Ce travail montre la mise en œuvre d'une technique originale pour le chauffage rapide et bien contrôlé de catalyseurs sous forme de films minces déposés sur un structurant métallique. L'utilisation d'un système à induction électromagnétique adapté à un réacteur catalytique de type annulaire nous a permis d'étudier un certain nombre de matériaux catalytiques, déposés sur acier inoxydable, dans une perspective d'oxydation totale en CO2 et H2O de composés organiques volatiles (COV) présents dans l'air. La combustion de l'isopropanol et du toluène par l'oxygène de l'air a été étudiée en utilisant différents catalyseurs déposés sous forme de films minces: 1%Pt/Al2O3, 0,3%Pt/SnO2, 1%Pt/SnO2 et 1%Pt/YSZ. Les solides ont été préparés par imprégnation des oxydes correspondants par H2PtCl6 puis ont été déposés sur le support d'acier inoxydable par électrophorèse. Les principaux paramètres relatifs au mode de chauffage ont été étudiés de même que l'influence sur la conversion des COV de différents facteurs tels que la quantité de catalyseur, le pourcentage de platine ou la nature du support oxyde employé. Les informations fournies par ce système innovant ont également été comparées pour validation à celles obtenues à l'aide d'un système classique (microréacteur en quartz à lit traversé chauffé de manière conventionnelle) pour une réaction de référence qui est l'oxydation de CO en CO2. Le système décrit dans cette étude présente d'une part un intérêt pratique pour le traitement rapide de contaminations accidentelles de l'air ambiant, mais est aussi un très bon moyen d'obtenir des paramètres cinétiques fiables dans le domaine des catalyseurs en films minces utilisés dans de nombreux réacteurs structurés / This study shows the development of an innovative technique for a fast and well-controlled heating of catalysts deposited as thin films on a metallic support. The use of an electromagnetic induction system fitted to an annular catalytic reactor enabled us to study some catalytic materials deposited on stainless steel. The target application was the abatement of volatile organic compounds (VOCs) in the air. Isopropyl alcohol and toluene combustion by the oxygen was studied on various thin films catalysts, i.e. : 1%Pt/Al2O3, 0,3%Pt/SnO2, 1%Pt/SnO2 et 1%Pt/YSZ. Solids were prepared by wet impregnation of the corresponding oxides by H2PtCl6 and were deposited on the stainless steel support using an electrophoretic deposition technique. The main parameters of the heating system were investigated as well as the influence on VOCs abatement of various parameters such as the thickness of catalyst film, the platinum amount and the nature of the oxide. For validation purpose, the data provided by this innovative system were also compared to the ones provided by a classical one (quartz plug-through microreactor heated in a conventional way) in a reference reaction which was CO oxidation into CO2. The system described in this study shows on the one hand a real practical interest for fast remediation of indoor air polluted by VOCs, and on the other hand is a very powerful tool for obtaining kinetic data about thin layer catalysts used in many structured reactors

The objective of this research is to apply micromachined silicon-based resonant gravimetric sensors to the detection of gas-phase volatile organic compounds (VOCs). This is done in two primary tasks: 1) the optimization and application of silicon disk resonators to the detection of gas-phase VOCs, and 2) the development and application of a novel gravimetric-capacitive multisensor platform for the detection of gas-phase VOCs. In the rst task, the design and fabrication of a silicon-based disk resonator structure utilizing an in-plane resonance mode is undertaken. The resonance characteristics of the disk resonator are characterized and optimized. The optimized characteristics include the resonator Q-factor as a function of geometric parameters, and the dynamic displacement of the in-plane resonance mode. The Q-factors of the disk resonators range from 2600 to 4360 at atmosphere for disk silicon thicknesses from 7 µm to 18 µm, respectively. The resonance frequency of the in-plane resonance mode ranges from 260 kHz up to 750 kHz. The disk resonators are applied to the sensing of gas-phase VOCs using (poly)isobutylene as a sensitive layer. Limits of detection for benzene, toluene and m-xylene vapors of 5.3 ppm, 1.2 ppm, and 0.6 ppm are respectively obtained. Finally, models for the limits of detection and chemical sensitivity of the resonator structures are developed for the case of the polymer layers used. In the second task, a silicon-based resonator is combined with a capacitive structure to produce a multisensor structure for the sensing of gas-phase VOCs. Fabrication of the multisensor structure is undertaken, and the sensor is theoretically modeled. The baseline capacitance of the capacitor component of the multisensor is estimated to be 170 fF. Finally, initial VOC detection results for the capacitive aspect of the sensor are obtained.

