Der frühwinterliche Ozongehalt ist ein Indikator für den Ozongehalt im Spätwinter/Frühjahr. Jedoch weist dieser aufgrund von Absinkprozessen, chemisch bedingten Ozonabbau und Wellenaktivität von Jahr zu Jahr starke Schwankungen auf. Die vorliegende Arbeit zeigt, dass diese Variabilität weitestgehend auf dynamische Prozesse während der Wirbelbildungsphase des arktischen Polarwirbels zurückgeht. Ferner wird der bisher noch ausstehende Zusammenhang zwischen dem früh- und spätwinterlichen Ozongehalt bezüglich Dynamik und Chemie aufgezeigt. Für die Untersuchung des Zusammenhangs zwischen der im Polarwirbel eingeschlossenen Luftmassenzusammensetzung und Ozonmenge wurden Beobachtungsdaten von Satellitenmessinstrumenten und Ozonsonden sowie Modellsimulationen des Lagrangschen Chemie/Transportmodells ATLAS verwandt. Die über die Fläche (45–75°N) und Zeit (August-November) gemittelte Vertikalkomponente des Eliassen-Palm-Flussvektors durch die 100hPa-Fläche zeigt eine Verbindung zwischen der frühwinterlichen wirbelinneren Luftmassenzusammensetzung und der Wirbelbildungsphase auf. Diese ist jedoch nur für die untere Stratosphäre gültig, da die Vertikalkomponente die sich innerhalb der Stratosphäre ändernden Wellenausbreitungsbedingungen nicht erfasst. Für eine verbesserte Höhendarstellung des Signals wurde eine neue integrale auf der Wellenamplitude und dem Charney-Drazin-Kriterium basierende Größe definiert. Diese neue Größe verbindet die Wellenaktivität während der Wirbelbildungsphase sowohl mit der Luftmassenzusammensetzung im Polarwirbel als auch mit der Ozonverteilung über die Breite. Eine verstärkte Wellenaktivität führt zu mehr Luft aus niedrigeren ozonreichen Breiten im Polarwirbel. Aber im Herbst und Frühwinter zerstören chemische Prozesse, die das Ozon ins Gleichgewicht bringen, die interannuale wirbelinnere Ozonvariablität, die durch dynamische Prozesse während der arktischen Polarwirbelbildungsphase hervorgerufen wird. Eine Analyse in Hinblick auf den Fortbestand einer dynamisch induzierten Ozonanomalie bis in den Mittwinter ermöglicht eine Abschätzung des Einflusses dieser dynamischen Prozesse auf den arktischen Ozongehalt. Zu diesem Zweck wurden für den Winter 1999–2000 Modellläufe mit dem Lagrangesche Chemie/Transportmodell ATLAS gerechnet, die detaillierte Informationen über den Erhalt der künstlichen Ozonvariabilität hinsichtlich Zeit, Höhe und Breite liefern. Zusammengefasst, besteht die dynamisch induzierte Ozonvariabilität während der Wirbelbildungsphase länger im Inneren als im Äußeren des Polarwirbels und verliert oberhalb von 750K potentieller Temperatur ihre signifikante Wirkung auf die mittwinterliche Ozonvariabilität. In darunterliegenden Höhenbereichen ist der Anteil an der ursprünglichen Störung groß, bis zu 90% auf der 450K. Innerhalb dieses Höhenbereiches üben die dynamischen Prozesse während der Wirbelbildungsphase einen entscheidenden Einfluss auf den Ozongehalt im Mittwinter aus. / The ozone amount in early winter provides an indication of the ozone amount in late winter/early spring. The early winter amount is highly variable from year to year due to modification by subsidence, chemical loss and wave activity. This thesis shows that this variability is mainly caused by the dynamics during the Arctic polar vortex formation. Furthermore, it explains the still missing link between early and late winter ozone amount due to dynamics and chemistry. Observational ozone data from satellite based instruments, ozone probes and simulations are used for the investigation of the connection between the composition of the air and the ozone enclosed in the polar vortex. The simulations are calculated with the Lagrangian chemistry/transport model ATLAS. The over area (45–75°N) and time (August-November) averaged vertical component of the Eliassen-Palm flux at 100hPa points to a link between the early winter composition of the air enclosed in the polar vortex and the vortex formation phase. This is only valid for the lower stratosphere, because the component does not satisfy changing conditions for wave propagation throughout the stratosphere by itself. Due to this deficit a new integral quantity based on wave amplitude and properties of the Charney-Drazin criterion is defined to achieve an improvement with height. This new quantity connects the wave activity during vortex formation to the composition of air inside the vortex as well as the distribution of ozone over latitude. An enhanced wave activity leads to a higher proportion of ozone rich air from lower latitudes inside the polar vortex. But chemistry in autumn and early winter removes the interannual variability in the amount of ozone enclosed in the vortex induced by dynamical processes during the formation phase of the Artic polar vortex because ozone relaxes towards equilibrium. An estimation of how relevant these variable dynamical processes are for the Arctic winter ozone abundances is obtained by analysing which fraction of dynamically induced anomalies in ozone persists until mid winter. Model runs with the Lagrangian Chemistry-Transport-Model ATLAS for the winter 1999–2000 are used to assess the fate of ozone anomalies artificially introduced during the vortex formation phase. These runs provide detailed information about the persistence of the induced ozone variability over time, height and latitude. Overall, dynamically induced ozone variability from the vortex formation phase survives longer inside the polar vortex compared to outside and can not significantly contribute to mid-winter variability at levels above 750K potential temperature level. At lower levels increasingly larger fractions of the initial perturbation survive, reaching 90% at 450K potential temperature level. In this vertical range dynamical processes during the vortex formation phase are crucial for the ozone abundance in mid-winter.

