Submitted by Emanuel Varela Cardoso (emanuel.varela@ufcg.edu.br) on 2018-08-21T23:56:25Z No. of bitstreams: 1 RAMON VIANA DE SOUSA – DISSERTAÇÃO (PPGEP) 2017.pdf: 4546181 bytes, checksum: 1ade137231c59d3b97ff1efa12a0f8c8 (MD5) / Made available in DSpace on 2018-08-21T23:56:25Z (GMT). No. of bitstreams: 1 RAMON VIANA DE SOUSA – DISSERTAÇÃO (PPGEP) 2017.pdf: 4546181 bytes, checksum: 1ade137231c59d3b97ff1efa12a0f8c8 (MD5) Previous issue date: 2017-08-30 / O presente trabalho de pesquisa teve como objetivos estudar o comportamento das massas específicas aparente e real; porosidade intergranular pelo método do deslocamento de líquidos e o calor específico determinado pelo método das misturas para teores de água variando de 11,6 a 30,06%, base úmida; determinar as isotermas de dessorção de equilíbrio higroscópico pelo método estático com uso de solução saturadas de sais, utilizando-se quatros níveis de temperatura 10, 20, 30 e 40 °C e cinco níveis de umidade relativa do ar variando entre 11,15 a 84,32%; para análise dos dados experimentais foram utilizados sete modelos matemáticos: Henderson modificada por Cavalcanti Mata, Henderson modificada por Thompson, Chung–Pfost, Halsey modificada, Cavalcanti Mata e Henderson; determinar, experimentalmente, o calor latente de vaporização da água do arroz vermelho em função do teor de água e temperatura, utilizando o método Othmer ; analisar a cinética de secagem em camada fina utilizando um secador de leito fixo com ventilação forçada em cinco temperaturas: 40, 50, 60, 70 e 80 °C para teores de água inicial de 20, 25 e 30% aplicando-se aos dados experimentais cinco modelos matemáticos: Henderson modificada por Cavalcanti Mata, Henderson modificada por Thompson, Henderson, Fick, Page e Thompson; realizar a secagem e simulação matemática em camada espessa para temperaturas de 40, 50, 60 e 70 °C e teores de água estabelecidos na camada fina . Os resultados obtidos permitiram concluir que as massas específicas aparente e real, a porosidade intergranular e calor específico aumentaram com a elevação do teor de água e que o comportamento das propriedades físicas do arroz vermelho podem ser representadas em função do teor de água pelo modelo linear simples. Observou-se que o teor de água de equilíbrio higroscópico, para uma mesma umidade relativa, diminuiu com a elevação de temperatura, assim como, para uma mesma temperatura, o teor de água de equilíbrio higroscópico aumenta com o aumento da umidade relativa do ar, seguindo a mesma tendência da maioria dos produtos agrícolas. Baseando -se em parâmetros estatísticos, os modelos de Henderson modificada por Cavalcanti Mata e Henderson modificada por Thompson foram os que melhor representaram a higroscopicidade dos grãos de arroz vermelho em casca. A difusividade efetiva dos grãos de arroz vermelho, estimada pelo modelo Fick, aumentou com a elevação da temperatura do ar de secagem. Verificou-se também, que para cada temperatura analisada a difusividade efetiva aumenta com o aumento do teor de água inicial. Através das curvas de cinética de secagem, constatou-se que quando se aumenta a temperatura ocorre uma diminuição do tempo de secagem, enquanto para o teor de água inicial, quanto maior seu valor maior será a taxa de secagem no início do processo. Dentre os modelos analisados na cinética de secagem, o de Cavalcanti Mata foi o que melhor ajustou-se aos dados experimentais em todas as temperaturas e teores de água iniciais estudados. A simulação da secagem em camada espessa utilizou o modelo de Thompson, no qual apresentou uma concordância entre os dados experimentais e simulados para os valores médios das camadas, tendo o menor desvio médio final com temperatura de 60 °C e teor de água inicial equivalente a 20% b.u. / The present research work had as objectives to study the behavior of the apparent and real specific masses; intergranular porosity by liquid displacement method and the specific heat determined by the method of mixtures for water contents ranging from 11.6 to 30.06%, wet basis; determining the equilibrium desorption isotherms hygroscopic by the static method with use of saturated salt solution, using four