A tall tower flux measurement setup was established in metropolitan Houston, Texas, to measure trace gas fluxes from both anthropogenic and biogenic emission sources in the urban surface layer. We describe a new relaxed eddy accumulation system combined with a dual-channel gas chromatography - flame ionization detection used for volatile organic compound (VOC) flux measurements in the urban area, focusing on the results of selected anthropogenic VOCs, including benzene, toluene, ethylbenzene and xylenes (BTEX), and biogenic VOCs including isoprene and its oxidation products, methacrolein (MACR) and methyl vinyl ketone (MVK). We present diurnal variations of concentrations and fluxes of BTEX, and isoprene and its oxidation products during summer time (May 22 - July 22, 2008) and winter time (January 1 - February 28). The measured BTEX values exhibited diurnal cycles with a morning peak during weekdays related to rush-hour traffic and additional workday daytime flux maxima for toluene and xylenes in summer time. However, in winter time there was no additional workday daytime peaks due mainly to the different flux footprints between the two seasons. A comparison with different EPA National Emission Inventories (NEI) with our summer time flux data suggests potential underestimates in the NEI by a factor of 3 to 5. The mixing ratios and fluxes of isoprene, MACR and MVK were measured during the same time period in summer 2008. The presented results show that the isoprene was affected by both tail-pipe emission sources during the morning rush hours and biogenic emission sources in daytime. The observed daytime mixing ratios of isoprene were much lower than over forested areas, caused by a comparatively low density of isoprene emitters in the tower's footprint area. The average daytime isoprene flux agreed well with emission rates predicted by a temperature and light only emission model (Guenther et al., 1993). Our investigation of isoprene's oxidation products MACR and MVK showed that both anthropogenic and biogenic emission sources exist for MACR, while MVK was strongly dominated by a biogenic source, likely the isoprene oxidation between the emission and sampling points.

La contribution de l’inhalation et de la voie percutanée à l’exposition totale à des composés organiques volatils (COV) présents dans l’eau potable est une problématique qui suscite un intérêt grandissant en santé publique et au niveau réglementaire. Jusqu’à tout récemment, seule l’ingestion était considérée dans l’évaluation du risque des contaminants de l’eau. L’objectif de ce projet était de caractériser l’impact de l’exposition multivoie sur la pharmacocinétique et la dose interne de trois COV : le toluène (TOL), le n-hexane (HEX) et le cyclohexane (CYCLO). À cette fin, un modèle expérimental animal a été utilisé et un modèle toxicocinétique à base physiologique (TCBP) a été adapté pour le TOL. Des rats Sprague-Dawley ont été exposés par voies uniques (inhalation, orale et percutanée) ou simultanées (multivoie) aux solvants. Pour le TOL, les trois voies ont été expérimentées, alors que la voie percutanée n’a pas été retenue pour le HEX et le CYCLO. Des prélèvements sanguins ont permis de caractériser les cinétiques sanguines. Les niveaux sanguins, obtenus lors des expositions multivoies, étaient généralement plus élevés que la somme des niveaux associés aux expositions par voies uniques, fait illustré par le rapport des surfaces sous la courbe expérimentale versus les prédictions (TOL : 1,30 et 2,19 ; HEX : 1,55 ; CYCLO : 0,98 et 0,99). Le modèle TCBP prédit bien la cinétique du TOL lors d’expositions par voies uniques et par multivoies. Les données expérimentales obtenues suggèrent que la dose interne résultant d’une exposition multivoie ne peut pas toujours être prédite par la somme des doses internes obtenues lors d’expositions par voies uniques. Ce phénomène serait explicable par la saturation du métabolisme. La modélisation TCBP est un outil efficace pour l’estimation du risque relatif à l’exposition multivoie aux COV présents dans l’eau potable. / The contribution of dermal and inhalation routes of exposure to volatile organic chemicals (VOCs) in drinking water is increasingly drawing attention. Until recently, ingestion was the only route considered in risk assessment of drinking water contaminants. The general objective of this study was to characterize multi-route exposures on the pharmacokinetics and internal dose of three VOCs: toluene (TOL), n-hexane (HEX) and cyclohexane (CYCLO). Towards this