mt di carne. Questo valore equivale a 131 g/giorno/pro-capite e a 47,91 kg/anno/pro-capite di carne consumata. In percentuale la quantità totale di carne consumata è rappresentata dal 46% da carne suina, dal 28% di carne avicola, dal 23% di carne bovina e dal 3% di altre carni (coniglio, equini, ovini e caprini). Questo approccio ha permesso di quantificare anche sottoprodotti di origine animale (SOA) prodotti durante la fase di macellazione e gli scarti alimentari a livello di vendita al dettaglio e fase di consumo. La fase di macellazione è risultata essere la principale fonte di rifiuti, producendo il 48% di rifiuti originati nella filiera della carne. I risultati hanno evidenziato come i SOA siano già quasi completamente riutilizzati, compatibilmente con il loro rischio a livello sanitario, dimostrando la circolarità del sistema e permettendo di quantificare anche i prodotti evitati grazie al loro riutilizzo e le relative emissioni di gas serra evitate. Per quanto riguarda gli altri rifiuti alimentari, i risultati della presente valutazione possono essere considerati solo una stima per la mancanza di specifici coefficienti nazionali. Dopo la fase di quantificazione, è stato applicato l'approccio del Life Cycle Assessment (LCA) per valutare l'impronta ambientale, considerando anche il prodotto evitato grazie al riutilizzo dei sottoprodotti del rendering. I risultati dell'LCA rivelano che il consumo giornaliero di carne pro-capite emette 4,0 kg di CO2eq, con un contributo della care bovina pari al 30%, della carne suina pari al 9.6% e della carne avicola pari all’8%. Le emissioni relative ai SOA sono risultate essere pari al 60% di quelle totali e il loro riutilizzo ha permesso una riduzione di queste del 10%. Il secondo ed il terzo lavoro sono stati invece relativi al potenziale di riscaldamento globale (GWP) di latte bovino e Grana Padano DOP. Complessivamente sono stati valutate ventisette aziende zootecniche con bovine da latte, con latte destinato al formaggio Grana Padano DOP, e un caseificio, situato nella provincia di Piacenza. I dati primari sono stati raccolti utilizzando un questionario appositamente redatto. Questo ha incluso per le aziende agricole la richiesta di dati relativi alla composizione della mandria, la gestione dell'alimentazione, la produzione di latte e performance riproduttive, piani colturali e l'utilizzo delle risorse energetiche e dei materiali di lettime, mentre per il caseificio sono stati richiesti dati relativi all'utilizzo delle risorse energetiche e gli input richiesti dal processo di caseificazione. Nel secondo lavoro sono state valutate 10 aziende lattiere per valutare l'impronta di carbonio del latte (CF) e individuare le principali fonti di emissioni. Lo studio ha utilizzato un approccio dalla culla alla tomba considerando come unità funzionale un 1 kg di latte corretto per contenuto di grasso e proteine (FPCM). Il valore medio di CF di 1 kg di FPCM è risultato essere pari a 1,33 kg di CO2eq/kg FPCM con però un ampio range di variazione, da 1,02 a 1,62 kg di CO2eq/kg FPCM. Le emissioni dovute alle fermentazioni enteriche e alle fermentazioni da reflui rappresentano il 52% del totale, mentre le emissioni relative agli alimenti acquistati il 36%. L'autoproduzione e il consumo energetico rappresentano invece rispettivamente il 6% e il 6%. Nel terzo lavoro invece è stata presa in considerazione la produzione di Grana Padano DOP. In questo caso è stato utilizzato un approccio dalla culla al cancello del caseificio considerando come unità funzionali 1 kg di FPCM e 1 kg di Grana Padano DOP stagionato 9 mesi. Il latte destinato alla produzione del formaggio ha mostrato un valore medio di CF pari a 1,38 kg CO2eq/kg FPCM, con un valore minimo di 1,02 e uno massimo di 1,94 kg CO2eq/kg FPCM. Il valore medio di CF di 1 kg di formaggio Grana Padano DOP è stato invece pari a 9,99 kg di CO2eq, con un contributo della fase agricola pari al 94%. I risultati di questi lavori si sono mostrati in accordo con studi simili riportati in bibliografia e hanno inoltre permesso di evidenziare come gli allevamenti da latte mostrassero un maggior livello di sostenibilità ambientale ma con possibilità di miglioramento principalmente attraverso il miglioramento della gestione delle mandrie (prestazioni produttive e riproduttive). Il quarto lavoro ha riguardato invece lo sviluppo di proxy in grado di prevedere le emissioni di metano da singole bovine da latte. Questo focus è un punto caldo di ricerca, soprattutto