temperature levels 10, 20, 30 and 40 ° C and five levels of relative humidity of t he air ranging from 11.15 to 84,32%; for the analysis of experimental data seven mathematical models were used: Henderson modified by Cavalcanti Mata, Henderson modified by Thompson, Chung-Pfost, modified Halsey, Cavalcanti Mata and Henderson; determining, experimentally, the latent heat of vaporization of water from red rice as a function of water content and temperature , using the method Othmer; analyzing the drying kinetics of a thin layer using a fixed bed drier with forced ventilation in five temperatures: 40, 50, 60, 70 and 80 ° C for initial water contents of 20, 25 and 30% by applying to the experimental data five mathematical models: Henderson modified by Cavalcanti Mata, Henderson modified by Thompson, Henderson, Fick, Page and Thompson; to perform drying and mathematical simulation in a thick layer at temperatures of 40, 50, 60 and 70 ° C and water levels established in the thin layer. The results showed that the apparent and real specific masses, the intergranular porosity and specific heat increased with increasing water content and that the behavior physical properties of red rice can be represented depending on the water content of the simple linear model. It was observed that the equilibrium water content, to the same hygroscopic relative humidity, decreased with temperature elevation, as to the same temperature, the hygroscopic equilibrium water content increases with increasin g relative humidity, following the same trend of most agricultural products. Based on statistical parameters, models Henderson modified by Cavalcanti Mata and Henderson modified by Thompson were the best represented the hygroscopicity of red grains of rice in husk. The effective diffusivity of red rice grains, estimated by Fick model, increased with increasing drying air temperature. It was also found that for each temperature examined the effective diffusivity increases with increasing initial water content. Through the drying kinetics curves, it was found that increasing temperature is a decrease in drying time, while for the initial water content, the greater will be its highest drying rate early in the process. Among the models analyzed in the drying kinetics, the Cavalcanti Mata was the best set to the experimental data at all temperatures and initial water contents studied. The simulation of the thick layer drying used the Thompson model, in which it showed a concordance between the experimental and simulated datas for the average values of the layers, having the lowest average final deviation with temperature of 60 ° C and initial water content equivalent to 20% b.u.

Les renforts à base de fibres de lin sont aujourd’hui une alternative capable de concurrencer les fibres synthétiques conventionnelles puisqu’ils sont écologiques, économiques et présentent des propriétés mécaniques intéressantes. Cependant, leur inconvénient majeur est leur absorption d’eau potentiellement importante qui affecte leurs propriétés mécaniques. Ce projet de recherche propose d’étudier le comportement hygroscopique et le couplage hygro-mécanique dans les composites lin / époxy. Cette étude repose sur une approche expérimentale multi-échelle et une modélisation du comportement visco-élasto-plastique avec prise en compte du couplage hygro-mécanique des composites renforcés par des fibres de lin. Les cinétiques de diffusion dans l’époxy et dans le composite ont été modélisées par une loi de type Langmuir et Fick respectivement. Les coefficients d’hygro-expansion des composites et des fils élémentaires qui constituent le renfort tissu ont été déterminés expérimentalement. Une étude de l’influence du conditionnement jusqu’à saturation à différentes humidités relatives sur le comportement mécanique dans les trois directions du stratifié a également été menée. Cette étude a montré l’existence d’une teneur en eau optimale pour laquelle les propriétés mécaniques sont optimales. L’émergence d’un comportement à deux régions linéaires a été mise en évidence et attribuée à la présence d’hétérogénéités locales au sein du renfort tissu. Des essais de fluage / recouvrance et de relaxation / effacement ont permis de mettre en place un modèle visco-élasto-plastique avec prise en compte du couplage hygro-mécanique. Ce modèle offre de bonnes capacités de prédiction et permettra de prévoir le comportement des structures composites renforcés par des fibres de lin en atmosphère humide. / Flax fibre reinforcements are nowadays an alternative able to compete with conventional synthetic fibres since they are ecological, economic and have interesting mechanical properties. However, their major drawback is their potentially significant water absorption which affects their mechanical properties. This research project proposes to study the hygroscopic behaviour and hygro-mechanical coupling in flax / epoxy composites. This study is based on a multi-scale experimental approach. A modelling of visco-elasto-plastic behaviour taking into account the hygro-mechanical coupling within flax /epoxy composites is established. The diffusion kinetics in composites were modelled by a Fick law. However, the diffusion kinetics in epoxy were modelled by a Langmuir law. The hygro-expansion coefficients of the composites and the elementary yarns that constitute the fabric reinforcement were determined experimentally. A study of the influence of conditioning until saturation at different relative humidities on the mechanical behaviour in the three main directions of the laminates was conducted. This study showed the existence of an optimal water content for which the mechanical properties are maximum. The emergence of a two-linear-region behaviour was pointed out and attributed to the presence of local heterogeneities within the fabric reinforcement. Creep / recovery and stress relaxation tests were exploited in order to develop a visco-elastoplastic model with consideration of the hygro-mechanical coupling. This model offers good predictive capabilities and could be used to predict the behaviour of flax fibres reinforced composite structures in humid atmospheres.

Dans ce travail de thèse, nous proposons dans une première partie l’usage de fibres de la plante marine Posidonia-Oceanica pour la fabrication de matériaux d’isolation thermique de bâtiments. Les caractérisations thermiques effectuées ont permis de mettre en évidence l’effet de la densité des fibres et de traitements chimiques. Il apparaît que ce type de fibres possède une conductivité équivalente à celle d’autres isolants courants et une capacité thermique massique plus élevée. La conductivité thermique en fonction de la masse volumique est comprise entre 0.04 et 0.07 W.m-1.K-1. La capacité thermique massique atteint environ 2500J.kg-1.K-1. Il apparaît également que l’influence du traitement chimique sur les propriétés thermiques n’est pas significative. Les résultats obtenus font de ces fibres un bon candidat pour une utilisation comme isolant thermique dans le domaine du bâtiment. Dans une seconde partie, ces fibres sont utilisées pour le renforcement d’une pâte de ciment. Une gamme de composites a été formulée pour des fractions volumiques en fibres allant de 0 à 20%. Une étude des propriétés hydriques de ces composites a été menée et complétée par des analyses par spectroscopie infrarouge à transformée de Fourier (FTIR) et des mesures des propriétés thermophysiques par la méthode du Hot-Disk durant le cycle de séchage. D’autre part, la quantification de la sensibilité de ces matériaux à l’humidité relative a été réalisée par la mesure de la variation de la teneur en eau dans les échantillons dans des environnements à humidité contrôlée. Ces mesures permettent de déterminer le coefficient de diffusion de l’eau. Celui-ci augmente légèrement avec l’augmentation du taux de fibres dans le composite. Du point de vue thermique, l’ajout de fibres améliore les propriétés isolantes des matériaux. En effet, une diminution de 22% sur la valeur de la conductivité thermique est notée avec l’introduction de 20% de fibres, par comparaison à l’échantillon de ciment témoin. L’influence sur la diffusivité thermique et sur la capacité thermique massique n’est pas significative. Du point de vue mécanique, la résistance à la traction par flexion