goal, an experimental animal model was developed and a physiologically-based toxicokinetic (PBTK) model was adapted in order to take account route-specific absorption parameters of TOL. Sprague-Dawley rats were given a single dose of VOCs by oral ingestion, inhalation or dermal route. Additional groups of rat were exposed by the three routes simultaneously. In the case of HEX and CYCLO, dermal route was not considered. Blood samples were collected in order to compare kinetics following simple and multiroute exposures. Blood levels obtained following multiroute exposures were generally higher than predictions (i.e., the sum of the blood levels obtained for single route exposures) (as revealed by area under curve ratio: TOL :1,30 et 2,19; HEX : 1,55; CYCLO : 0,98 et 0,99). The PBTK model described adequately the kinetics of TOL in rats following single and multiroute exposures. The results suggest that internal dose arising from multiple routes is not necessarely comparable to the sum of the blood levels obtained for single route exposures. This phenomenon would be attributable to degree of saturation during aggregate exposures. Furthermore, the present study demonstrated that PBTK model can be used to predict/interpret blood levels associated with multiroute exposures to VOCs in drinking water, using toluene as a model substance.

This thesis describes the investigation of three aspects of the formation of secondary organic aerosol (SOA): * Aerosol formation from mixed precursors * Global modelling of SOA formation * Modelling of dynamics of SOA formation based on empirical data collected from smog chamber experiments. The formation and growth processes of secondary organic aerosol were investigated using smog chamber experimentation and modelling techniques to gain a better understanding of the application of SOA yield values in modelling both SOA mass and dynamics. Published SOA yields from a range of volatile organic compounds (VOCs) are used to model SOA mass on a local, regional or global scale, based on the assumption that the SOA yield of a mixture is the sum of the yields of the components. Experimental investigations into SOA yield from mixtures of VOC revealed potential uncertainties that would result from applying these yields to systems containing multiple VOCs. SOA formation in systems of toluene or m-xylene, compared with systems of these VOCs and propene, have shown that the introduction of propene (which has a zero SOA yield) to smog chamber photo-oxidations of toluene or m-xylene delays the formation and suppresses the overall yield of SOA from 450 to 90 µg m-3 ppm-1 for the toluene system and from 325 to 125 µg m-3 ppm-1 for the mvxylene system compared with systems of individual species without propene. The SOA partitioning yield data also indicates that partitioning of species to existing aerosol is suppressed in the mixed systems. Gas-phase modelling of these experiments showed that potential SOA species were expected to be formed sooner due to the increased system reactivity provided by propene. The observed delay in SOA nucleation, similar consumption rates of toluene and m-xylene in both the single and mixed systems and the gas-phase modelling results suggest that the addition of propene to hydrocarbon SOA systems modifies the gas-phase chemistry leading to the formation of potential SOA species from toluene and m-xylene. This result calls into question the bulk and partitioning yield values that have been published for pure substances as well as the validity of applying individual VOC yields to VOC mixture. Application of SOA yields to the global scale provides estimates of annual global SOA formation, global contributions from various VOCs and regional SOA distributions. Two SOA modules, using bulk and partitioning yield methods, were added to a global atmospheric chemical transport model, MOZART-2. The bulk yield method, representing the maximum possible global SOA burden, gave an annual production of 24.5 Tg of SOA, which is slightly lower than previous estimates (30 - 270 Tg yr-1). The partitioning method, which gives a more realistic estimate of SOA formation, produced 15.3 Tg yr-1; the biogenic fraction (13.6 Tg yr-1) compares to a previous estimate of biogenic SOA of 18.5 Tg yr-1 and 2.5 to 44 Tg yr- 1 using the partitioning method. Anthropogenic SOA contributions of 1.1 Tg yr-1 from MOZART-2 compared to recent estimates of 0.05 -2.62 Tg yr-1. SOA production was found to be dependent on oxidant availability and VOC emissions in South America and