perché di fondamentale importanza per individuare strategie di mitigazione efficaci per la riduzione delle emissioni di metano dovute a fermentazioni ruminali, gas ad effetto serra riconosciuto avere il maggior contributo sul totale delle emissioni. Le emissioni di metano dipendono principalmente dal quantitativo di concentrato assunto e dalla composizione generale della dieta, ma tuttavia nelle aziende agricole commerciali risulta difficile quantificare con precisione l’ingestione di alimenti. Lo studio ha quindi mirato a verificare la possibilità di utilizzare la tecnologia del vicino infrarosso (NIRS) utilizzando lo spettro di campioni di feci (NIRSf) e/o in combinazione con altri parametri fenotipici disponibili a livello aziendale per prevedere la produzione di metano (MP, g/giorno) dalle singole vacche da latte in lattazione. Il NIRSf da solo ha permesso una stima abbastanza buona della produzione di metano e le stime sono state migliorate in misura simile quando sono stati considerati il peso vivo o la produzione di latte tal quale o la produzione di latte corretta per il contenuto energetico, mentre la combinazione del NIRSf con più di un altro parametro ha migliorato le stime solo in misura molto limitata. Il metano può essere previsto utilizzando modelli che considerano l’ingestione di sostanza sezza, il peso vivo o la produzione di latte ma il limite principale è rappresentato dalla disponibilità dei dati a livello aziendale. La tecnica del vicino infrarosso applicata ai campioni fecali, in particolare se combinata con altri parametri fenotipici, può rappresentare una valida alternativa per misurazioni su larga scala in allevamenti da latte commerciali, quando l’ingestione di sostanza secca di solito non è disponibile, per la selezione genetica di vacche da latte a bassa emissione.
In the last three decades global demand of food, in particular animal proteins (meat, milk, and eggs), has increased according to the population growth, that is expected to go up to 9 billion by the 2050. These, in fact, represent an important source of energy, high-quality protein, micronutrients and vitamins. Therefore, this improvement could contribute to the lifespan increase and food demand. The latter forced the agricultural sector to a further intensification that affected also the cultivation of crops for animal feeding. Agricultural and livestock productions have a relevant environmental impact, and this topic is object of criticism and scientific investigation also to more accurately define its contribution and potential mitigation strategies, considering also that agricultural stage is the main contributor to the environmental impact of the food production chain. It is recognized, in fact, that agricultural sector directly contribute to the 21% of total global anthropogenic greenhouse gas emissions, mostly consisting of methane followed by nitrous oxide and carbon dioxide. These emissions are mainly associated with the livestock production, in particular with ruminants breeding that contributes directly to methane emissions due to ruminal and manure fermentation; the remaining part is composed by indirect emissions from deforestation, energy use and animal feed production. The scope of this thesis was the evaluation of environmental footprint in the livestock sector at different subject scale level. Italian meat supply chain, dairy farms, Grana Padano PDO cheese factory and single animals was investigated in order to quantify environmental footprint. In the first work, the Italian meat supply chain has been evaluated whit a mass flow analysis (MFA) approach and life cycle assessment (LCA) approach. Firstly, the quantification of meat had been made from slaughter to household consumption, starting form carcass weight to real meat consumed. At these levels, meat form cattle, pig, sheep and goat, equidae, and rabbit was taken in account. During the chain also meat losses and waste were quantified. In particular animal by-products (ABPs) were quantified for single species and categorized into heath level risk according to the Regulation (EC) 1069/2009. According to the category (Cat 1, Cat 2 or Cat3), assuming that all ABPs were destinated to rendering process, use and disposal of rendered products was identified. The MFA confirmed how Italy is a net importer of cattle and pork meat while it is self-sustaining for poultry meat. Mass flow analysis revealed that in 2013, 2.86 Mt of meat were consumed in Italy. It