et la compression augmentent légèrement jusqu’à 5 à 10% en volume de fibres puis diminuent. En revanche, une augmentation notable des valeurs de ténacité a été observée avec l’augmentation du dosage en fibres. Une augmentation de 65% est observée avec l’ajout de 20% de fibres. En s'appuyant sur les observations expérimentales, une modélisation analytique simplifiée a été réalisée. Celle-ci permet d'obtenir des modèles de prédiction des valeurs de la conductivité thermique, de la résistance à la traction par flexion, de la résistance à la compression et de la ténacité en fonction de la quantité de fibres dans le matériau / In this work, we have firstly studied the use of fibers extracted from the marine plant Posidonia-Oceanica as loose-fill thermal insulation material for buildings. Measurements were conducted and allowed the determination of the effect of fibers density and chemical treatments on thermal properties. Thermal conductivities were lying between 0.04 and 0.07 W.m-1.K-1, whereas the heat capacity is about 2500 J.kg-1.K-1. Thus, it was found that fibers thermal conductivity is close to the one of commonly used thermal insulation materials and that their heat capacity is significantly higher. It was also found that the influence of chemical treatment on the thermal properties is not significant. Measurement results showed that these fibers could be a promising ecological loose-fill insulation material in the construction field. Secondly, fibers were used as reinforcement for cement paste. A set of composite samples were formulated by varying fibers volume fractions from 0 to 20%. Their hygroscopic, thermal and mechanical properties were evaluated. Composites were analyzed by Fourier transform infrared spectroscopy (FTIR) and their thermophysical properties were measured with a Hot Disk thermal constants analyzer during the drying cycle. Sensitivity of these materials to relative humidity was examined by measuring the water content variation in controlled humidity environments. These measurements allowed the quantification of the water diffusion coefficient. This coefficient increased slightly with the increase of fibers content in composite samples. Concerning thermal properties, the addition of Posidonia-Oceanica fibers improved the material insulating properties. In fact, a decrease of about 22% on thermal conductivity values was found with the introduction of 20% of fibers compared to the unfilled cement paste. For Posidonia-Oceanica fibers volume fractions considered in this study (0 to 20 Vol.%), the effect of the presence of fibers on thermal diffusivity and on heat capacity is not significant, regarding the measurement uncertainties. Concerning mechanical properties, flexural and compressive strengths increased for about fiber volume fractions in the range of 5 to 10%. Moreover, a noticeable increase of toughness was observed with increasing fibers amount: for instance, an increase of about 65% was observed with the introduction of 20% of fibers in the composite. Based on the experimental observations, simplified analytical models were developed to predict thermal conductivity, flexural strength, compressive strength and toughness as a function of fibers volume fraction in the material

Zeolithgranulate sind etablierte Materialien für die Speicherung von Wärme mittels Wassersorption. Eine Erhöhung der Wärmespeicherdichte des Granulats ist durch Kombination mit hygroskopischen Salzen wie Calciumchlorid, Magnesiumchlorid oder Magnesiumsulfat möglich. In der vorliegenden Dissertation wird gezeigt, dass die Wär-mespeichereigenschaften derartiger Komposite von der Deliqueszenzluftfeuchte des Salzes, von der Salzbeladung und von der Luftfeuchte bei der Wassersorption abhängen. Liegt die Luftfeuchte unterhalb der Deliqueszenzluftfeuchte des Salzes, so nehmen Was-serbeladungshub, Wärmespeicherdichte und thermische Leistung mit steigender Salz-beladung um bis zu 71 % ab. Dies wird darauf zurückgeführt, dass Salzionen in die Mik-roporen des Zeoliths inkludiert werden und das für die Wassersorption zur Verfügung stehende Volumen verringern. Unterhalb der Deliqueszenzluftfeuchte ist das