Asia. The partitioning method produced significantly less SOA due to limited availability of OC. Thepartitioning method also produced a peak SOA concentration of 10 µg m-3 over South America in September and showed that SOA is at maximum production for most of the year in Asia and Europe. The two SOA formation methods also provides data to analyse the restrictions to SOA formation in particular regions, based on the maximum amount of SOA able to form (bulk yield method) and the more realistic partitioning estimate from the same region. Limitations to SOA formation in a particular region can be attributed to deficiencies in OC availability or VOC oxidant concentrations. Comparisons to limited observational and modelled data suggest that the MOZART-2 SOA model provides a good representation of global averaged SOA. SOA mass concentrations, predicted by models such as MOZART-2, can be used in part to model the dynamics of an SOA population (e.g. size of particles, number concentrations etc.). Aerosol properties such as size and number concentration can then be used to estimate their effect on climate and health. The explicit representation of the processes that affect aerosol dynamics, such as nucleation, condensation, evaporation and coagulation can be complex and use significant computational resources. Simplification of the discrete coagulation equation and empirical coagulation coefficients for continuum and non-continuum regime diffusion kinetics provided a simplified method of coagulation capable of predicting the evolution of inert sodium chloride aerosol in chamber experiments. A variable coagulation coefficient (linked to the mean particle number concentration of each experiment) was developed. This method is an empirical surrogate for the standard coefficient corrections applied to Brownian based diffusion in the continuum regime to account for the different kinetic effects within the transition and free molecular diffusion regimes. This method removes the need for calculating individual coefficients for each particle interaction. Estimates of modeluncertainty show that within uncertainty limits the model provides a good representation of experimental data. Correlation and index of agreement (IOA) calculations revealed good statistical agreement between modelled and experimental. Some experiments showed degrees of coagulation under prediction using the variable coefficient technique. Investigations into the effect of aerosol type and size, temperature and humidity may be necessary to refine the variable coefficient calculation technique. The model showed little sensitivity to model time step and is capable of high resolution representation of the aerosol. Mass concentration is conserved within the model whereas some error due to numerical diffusion within the number concentrations results from the bin sectioning technique used. The simplicity of this sectioning method over other methods and the minimal effect of numerical diffusion establishes a simplified method of modelling relative to the high resolution of the aerosol distribution the model achieves. It is suggested that the efficiency improvements introduced by the approaches used in developing this model provide an efficient ultra-fine coagulation modelling for atmospheric models. A semi-empirical model for SOA dynamics (SPLAT) incorporating coagulation, nucleation, condensation and evaporation was developed. The aim of the model and the development process was to predict, with high resolution and minimal computational expense, the formation and growth of SOA given a SOA mass input as a function of time. The average size distribution profile from chamber experimental data was used as part of the nucleation module. This technique provided an alternative method of representing the particle distribution compared to those models that assume a single diameter of nucleated particle or a fixed log-normal mode for the entire evolution of SOA. All SPLAT simulations assume organic nucleation events within the experiments modelled, although it is stilluncertain whether they occur in the atmosphere. The modelled nucleation events have produced a single nucleation burst, a result of immediate domination of condensation as soon as nucleation occurs. This deficiency is likely to be a result of the assumption of free molecular diffusion for condensation. The rate of condensation, calculated at every time step, is based on the aerosol size distributed surface area and the particle-size-dependent saturation mass concentrations. The