is equivalent to 131 g/day/pro-capita and to 47.91 kg/year/pro-capita of meat consumed. In percentage the total amount of consumed meat is represented by 46% of pig, 28% of poultry and 23% of cattle and 3% of other meat (rabbit, equidae, and sheep and goat). This approach quantified the ABPs produced at slaughtering level and food wastes at retail and consumer levels. Slaughter phase was the main source of waste, producing 0.80 Mt of ABPs, 48% of the total amount of waste originated in the meat supply chain. Results highlighted how the ABPs are already almost completely reused, compatibly with their health level risk, demonstrating the circularity of the system through the quantification of the avoided products and relative GHGs emissions. Concerning other food wastes, the results of the present evaluation could be considered only an estimate due to the lack of specific national coefficients. After quantification LCA was applied in order to evaluate environmental footprint, considering also avoided product due to the re-use of rendered ABPs. LCA results reveal that daily meat consumption pro-capita emits 4.0 kg CO2eq represented by 30% of cattle meat, 9.6% of pig meat and 8% of poultry meat. Emissions allocated to ABPs are the 60% and their re-use decrease the emissions about 10%. Second and third works focused the milk and PDO Grana Padano global warming potential (GWP). Overall, twenty-seven dairy farms, producing milk destinated to Grana Padano PDO cheese and one cheese factory, situated in the Piacenza province were evaluated. Primary data were collected by using a specific survey. This included for the farms the request of data regarding herd composition, feeding management, milk production, herd management and performace, crops cultivation and resource use, whereas for the cheese factory, the survey included energy resource use and input requested by cheese making process. In the second work, 10 dairy farms were evaluated in order to assess the milk Carbon Footprint (CF) and the main source of emissions. The system boundary was a cradle-to-farm-gate and functional unit is 1 kg of FPCM (Fat and Protein corrected milk). The CF of 1 kg of FPCM resulted equal to 1.33 kg CO2eq/kg FPCM with a wide range of variation from 1.02 to 1.62 kg CO2eq/kg FPCM. Emissions due to enteric fermentation and manure fermentation represented the 52% of the total, while acquired feed the 36%. Self-production and energetic consumption represented 6% and 6% respectively. In the third, Grana Padano PDO production was considered. The milk destinated to cheese processing showed an average value of CF equal to 1.38 kg CO2eq/kg FPCM, with a minimum value of 1.02 and a maximum one of 1.94 kg CO2eq/kg FPCM. Instead, the CF average value of 1 kg of PDO Grana Padano cheese was equal to 9.99 kg CO2eq, showing an agricultural stage contribution of 94%. Results of these works were in accord with similar studies reported in literature and had pointed out how dairy farms showed a greater level of environmental sustainability but with possibilities for improvement, mainly through herd management enhancement (productive and reproductive performances). Fourth work was about the development of proxies able to predict the methane emissions from individual cows. This focus is a hot research point in order to improve the mitigation strategies to reduce methane emissions because of the main GHG contributor. Methane emission is mainly driven by feed intake and diet composition, but it is difficult to measure intake in commercial farms. The study aimed to verify the possibility of using NIRS of faeces (NIRSf) alone and in combination with other phenotypic parameters available at a farm level to predict methane production (MP, g/d) from individual lactating dairy cows. NIRSf alone allowed a fairly good estimation of methane yield and the estimations were improved to a similar degree when BW, MY or ECM were considered, whereas combining NIRSf with more than one other parameters improved the estimations with a very little extent only. Methane can be predicted using models that consider the DMI, BW or MY but the main limitation is represented by the data availability. Near Infrared technique applied to faecal samples, in particular when combined with other phenotypic parameters, can represent a valid alternative for large-scale measurements in commercial dairy farms for genetic selection of low emitters dairy cows, when DMI measurement is usually not available.