einge-brachte Salz daher thermochemisch inaktiv. Oberhalb der Deliqueszenzluftfeuchte und oberhalb einer salz- und luftfeuchteabhängigen Mindestsalzbeladung kommt es zur Ausbildung einer Salzlösung im Sekundärporensystem des Granulats. Die Absorption von Wasserdampf in der Salzlösung führt gegenüber dem salzfreien Granulat zu einer Steigerung von Wasserbeladungshub und Wärmespeicherdichte um bis zu 53 %. Dies geht jedoch einher mit einer Verringerung der thermischen Leistung um bis zu 50 %. Die Hydratation von kristallinem Salz im Granulat spielt gegenüber Salzinklusion und Ausbildung der Salzlösung nur eine untergeordnete Rolle. Die aus den experimentellen Befunden abgeleiteten Erkenntnisse konnten in ein semiempirisches mathematisches Modell überführt werden, welches den Wasserbeladungshub der Komposite quantitativ beschreibt. / Zeolite beads are established materials for the storage of heat by water sorption. An increase of the heat storage density of the beads is possible via the combination with hygroscopic salts. In this thesis it is shown, that the heat storage properties of compo-sites of this kind depend in a complex manner on the deliquescence humidity of the salt, on the salt loading, and on the humidity during water sorption. When the humidity is below the deliquescence humidity of the salt, water loading lift, heat storage density, and thermal power are reduced by up to 71 % with increasing salt content. This is at-tributed to the inclusion of salt into the micropores of the zeolite and the reduction of the volume available for the sorption of water. Thus, below the deliquescence humidity, the salt is thermochemically inactive. Above the deliquescence humidity and above a salt- and humidity-dependend minimum salt loading, a salt solution is formed in the secondary pore system of the beads. The absorption of water vapor in the salt solution gives rise to an increase of the water loading lift and of the heat storage density by up to 53 %, compared to the salt-free zeolite beads. However, this is accompanied by a reduc-tion of the thermal power output by up to 50 %. The hydration of crystalline salt in the beads is only of minor importance for the composites. The findings from the experi-mental work were transferred into a semi-empirical mathematical model, which de-scribes the water loading lift of the composites.

The study of pharmaceutical preformulation includes the evaluation of pharmacokinetic, pharmacodynamic and physicochemical properties of the drug molecules that aid the formulation. However, it has a limited role in determining drug dosage optimisation in the formulation. The study of drug-Plasma Protein Binding (PPB), and the lipophilicity, solubility, and ionic behaviours of the desired drug molecules addresses the gap and enhances our undertraining related to the behaviour of the drug molecules in the body. The High-Performance Liquid Chromatography (HPLC) technique was used in the current study to assess drug-PPB interaction. Using Michael Abraham’s ‘Linear Free Energy Relationship’ (LFER) method, two major plasma proteins namely, Human Serum Albumin as HSA and α-1-Acid Glycoprotein as AGP, were used and the structural properties governing drug-plasma protein binding was determined. This is the first time that the effect of ionised species on PPB has been quantitatively evaluated. In addition, the molecular interactions also play a key role in the supramolecular complexes of co-crystals. The project also evaluated the co-crystallisation process and its effect on physicochemical properties of the drug. In the current study, amino acids (AAs) have been observed to be a prominent source of coformers. The AAs showed co-crystals formation with carboxylic acids, nonsteroidal anti-inflammatory drug (NSAID) and citric acid which overcome the hygroscopicity problems and improved the physical stability issues during storage. This study has also identified a new formulation which is helpful for improvement in the stability of effervescent tablets at various relative humidity (RH) conditions which will reduce the manufacturing cost associated with the production of effervescent tablets.