SPLAT coagulation module was a version of the model developed in Chapter 6. Comparisons between experimental and modelled data showed good agreement. These comparisons revealed the shortcomings in the nucleation module while a statistical analysis of the modelled and experimental data has shown SPLAT to be effective in modelling a range of SOA systems. The complexity introduced in modelling aerosol dynamics in high resolution is offset in SPLAT by efficiency improvements due to the insensitivity of the model to time step size and simplified methods of bin sectioning, nucleation, coagulation, condensation and evaporation. Published SOA yields can be applied to predict SOA mass at local, regional or global scales. Although previously unreported uncertainties in these yields have been shown to exist, the MOZART-2 global chemical transport model has shown that SOA mass concentration can be predicted with reasonable quality, considering the scale of the model and limited observational data. These global scale SOA mass predictions can be used purely for global burden and occurrence, or as the input for modelling the dynamics of an aerosol population, which is significant for estimating an aerosol population's effect on climate change and health. SOA mass concentrations from chamber experiments were used as input to a SOA dynamics model. This model (SPLAT) then predicted the evolution of particle number concentrations and size within these experiments based on this mass input. Application of the dynamics model to the output of the MOZART-2 model could then provide a comprehensive global scale SOA modelling package.

Volatile organic compounds (VOCs) in air and heavy metal ions, anions, microorganism in water are environmental contaminants that require detection at certain low concentrations to avoid detrimental effects. Analytical instruments can accurately determine the concentration and composition of the contaminants at trace levels. However, these methods require skilled personnel to operate. Hence sensors should have fast response, low maintenance and easy to handle. In the present work, environmental monitoring sensor for volatile organic compounds, anion and E. coli was developed. The sensor is resistive sensor architecture with organic nanocomposite as sensing layer. The conjugated organic molecule with receptor moieties that can interact and exhibit affinity to each of the analyte was designed and synthesized. A new conducting polymer for sensing toluene, aldehyde is designed and fabricated. The sensor shows highest sensitivity and selectivity for targeted analyte. The sensor response is explained by molecular dynamics simulation. The solubility parameter of the new polymers is calculated by molecular dynamics and is used for elucidation of rationale of the mechanism for selectivity. The interaction energy of the sensing layer calculated by simulation is higher for targeted analyte than that for other analytes. The adsorption of vapors on the sensing layer results in volumetric change of the sensing layer. The effect can be experimentally determined by monitoring the thickness of the film and the change in the parameters such as mass change, capacitance, resistance change, refractive index change that occurs due to absorption of vapors in the polymers. Here, laser Doppler vibrometry, a non contact method is used to measure the displacement occurring due to interaction of a new polymer film with analyte vapors. A sensor for real time monitoring of nitrate ion concentration in water is fabricated. A new conjugated polymer is designed for selection of nitrate is used as a sensing molecule. The sensor is tested for various concentrations of nitrate ions and possible interferents effect. An organic nanocomposite based resistive sensor is designed and fabricated to detect E. coli in water. The organic molecule with receptor groups was selected such that receptor group would interact and exhibit affinity to the functional groups present on outer membrane of the cell wall of the E. coli. The resistance change is caused due to interaction and is because of E. coli acting as p-dopant to sensor molecule. The electrostatic interaction between positively charged amine groups on sensor molecule and negatively charged E. coli is believed to be the interaction mechanism. This work demonstrates that the conjugated molecules with suitable moieties can bind with analyte like VOCs, heavy metal ions, anions, microorganism, that can be used as sensing element in resistive sensor architecture.