Ozone (O3) and particulate matter (PM) existing in the atmosphere have adverse effects to human and environment. Southeast Texas experiences high O3 and PM events due to special meteorological conditions and high emission rates of volatile organic compounds (VOCs) and nitrogen oxides (NOx). Quantitative knowledge of the contributions of different emissions sources to O3 and PM is helpful to better understand their formation mechanisms and develop effective control strategies. Tagged reactive tracer techniques are developed and coupled into two chemical transport models (UCD/CIT model and CMAQ) to conduct source apportionment of O3, primary PM, secondary inorganic PM, and secondary organic aerosol (SOA) and aging distribution of elemental carbon (EC) and organic carbon (OC). Ozone (O3) and particulate matter (PM) existing in the atmosphere have adverse effects to human and environment. Southeast Texas experiences high O3 and PM events due to special meteorological conditions and high emission rates of volatile organic compounds (VOCs) and nitrogen oxides (NOx). Quantitative knowledge of the contributions of different emissions sources to O3 and PM is helpful to better understand their formation mechanisms and develop effective control strategies. Tagged reactive tracer techniques are developed and coupled into two chemical transport models (UCD/CIT model and CMAQ) to conduct source apportionment of O3, primary PM, secondary inorganic PM, and secondary organic aerosol (SOA) and aging distribution of elemental carbon (EC) and organic carbon (OC). Models successfully reproduce the concentrations of gas phase and PM phase species. Vehicles, natural gas, industries, and coal combustion are important O3 sources. Upwind sources have non-negligible influences (20-50%) on daytime O3, indicating that regional NOx emission controls are necessary to reduce O3 in Southeast Texas. EC is mainly from diesel engines while majority of primary OC is from internal combustion engines and industrial sources. Open burning, road dust, internal combustion engines and industries are the major sources of primary PM2.5. Wildfire dominates primary PM near fire locations. Over 80% of sulfate is produced in upwind areas and coal combustion contributes most. Ammonium ion is mainly from agriculture sources. The SOA peak values can be better predicted when the emissions are adjusted by a factor of 2. 20% of the total SOA is due to anthropogenic sources. Solvent and gasoline engines are the major sources. Oligomers from biogenic SOA account for 30-58% of the total SOA, indicating that long range transport is important. PAHs from anthropogenic sources can produce 4% of total anthropogenic SOA. Wild fire, vehicles, solvent and industries are the major sources. EC and OC emitted within 0-3 hours contribute approximately 70-90% in urban Houston and about 20-40% in rural areas. Significant diurnal variations in the relative contributions to EC are predicted. Fresh particles concentrations are high at morning and early evening. The concentrations of EC and OC that spend more than 9 hours in the air are low over land but almost accounts for 100% of the total EC and OC over the ocean.