La simulation des transferts couplés de chaleur et de masse dans l’enveloppe du bâtiment est une pratique qui se démocratise de plus en plus. Pour les bâtiments construits avec des matériaux très hygroscopiques, l'évaluation correcte des champs de température et d’humidité est importante pour prédire avec précision les flux de chaleur et d'humidité, le confort hygrothermique et la consommation énergétique des bâtiments. En outre, l'humidité peut causer des dommages aux matériaux de construction et a un impact sur la santé des occupants. Pour les matériaux très hygroscopiques, les outils de simulation ont montré des lacunes à modéliser correctement le comportement hygrothermique. Sur ces questions, le projet de recherche HYGRO-BAT est un projet fédérateur. Dans ce contexte, nous avons développé un modèle suffisamment fin de transfert couplé de Chaleur, d’Air et d’Humidité (CAH) qui permet l’analyse des principaux phénomènes physiques mis en jeu. Afin de valider le modèle développé et d’étudier en détail le comportement hygrothermique d’une paroi très hygroscopique, nous avons conçu et réalisé un outil expérimental avec une instrumentation riche et variée permettant de simuler les contraintes rencontrées dans le cas réel. Le choix des sollicitations hygrothermiques retenues permet une compréhension progressive du modèle. De surcroît, pour simplifier l’analyse des mécanismes de transfert couplés au sein de la paroi, une formulation adimensionnée du modèle développé a été proposée, permettant ainsi de mettre en avant des nombres adimensionnels qui simplifient l’analyse du comportement d’une paroi très hygroscopique. Ces nombres permettent une nouvelle caractérisation représentative des mécanismes de transfert qui dépendent de l’état thermodynamique de la paroi / Simulation of Heat, Air and Moisture (HAM) transfers in building envelope is a practice which is becoming increasingly popular. The correct evaluation of temperature and moisture fields is important to predict accurately heat and moisture fluxes, hygrothermal comfort and building energy consumption, especially for highly hygroscopic materials. Additionally, moisture has an impact on the health of occupants and can causes damage to building materials. For highly hygroscopic materials, simulation models show discrepancy to the real hygrothermal behavior. The research project HYGRO-BAT is a unifying project on these issues. In this context, we developed a hygrothermal transfer model sufficiently fine allowing the analysis of the main physical phenomena involved. In order to validate the developed model and to study in detail the coupled heat and mass transfers for highly hygroscopic walls, we designed and realized an experimental tool that allows numerous and various measurement and creating climates encountered for building application. The choice of hygrothermal loading allows progressive understanding of involved physical mechanisms in the envelope. Moreover, to simplify the analysis, a dimensionless hygrothermal formulation was proposed. It allows highlighting dimensionless numbers which are very convenient to study the behavior of a very hygroscopic wall. These numbers allow a new representative characterization of transfer mechanisms that rely on the thermodynamic state of the wall

För att skapa ett bra inomhusklimat i flerbostadshus ställs höga krav på ventilationssystemet för att ta hand om den fukt som skapas. Det finns således anledning att undersöka om Boverkets byggreglers krav för minsta luftflöde är tillräckligt ur fuktsynpunkt. Syftet är att uppmärksamma problem med ökande fukttillskott i nyproducerade flerbostadshus vilket skulle kunna förändra projekteringen av ventilation i framtiden. För att kunna undersöka om Boverkets byggreglers krav är tillräckligt ur fuktsynpunkt analyseras relativ fuktighet och fukttillskott i fyra flerbostadshus i Jönköping. Det framgår att flera lägenheter erhöll höga värden för fukttillskott och relativ fuktighet vilket kan skada byggnaden och påverka människors hälsa. Boverkets byggreglers krav för minsta luftflöde var otillräckligt ur fuktsynpunkt i flera av de undersökta flerbostadshusen. / To create a good indoor climate in apartment buildings, high demands are made on the ventilation system to take care of the moisture that is created. There is therefore reason to investigate if Boverket, the Swedish National Board of Housing, Building and Planning, requirements for minimum airflow are sufficient from a moisture point of view. The purpose is to rise awareness about increasing additional moisture in newly built apartment buildings, which could change the project planning of ventilation systems in the future. In order to investigate whether requirements of the Boverket building regulations are sufficient from a moisture point of view, relative humidity and additional moisture were analyzed in four apartment buildings in Jönköping. Several apartments received high values of additional moisture and relative humidity which could damage the building and affect human health. The requirements of Boverket building regulations for minimum airflow should therefore be reviewed.