La pollution atmosphérique urbaine pose des problèmes au niveau de l'environnement et de la santé publique pour plus de la moitié de la population mondiale. Afin de réduire la pollution de fond dans les villes, un matériau cimentaire innovant a été développé et permet de dégrader les polluants atmosphériques grâce à ses propriétés photocatalytiques induites par l'ajout de TiO2. Ce travail a porté sur la corrélation entre les propriétés physico-chimiques et l'efficacité photocatalytique d'un mortier enrichi en TiO2 lors de la dégradation de 2 composés organiques volatils (COV), le formaldéhyde et le toluène ainsi que sur un mélange d'oxydes d'azote (NOx). Le taux de présence de la surface en dioxyde de titane, le pourcentage relatif de titane et l'absorbance des photons UV par TiO2 ont été respectivement déterminés par spectroscopie Raman, microscopie électronique à balayage couplé à une analyse X et spectroscopie UV-visible par réflexion diffuse. La proportionnalité entre ces 3 grandeurs a été démontrée. L'efficacité photocatalytique des matériaux cimentaires enrichis en TiO2 a été mise en évidence pour la dégradation des 2 COV et des NOx. L'efficacité photocatalytique est reliée à la présence de TiO2 en surface ainsi qu'à la capacité de TiO2 à absorber des photons UV. La matrice cimentaire permet également, à l'obscurité, de réduire significativement la concentration en formaldéhyde. L'étude de l'influence des paramètres matériaux et environnementaux a montré l'importance de la teneur en TiO2, du flux lumineux et de l'humidité relative sur les propriétés photocatalytiques du mortier et permis de contribuer à une meilleure compréhension des réactions intervenant lors de la dégradation des polluants par un matériau cimentaire photocatalytique / More than half of the world population is exposed to urban air pollution which poses problems for the environment and human health. To reduce the background of the pollution in cities, an innovative cementitious material has been developed and used to degrade pollutants thanks to its photocatalytic properties induced by the addition of TiO2. This work was focused on the correlation between physicochemical properties and the photocatalytic efficiency of a mortar enriched with TiO2 during the degradation of two volatile organic compounds (VOCs), formaldehyde and toluene as well as a mixture of nitrogen oxides (NOx). The occurence rate of of titanium dioxide on the surface, the relative percentage of titanium and the absorptance of UV photons by TiO2, respectively, were determined by Raman spectroscopy, scanning electron microscopy coupled with X-ray analysis and UV-visible diffuse refectance spectroscopy. Proportionality between these three variables has been demonstrated. The photocatalytic efficiency of TiO2-rich cementitious materials has been demonstrated for the degradation of the 2 VOCs and also for NOx. The photocatalytic efficiency is related to the presence of TiO2 on the surface and the ability of TiO2 to absorb UV photons. The cement matrix can also, in the dark, reduced significantly the concentration of formaldehyde. The study of the influence of materials and environmental parameters showed the importance of the TiO2 content, the luminous flux and relative humidity on the photocatalytic properties of the mortar and allowed to contribute to a better understanding of the reactions occurring during the degradation of pollutants by a photocatalytic cementitious material

Dans le cadre du projet DISPATMO (étude de la prévision des risques de pollution liés à la dispersion atmosphérique de produits chimiques), des études de risques liés aux incendies et explosions dus aux produits chimiques stockés sur deux sites tests ont été menées. Le but est d’identifier les produits de combustion de certains composés cibles définis au début du projet, ainsi que d’estimer leur concentration. Les composés tests sont l’éthanol, le 2-butanone, le toluène et le solvant TIFLEX. Ces composés sont susceptibles, surtout à richesse élevées, de former des quantités non-négligeables d’isomères du butène, composés chimiques connus pour être d’importants intermédiaires de la combustion d’hydrocarbures. Après une étude bibliographique sur les isomères du butène, de l’éthanol, de la 2-butanone et du toluène, un