The research focus is on the various modeling aspects of flow and sediment transport in water bodies and watersheds. The interaction of flow with a mobile bed involves a complex process in which various turbulent scales characterized by coherent structures cause a chaotic sediment motion. In many rivers and natural waterways secondary flows that are dominating flow struc-tures bring about more complications. In estuaries and open waterbodies thermal stratification and internal mixing control the flow structure besides the flow interaction with the mobile bed. To adequately model these processes 3D coupled flow and transport models are needed. The research is based on use and adaptation of open source codes for 3D hydrodynamic and sediment transport model known as Estuarine Coastal Ocean Model (ECOMSED) and the Soil and Water Assessment Tool (SWAT) model. A bed load transport model was developed and coupled to ECOMSED. The flow and sediment transport characteristics in a curved channel and a river reach were successfully captured by the model. Improvements in ECOMSED were made to study the effect of wind and basin bathymetry on mixing and flow exchange between two estuaries. Using spectral analysis the hydrological component of SWAT model was investigated for its applicability under limited data conditions in three Ethiopian catchments. / QC 20100827

Snow and ice can significantly affect the environmental fate of contaminants. This thesis presents a laboratory technique for measuring mercury in metamorphosing snow, and a computer model for organic contaminants in a seasonally ice covered ocean. The laboratory method to study the fate of mercury in snow was developed using laboratory-made snow of controlled composition made in a cold room, aged and melted, with mercury quantified in air, snow, and dissolved and particulate fractions of the melt water. It was found that the method gave a mass balance for mercury, and can be used to look at mercury fate in snow representative of different environments. The fugacity based fate and transport model for organic contaminants in a seasonally ice-covered ocean was parameterized to Barrow Strait, and tested against environmentally derived net air to sea water fluxes. It was found that the model could reproduce these environmental data.

Snow and ice can significantly affect the environmental fate of contaminants. This thesis presents a laboratory technique for measuring mercury in metamorphosing snow, and a computer model for organic contaminants in a seasonally ice covered ocean. The laboratory method to study the fate of mercury in snow was developed using laboratory-made snow of controlled composition made in a cold room, aged and melted, with mercury quantified in air, snow, and dissolved and particulate fractions of the melt water. It was found that the method gave a mass balance for mercury, and can be used to look at mercury fate in snow representative of different environments. The fugacity based fate and transport model for organic contaminants in a seasonally ice-covered ocean was parameterized to Barrow Strait, and tested against environmentally derived net air to sea water fluxes. It was found that the model could reproduce these environmental data.

The stability of railway embankment is essential for safe transport. In order to ensure safe transport, water should be allowed to freely drain. Furthermore, as the engine driver has to be able to see signs, and people working on the embankment are supposed to easily see flaws on the rails to ensure safety for the passing trains, plants should not be allowed to grow on the embankment. In Sweden there are 12 000 kilometers of railway tracks and 25–30 % of them are treated for weed control every year. The Swedish Transport Administration is currently using the pesticide “Roundup Bio” to remove weeds on the embankment. To prevent the dispersal of chemicals to sensitive ecosystems, chemical transport has to be investigated carefully. In this master thesis a transport model for the transport of pesticides has been simulated using the software “GoldSim”. The model have been developed, optimized and controlled by a sensitivity analysis. In addition to this an analysis of worst case scenarios has been tested. The pesticides “Arsenal 250” with the active substance imazapyr and “Roundup Bio” with the active substance glyphosate have been used in the calibrating of the model. The transport model for imazapyr shows a good estimation of the mass of herbicides in the embankment compared to measurements. There is also a good estimation in the groundwater even if the concentration at the beginning of the simulation period is underestimated. The simulation with glyphosate, on the on the other hand, showed very small quantities of both glyphosate and its degradation product AMPA (aminometylphosphateacid) in both the embankment and in the groundwater. The sensitivity test showed that the parameter half-life and Kd-value (adsorption capacity) were the most sensitive parameters in the model. When it comes to the concentration in the groundwater the distance to the groundwater level was the most sensitive parameter, as well as the Kd-value in the embankment, the half-life and the precipitation. As expected, the worst-case analysis showed that a small distance to the groundwater level, a low Kd-value and a short half-life produced even larger concentrations of herbicides in the groundwater. In conclusion it should be mentioned that the stimulation model generally works well in regards to with imazapyr. For stimulation of glyphosate and its metabolite AMPA more work with the model is required for the Swedish Transport Administration to apply it in the future.