L’évolution actuelle des exigences en termes de performance énergétique des bâtiments a fait apparaître de nouveaux enjeux et problématiques scientifiques, dont ceux liés à l’humidité. Cette étude s’appuie sur une cellule expérimentale construite sur la technologie des maisons à ossature bois et soumise aux conditions climatiques réelles de Grenoble. L’instrumentation de ce bâtiment et le suivi de l’évolution en température et en humidité dans les différentes couches de l’enveloppe permettent de définir des séquences nécessaires à la validation de modèles numériques. Dans cet objectif, un modèle existant nommé HAM-Tools a été utilisé pour simuler les transferts couplés de chaleur, d’air et d’humidité à l’échelle du bâtiment. La démarche de validation a été décomposée en plusieurs étapes, de manière à cibler des transferts spécifiques et d’en améliorer la modélisation. Ces études localisées concernent les transferts couplés de chaleur et de masse à travers les parois solides, la modélisation des transferts de chaleur à travers une lame d’air ventilée et enfin la modélisation du renouvellement de l’air intérieur en conditions naturelles. Pour estimer la précision globale du modèle, c'est-à-dire à l’échelle du bâtiment, une séquence expérimentale a été simulée en prenant en compte l’ensemble des transferts couplés simultanément. Les performances du modèle sont discutées à partir des mesures locales, c'est-à-dire dans les parois, puis globales. La bonne concordance entre mesures et résultats de simulation permet de conclure sur la validité et la généricité de la démarche mise en œuvre et les hypothèses de simulation. Plus particulièrement, il est apparu que l’outil de modélisation permet de prédire correctement le comportement moyen des parois en humidité et en température. Il est donc envisageable de l’utiliser pour simuler et estimer l’impact des constituants des parois en termes de durabilité, de performances énergétiques et de confort de l’occupant. / As energy saving is so important in buildings nowadays, envelopes performances have to be more efficient and have to deal with more obligations, such as moisture accumulation and mould growth. This study relies on an experimental wooden frame house exposed to the natural conditions of Grenoble, France. It has been widely instrumented so the wall’s temperature and humidity is monitored at different depths. As a consequence, complete dataset are available and can be used to validate numerical model. In this work, an existing numerical model named HAM-Tolls has been used to simulate the heat, air and moisture coupled transfers at the building scale. The method developed here consists in validating the numerical model step by step, with studying specific transfers separately. The first step deals with heat and mass transfers across the walls. Then, the heat transfers across a ventilated air gap and the air change rate under natural conditions have been studied much in detail. The final step of this works consists in simulating simultaneously every transfer at the building scale. This latest simulation’s results were compared both on a local and on a global point of view with the measurements. As they were found to be in good agreement, this allows concluding on the methodology efficiency, the validity of the modelling assumption and gives good hope with extending this methodology to other studies. Specifically, the simulation tool is able to predict correctly the average temperature and humidity content within the walls. Therefore, it should be suitable with estimating the wall components influence on the wall durability, its energy efficiency and its impact on the occupant’s thermal comfort.

Les modèles de chimie atmosphérique divergent fréquemment des mesures de concentrations en aérosols organiques secondaires (AOS) d'un facteur allant de 8 jusqu'à 100 parfois, et ce, dans différents environnements. Les processus de formation des AOS, encore insuffisamment compris et mal pris en compte dans les modèles ainsi que l'influence des paramètres environnementaux sur ces processus pourraient expliquer l'écart entre les concentrations d'AOS mesurées et modélisées. Dans ce contexte, ce travail se focalise en premier lieu sur la formation d'AOS dans l'ozonolyse du limonène à partir d'expériences réalisées en réacteur à écoulement (SAGE) et en chambre de simulation (LPCA). La phase particulaire a été caractérisée en termes de rendement, granulométrie, masse et seuil de nucléation des aérosols. L'influence de la présence de différents composés : butanol, toluène, acétone, acide acétique et méthylamine sur ces paramètres a été décrite et reportée ; ainsi, le rôle des intermédiaires de Criegee et des radicaux OH dans le processus de formation des AOS a été investigué. La seconde partie a consisté à étudier les AOS générés au cours de l'oxydation par les radicaux OH du 2-méthoxyphénol (guaiacol) et du 2,6-diméthoxyphénol (syringol). Les spectres IR de ces deux méthoxyphénols, des AOS issus de leur oxydation et des composés nitrés dérivés du guaiacol et du syringol ont été étudiés, expérimentalement par la spectroscopie IRTF-RTA et/ou théoriquement par des