mécanisme cinétique détaillé pour simuler l’oxydation de ces composés a été proposé. Une étude expérimentale de l’oxydation de 4 butènes (1-butène, trans-2-butène, cis-2-butène et iso-butène) a été réalisée en réacteur auto-agité (T = 900-1440 K, p = 1 atm, = 0,25, 0,5, 1 et 2, = 70 ms) et en chambre de combustion sphérique (Ti = 300 K, pi = 1, 2, 3 et 5 atm, = 0,8-1,4). Les résultats obtenus ont été confrontés à la simulation. Des données expérimentales issues de la littérature ont été utilisées afin de valider le modèle pour l’oxydation de l’éthanol, de la 2-butanone, du toluène et des isomères du butène. Enfin, une étude expérimentale de l’oxydation du solvant TIFLEX a été menée en réacteur auto-agité (T = 740-1310 K, p = 1 atm, = 0,5, 1 et 2) pour en connaître la composition ainsi que pour identifier et quantifier les produits d’oxydation. Le mécanisme cinétique proposé comporte un coeur C0-C4 robuste, en faisant un outil prédictif fiable, pouvant servir de base à des mécanismes plus étendus capables de représenter la combustion de nombreuses autres espèces (alcanes, alcènes, alcools, aldéhydes ou cétones), par ajout de sous-mécanismes. / In the context of the DISPATMO project (study of the forecast of the risks of pollution related to the atmospheric dispersal of chemicals), risk studies linked to the fires and the explosions due to chemical storage were conducted. The purpose is to identify the combustion products of certain target compounds defined at the beginning of the project, as well as to estimate their concentration. The target compounds include ethanol, 2-butanone, toluene and the solvent TIFLEX. These compounds lead, especially in fuel-rich conditions, to the formation of high quantities of butene isomers, compounds known as important intermediates of hydrocarbon combustion. After a bibliographical study on butene isomers, ethanol, 2- butanone and toluene, a detailed kinetic mechanism for the simulation of the oxidation of these compounds was proposed. An experimental study of the oxidation of the butene isomers was performed in a jet-stirred reactor (T = 900-1440 K, p = 1 atm, = 0.25, 0.5, 1 and 2, = 70 ms) and in a spherical combustion chamber (Ti = 300 K, pi = 1, 2, 3 and 5 atm, = 0.8-1.4). Experimental results were compared with their simulations. Experimental data from the literature were used to validate the model for the oxidation of ethanol, 2-butanone, toluene and butene isomers. Finally, an experimental study of the oxidation of the solvent TIFLEX was performed in the jet-stirred reactor (T = 740-1310 K, p = 1 atm, = 0.5, 1 and 2) in order to know the composition as well as to identify and quantify of the oxidation products. The proposed kinetic mechanism contains a strong C0-C4 base, resulting in a reliable predictive tool, which can be used as a base in larger mechanisms simulating the combustion other species (alkanes, alkenes, alcohols, aldehydes or ketones), by addition of sub-mechanisms.

Student Number: 9503012G Master of Science. School of Geography, Archaeology and Environmental Studies / A brown haze which builds-up over Cape Town under calm and cold weather conditions causes public concern. The brown haze is thought to be due to the gaseous and particulate emissions from the city, industries, traffic and townships in the Cape Town region. Volatile organic carbon (VOCs) compounds are an important component of the haze layer particularly because of their reactivity. VOCs play an important role in the carbon budget and radiation balance, regional oxidant balance, and in the distribution of ozone and other reactive gases, both at the regional and global scale. In this study the variation in ambient VOC concentrations during brown and non-brown haze days over Cape Town during July and August 2003 were characterised. Ambient air samples were collected in evacuated stainless steel canistes from the South African Weather Service (SAWS) research aircraft (Aerocommander, ZS-JRB) and later analysed by gas chromotography equipped with a flame ionisation detector (GC-FID). Benzene, toluene, ethylbenzene and xylene (BTEX) were the specific VOCs targeted for this study. Comparable meteorology data was also collected to determine the effects of wind field and atmospheric stability on BTEX concentrations.