A hybrid surface/subsurface flow and transport model is developed that blends distributed parameter models with simpler lumped parameter models. The hybrid model solves the channel flow and saturated groundwater flow domains in continuous time using fully distributed physically-based formulations. This system is supplemented with the overland flow and unsaturated groundwater flow that uses lumped parameter descriptions in discrete time. In the proposed model, a one-dimensional channel flow model is dynamically coupled with a two-dimensional vertically-averaged groundwater flow model along the river bed. As an alternative to the commonly applied iterative solution technique, a so-called simultaneous solution procedure is developed to provide a better understanding to the coupled flow problem. This new methodology is based on the principle of solving the two flow domains within a single matrix structure in a simultaneous manner. In addition to the flow model, a coupled contaminant transport model is also developed to simulate the migration of contaminants between surface and subsurface domains. The contaminant transport model dynamically couples a one-dimensional channel transport model with a two-dimensional vertically-averaged groundwater transport model. The coupling is performed at the river bed interface via advective and dispersive transport mechanisms. A modified extension of the proposed simultaneous solution procedure is also implemented to solve the coupled contaminant transport problem. The dynamic coupling provides the much needed understanding for the continuity of contaminants in strongly interacting surface/subsurface systems such as a river and an unconfined aquifer. The coupled flow and transport models are applied to the lower Altamaha watershed in southern Georgia. The flow model is used to perform simulations of hydrologic and hydraulic conditions along the river and in the dynamically linked surfacial aquifer. The model predicted the flood patterns including the magnitude of peaks and their arrival times with accuracy. Under the given flow conditions, the transport model is then implemented to test alternative contaminant transport patterns both in the river and within the aquifer. It has been found that the channel network would serve as a conduit for rapid transport of contaminants within the aquifer to large distances in small time frames.

No description available.

The objective of this thesis is to evaluate the sources of the differences between the NO2 satellite retrieval products provided by the Royal Dutch Meteorological Institute (KNMI) and the National Aeronautics and Space Administration (NASA). Ground studies have shown that although both products use the same satellite, these products yield different observations for NO2 tropospheric columns concentrations. This study does not validate either retrieval product, but rather indentifies the main sources for the discrepancy. There are several parameters which allow successful retrieval of NO2 vertical columns. For this study, only the difference between the radiative models and the a priori NO2 chemical transport models were considered relevant. All other parameters, such as cloud properties, slant columns, stratospheric serration and their assumptions, were held constant. Here, the models are referred to by their proprietor's acronym: "TOMRAD" refers to the radiative model used by NASA, "DAK" refers to the radiative model used by KNMI, "TM4" refers to the a priori chemical transport model used by KNMI, and "REAM" refers to the a priori chemical transport model maintained by the School of Earth and Atmospheric Sciences at the Georgia Institute of Technology. Mixing these parameters creates four retrievals for comparison. Many significant differences were identified after comparing these four retrievals. First, there are viewing geometry biases between the port side and the starboard side of the satellite retrieval for each swath. These viewing geometry biases lead to artificial periodicities in the retrievals of NO2 tropospheric vertical columns over a specific coordinate or site, such as a city. Furthermore, there were significant differences found after using different a priori NO2 chemical transport models. The low horizontal resolution of TM4 and the satellite retrieval/TM4 coupling effect compared to REAM leads to considerable questioning of the near real time application of the KNMI NO2 retrieval product. Though the TM4 model performs poorly, TM4 retrievals do perform nearly as well as REAM retrievals at capturing day-to-day variability and the spatial variability of the cities used as examples here. The retrievals using TOMRAD outperformed the retrievals using DAK when compared to the high resolution, hourly REAM a priori chemical transport model. In sum, these findings should lead to better optimizations of both the KNMI and NASA retrievals, and thus make their publicly available data products more reliable and accurate for general use.

<p>The fully integrated 3-D, time dependant, hydrodynamic and sediment transport numerical model ECOMSED was used to simulate flow and sediment transport in rivers. ECOMSED was originally developed for large water bodies such as lakes and oceans and solves the primitive equations of RANS along with a second order turbulence model in an orthogonal curvilinear σ- coordinate system. The availability of the model as an open FORTRAN source code made modifications and addition of new models possible. A new bed load transport model was implemented in the code as well as improvements in treatment of river roughness parameterization, bed form effects, and automatic update of flow depth due to bed evolution. The model was applied to 1- km long reach of the River Klarälven, Sweden, where it bifurcates into two west and east channels. The water surface and the flow division in the channels were made in agreement with field data by spatially varying the roughness. However, the spatial distribution of the bed shear stress was not realistic. Improvements were made in the bottom boundary condition to represent the variable effects of bed forms on roughness depending on the flow regime and the flow depth. The improved model realistically reproduced the flow field as well as the sediment transport processes in the river Klarälven.</p>