calculs DFT anharmoniques. Enfin, le caractère hygroscopique de ces aérosols a été reporté pour la première fois dans une cellule d'hydratation. / Atmospheric chemistry models frequently diverge from measurements of secondary organic aerosol (SOA) concentrations by a factor ranging from 8 to 100 in different environments. The gap between measured and modeled SOA could be explained by many formation processes that are still not well understood nor well incorporated into the models as well as the influence of environmental parameters on these processes. In this context, this research work focuses primarily on the formation of SOA in the ozonolysis of limonene through experiments carried out in a flow reactor (SAGE) and in a simulation chamber (LPCA). The particulate phase was characterized in terms of aerosol yield, size distribution, mass and nucleation threshold. The influence of the presence of different compounds : butanol, toluene, acetone, acetic acid and methylamine on these parameters has been described and reported and thus, the role of Criegee intermediates and OH radicals in SOA formation process is investigated. The second part consist of studying the SOA generated during the OH oxidation of 2-methoxyphenol (guaiacol) and 2,6-dymethoxyphenol (syringol). The IR spectra of these two methoxyphenols, the SOA formed through their oxidation and the nitro compounds derived from guaiacol and syringol have been studied experimentally by IRTF-RTA spectroscopy and/or theoretically by anharmonic DFT calculations. Finally, the hygroscopic character of these aerosols has been reported for the first time in a hydration cell.

Marine aerosols have attracted increasing attention over the past 15 years because of their potential significance for global climate modelling. The size distribution of these aerosols extends from super-micrometer sea salt mode particles down through 150 nm accumulation mode particles, 40 nm Aitken mode particles and nucleation mode particles which extend from 25 nm right down to clusters of a few molecules. The process by which the submicrometer modes form and grow and their composition have remained topics of debate throughout this time in large part because of the difficulties associated with determining their composition and relating it to proposed models of the formation process. The work compared the modality of marine aerosol influencing the South-east-Queensland region with that of other environmental aerosols in the region. The aerosol was found to be consistent with marine aerosols observed elsewhere with concentrations below 1000 cm-3 and frequently exhibiting the distinct bimodal structure associated with cloud processing, consisting of an Aitken mode at approximately 40 nm, an accumulation mode in the range 100-200 nm and a coarse mode attributed to sea salt between 600 and 1200 nm. This work included the development of two new techniques for aerosol research. The first technique measures aerosol density using a combination of aerosol size distribution and gravimetric mass concentration measurements. This technique was used to measure the density of a number of submicrometer aerosols including laboratory generated NaCl aerosol and ambient aerosol. The densities for the laboratory generated aerosols were found to be similar to those for the bulk materials used to produce them. The technique, extended to super-micrometer particle size range may find application in ambient aerosol research where it could be used to discriminate between periods when the aerosol is dominated by NaCl and periods when the density is more representative of crustal material or sulfates. The technique may also prove useful in laboratory or industrial settings for investigating particle density or in case where the composition is known, morphology and porosity. The second technique developed, integrates the existing physicochemical techniques of volatilisation and hygroscopic growth analysis to investigate particle composition in terms of both the volatilisation temperatures of the chemical constituents and their contribution to particle hygroscopic behaviour. The resulting volatilisation and humidification tandem differential mobility analyser or VH-TDMA, has proven to be a valuable research tool which is being used in ongoing research. Findings of investigations relating the composition of the submicrometer marine aerosol modes to candidate models for their formation are presented. Sea salt was not found in the numerically dominant particle type in coastal nucleation mode or marine Aitken and accumulation modes examined on the Southeast Queensland coast during periods where back trajectories indicated marine origin. The work suggests that all three submicrometer modes contain the same four volatile chemical species and an insoluble non-volatile residue. The volatility and hygroscopic behaviours of the particles are consistent with a composition consisting of a core composed of sulfuric acid, ammonium sulfate and an iodine oxide coated with a volatile organic compound. The volume fraction of the sulfuric acid like species in the particles shows a strong dependence on particle size.