Inflammation is a defence mechanism involving the immune system, inresponse to infection or other types of cell damage. In acute inflammation,immunecells migrate to the injury site, become activated and express pro-inflammatory cytokinesto rapidly eliminate the pathogenic factors. Chronic inflammation may be preceded by the persistence of acute inflammation and involves mononuclear invasion that causes tissue damage orrepair. Chronic inflammation is now thought to be aprocess underlying a significant percentage of disease-related deaths worldwide. Therefore, it is importanttodevelop methods to identify inflammationof patients in the least invasive way. The current work aims to optimise a protocol to investigateinflammation biomarkers in patients suffering from chronic diseases. We hypothesised that these biomarkerscould be addressed by analysing patients blood samplesor fibroblast stimulated with mitogen orpro-inflammatory cytokines. To optimise the stimulation protocol, we tested different concentrations of PMA with Ionomycin, TNFαand lipopolysaccharide(LPS)to obtain effective cellular stimulation in the shortest time possible, preserving cell viability. For the blood sample,we evaluated cell surface biomarkers, CD69and CD154and the expression of the pro-inflammatory cytokineIFNγbyflow cytometrywhile for fibroblasts we analysed the expression of IL-6 and FGF-2 by RT-qPCR.Our results showedthat the ideal concentration of stimulus used for evaluation of whole blood samples is 50 ng/ml of PMA +1μg/ml of ionomycin for cytokine evaluation and 5,5 ng/ml of PMA +0,05 μg/ml of ionomycinfor cell surface markersevaluation.Moreover, the optimal concentration for dermal fibroblastsstimulationis100 ng/ml of TNFα, 25 ng/mlofPMA+ 3 μg/ml ionomycin and 1 μg/ml of LPS.We were able to observe the expression of all biomarkers tested and their modulation upon stimulation.This work helps to demonstrate that a rapid protocol can be used to evaluate inflammatory biomarkers in blood samples and that fibroblast can be a reliable alternative to evaluate inflammatory stimulation. These protocols are essential to screenfor inflammation biomarkers in diseases suchasosteoarthritis, cancer, asthma, among others.
A inflamação é um mecanismo de defesa que envolve o sistema imunitário, em resposta à infeção ou a outros tipos de danos celulares. Na inflamação aguda, as células imunes migram para o local da lesão, tornam-se ativadas, expressam citocinas pró-inflamatórias para eliminar rapidamente os fatores patogénicos. A inflamação crónica pode ser precedida pela persistência da inflamação aguda e envolve a invasão mononuclear que causa dano ou reparo do tecido. A inflamação crónica é atualmente considerada um processo subjacente a uma percentagem significativa de mortes relacionadas a doenças em todo o mundo. Por conseguinte, é importante desenvolver métodos para identificar a inflamação nos pacientes da forma menos invasiva.O presente trabalho tem como objetivo otimizar um protocolo para investigar biomarcadores de inflamação em pacientes portadores de doenças crónicas. A nossa hipótese recaiu sobrese osbiomarcadores utilizados poderiam ser direcionados para a análise de amostras de sangue de doentes ou fibroblastos estimulados com mitogénio ou citocínas pró-inflamatórias.Para otimizar o protocolo de estimulação, testamos diferentes concentrações de PMA com Ionomicina, TNFα e lipopolisacárido (LPS)para obter uma estimulação celular eficaz no menor tempo possível, preservando a viabilidade celular. Para a amostra de sangue, avaliamos biomarcadores de superfície celular, CD69 e CD154 e a expressão da citocina pró-inflamatória IFNγpor citometria de fluxo, enquanto para fibroblastos analisámos a expressão de IL-6 e FGF-2 por RT-qPCR.Os resultados mostraram que a concentração ideal de estímulo utilizada para avaliação de amostras de sangue total é de 50 ng/ml de PMA + 1 μg/ml de ionomicina para avaliação de citocinas e 5,5 ng/ml de PMA + 0,05 μg/ml de ionomicina para avaliação demarcadores celulares de superfície. Além disso, a concentração ideal para estimulação de fibroblastos dérmicos é de 100 ng/ml de TNFα, 25 ng/ml de PMA + 3 μg/ml de ionomicina e 1 μg/ml de LPS. Conseguimos observar a expressão de todos os biomarcadores testados e a sua modulação após estimulação.Este trabalho ajuda a demonstrar que um protocolo rápido pode ser usado para avaliar biomarcadores inflamatórios em amostras de sangue e que os fibroblastos podem ser uma alternativa confiável para avaliar a estimulação inflamatória. Estes protocolos são essenciais para rastrear biomarcadores de inflamação em doenças, como osteoartrite, cancro, asma, entre outras.