The production of packaging goods for cement is one of the most important industries, contributing to income of many workers. Production activities, however, cause air pollution and health risk. The study was conducted to assess air quality and health risks of workers through air quality data and interviewing employees from 2016-2017 at a packaging production factory, Can Tho city, Vietnam. The findings indicated that temperature and noise exceeded the national technical regulations (QCVN 22-26: 2016/TT-BYT) while the humidity, wind speed, light, respirable particles, toxic gases (benzene, toluene, methyl ethyl ketone (MEK)) were in accordance with the national standards for occupational health and safety (Decision 3733/2002/QĐ-BYT). However, health risk assessment showed that long-term exposure in this factory would result in severe impact on health of workers due to indoor air pollution. The non-cancer risk caused by benzene, toluene and MEK for workers in the working sections such as printing, film coating, weaving, spinning and pasting was expected to cause serious impact on workers’ health. The cancer risk (benzene) index was in the range of 1.3 x 10-5 to 7.7 x 10-4 and averaged at 3.3 x 10-4. The study clearly showed that benzene greatly contributes to serious workers’ health effects. Appropriate protection measures such as treatment of air pollutants, regular health check, wearing protective clothes should be implemented to mitigate impact of indoor air pollution at the factory. More importantly, it is necessary to reconsider the standard values of benzene, toluene, methyl ethyl ketone to ensure health of workers. / Công nghiệp sản xuất bao bì xi măng thuộc lĩnh vực ngành xây dựng là một trong những ngành công nghiệp quan trọng, đã góp phần mang lại nguồn thu nhập cho nhiều người lao động. Tuy nhiên hoạt động sản xuất cũng gây ra những vấn đề về ô nhiễm môi trường không khí và rủi ro sức khỏe. Nghiên cứu được thực hiện nhằm đánh giá mức độ ô nhiễm môi trường không khí và đánh giá rủi ro sức khỏe của công nhân thông qua số liệu chất lượng môi trường không khí và phỏng vấn trực tiếp người lao động trong khoảng thời gian từ 2016 - 2017. Kết quả nghiên cứu cho thấy nhiệt độ, tiếng ồn vượt qui chuẩn cho phép (QCVN 22-26:2016/TT-BYT) trong khi độ ẩm, tốc độ gió, ánh sáng, bụi hô hấp, hơi khí độc (Benzen, toluen, methyl ethyl ketone) đạt chuẩn cho phép theo tiêu chuẩn vệ sinh an toàn lao động (QĐ 3733/2002/QĐ-BYT). Tuy nhiên, kết quả đánh giá rủi ro sức khỏe cho thấy công nhân làm việc lâu dài sẽ bị ảnh hưởng nghiêm trọng đến sức khỏe do ô nhiễm không khí. Rủi ro không gây ung thư do benzene, toluene và MEK gây ra đối với công nhân ở từng khu vực có thể gây ảnh hưởng nghiêm trọng đến sức khỏe công nhân làm việc ở các khu vực sản xuất như in, tráng màng, dệt, kéo sợi và dán. Benzene gây rủi ro ung thư với xác suất từ 1 đến 7 người trong 10.000 người trong quá trình làm việc lâu dài tại nhà máy. Nghiên cứu cho thấy benzene đóng góp rất lớn vào khả năng gây ảnh hưởng nghiêm trọng đến sức khỏe công nhân. Môi trường không khí bên trong nhà máy cần được cải thiện hơn nữa đồng thời tuyên truyền nâng cao ý thức công nhân thực hiện nghiêm túc bảo hộ lao động, tổ chức khám sức khỏe định kỳ cho công nhân. Quan trọng hơn là cần điều chỉnh lại các giá trị qui chuẩn để đảm bảo an toàn sức khỏe cho công nhân đang làm việc tại những nơi có sự hiện diện của khí độc như benzene, toluen, methyl ethyl ketone.