In the pharmaceutical industry, both in research and development and industrial process, continuous reaction monitoring became early on an important part of drug development and control. The generally used chromatography techniques have some disadvantages such as being destructive, time-consuming and expensive. Nuclear Magnetic Resonance spectroscopy has been used as an alternative to these techniques however the acquisition and maintenance cost of these instruments have been an obstacle towards a generalized use in an industrial setting. With the breakthrough in the development of benchtop NMR instruments, this technique has become a competitive alternative to traditional analysis methods, offering a rapid, non-destructive, more economic, and environmentally friendly analysis, applicable to both simple and more complex systems. In this thesis, we aimed to assess the viability of using benchtop NMR to study chemical reactions, in continuous flow conditions, in a research and development pharmaceutical laboratory. We performed an in-depth study on the sensitivity and capacity of the instrument, like reproducibility and validation parameters (limit of detection (LOD) and limit of quantification (LOQ)) to evaluate its response to challenging problems in the production of drugs in the pharmaceutics industry, and in a research laboratory environment. Later, we used reaction models as proof of concept for its application in online reaction monitoring. These studies led us to conclude that benchtop NMR can be an asset in the study of reactions in flow mode, obtaining real-time quantitative information, allowing the concentration of the rea-gent/product to be determined throughout the reaction with rapid analysis time. This led us to make a general guideline that allows a user to decide if benchtop NMR can be used for a specific reaction and if so, what are the conditions that must be addressed during the monitoring experimental conditions. Benchtop NMR spectroscopy offers great possibilities to become, in the future, a common, affordable tool for reaction monitoring both in industry and even in an academic environment.
Na indústria farmacêutica, a monitorização de reações tornou-se uma parte importante no desenvolvimento e controlo de fármacos, quer em ambiente laboratorial de investigação e desenvolvimento (&D) quer a nível industrial. Este controlo é, usualmente, feito utilizando técnicas cromatográficas, contudo estas têm a desvantagens de serem técnicas destrutivas, demoradas e de custo monetário elevado. A espectroscopia de ressonância magnética nuclear (RMN) tem vindo a ser considerada uma possível alternativa a estas técnicas, contudo o custo de aquisição e de manutenção dos equipamentos tem sido o maior obstáculo para a sua utilização generalizada num ambiente industrial. Com o avanço no desenvolvimento de aparelhos de RMN de bancada, esta técnica tornou-se uma alternativa competitiva aos métodos analíticos tradicionais, oferecendo uma análise rápida, não destrutiva, mais económica e sustentável, aplicável tanto a sistemas simples como a sistemas moleculares mais complexos. O objetivo desta tese foi avaliar a viabilidade da utilização de aparelhos de RMN de bancada para monitorizar reações químicas em fluxo contínuo, num laboratório farmacêutico de I&D. Assim, para avaliar a resposta deste tipo de equipamentos para os problemas presentes na produção de fármacos e num ambiente laboratorial, foi feito um estudo da sensibilidade e da capacidade do instrumento, analisando parâmetros de reprodutibilidade e de validação (limite de deteção (LOD) e de quantificação (LOQ)). Posteriormente, usámos modelos de reações como prova de conceito para verificar a sua aplicação na monitorização online de reações. Estes estudos permitiram-nos concluir que os aparelhos de RMN de bancada podem ser uma mais-valia no estudo de reações em fluxo, obtendo informação quantitativa em tempo real, permitindo determinar a concentração de reagentes/produtos ao longo do tempo da reação de um modo rápido e com mínimo de manipulação. Os resultados permitiram construir um protocolo geral para o utilizador decidir se perante uma reação específica se este tipo de equipamento pode ser usado uma reação especifica e, em caso afirmativo, quais são as condições experimentais que devem ser abordadas durante a monitorização. A técnica de espectroscopia de RMN de bancada apresenta um enorme potencial de se tornar, no futuro, uma ferramenta comum e acessível para a monitorização de reações, tanto em ambiente industrial como em ambiente académico.

Traffic flow modelling is the most significant component undertaken by the static and the dynamic network loading (DNL) models in the traffic assignment. Dynamic network loading models represent a non-linear relationship between each link flow and its path flow, as they are the fundamental element in estimating the dynamic interaction between demand and supply in oversaturation condition. Moreover, the solution for dynamic network loading problems is necessary for generating the dynamic traffic assignment (DTA) models. Dynamic models can be characterized according to the simulation details level: microscopic, macroscopic or mesoscopic models. Accordingly, microscopic simulation models fit well in small-scale planning determinations with interest addressed to entities’ interactions as these models describe the interaction between vehicles, and between vehicle themselves and transportation infrastructure. Instead, macroscopic models are capable of the general planning purposes adopting large-scale simulations. As they assume the traffic as a continuous fluid and the flow is subject to the congruency and to the continuity constraints. Finally, the mesoscopic approach simulates most of the entities at a high level, but activities and interactions at a low level of details. In this context, for a reasonable level of details, coupled with entities interaction information at once, mesoscopic models simulate each link considering the traffic as a set of continuous or discrete packets: a continuous packet is defined by its head and tail, conversely to the discrete packet which is defined by its head, regardless of the tail position. Many different aspects can be included within the dynamic network loading models such as the multiclass property. It includes the vehicular type in the mesoscopic simulation, which generates different dynamics on the same link considering more than one vehicle type at the same time. With this complication, once the supply becomes unable to meet the demand (oversaturation condition), evaluation of the queuing spillback is necessary to prevent excessive delays and to forecast the new trip travel time. For this aim, this thesis proposes a new dynamic network loading model which simulates traffic dynamics (speed, density, flow, queue, etc.) explicitly, through modelling the traffic flow considering a discrete mesoscopic simulation model in a multiclass environment. The proposed model is capable of using two speed-density relations to simulate flow dynamics: the Greenshields and the triangular-shaped fundamental diagram. FIFO rule holds between the vehicles in the same class and creeping speed is assumed to avoid circulation blockage in oversaturation conditions. Moreover, three vehicle classes (private car, bus, truck) have been considered in the simulation. The proposed model has been validated in undersaturation conditions by comparing model estimations with real observations collected by ATC sensors for Maliha Highway in the United Arab Emirates. For assessing the dynamic queue spillback, the proposed model has been applied to a simple network for easily assessing its capabilities in oversaturation conditions. Moreover, a comparison with a commercial traffic simulation software, Aimsun Next, has been carried out to evaluate the performance of the proposed model. The comparison has shown a relatively similar behaviour and simulation time for all classes in the case of using the triangular fundamental diagram relation but with much more fluctuation for the Aimsun model. On the contrary, using Greenshields relations provided the same behaviour but with much longer simulation time. As a result, the proposed model has presented the mesoscopic simulation in a more reliable way since Aimsun seems to include other microscopic characteristics in the mesoscopic traffic simulation like start-and-stop behaviour. Finally, it can be used with confidence as a tool to quantify the traffic dynamics of each class in oversaturation conditions including queue spillback. Keywords—congestion, flow propagation, Greenshields model, queue spillback, multiclass mesoscopic simulation.