@phdthesis{Codeco2019, author = {Codeco, Marta Sofia Ferreira}, title = {Constraining the hydrology at Minas da Panasqueira W-Sn-Cu deposit, Portugal}, doi = {10.25932/publishup-42975}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-429752}, school = {Universit{\"a}t Potsdam}, pages = {xxviii, 232}, year = {2019}, abstract = {This dissertation combines field and geochemical observations and analyses with numerical modeling to understand the formation of vein-hosted Sn-W ore in the Panasqueira deposit of Portugal, which is among the ten largest worldwide. The deposit is located above a granite body that is altered by magmatic-hydrothermal fluids in its upper part (greisen). These fluids are thought to be the source of metals, but that was still under debate. The goal of this study is to determine the composition and temperature of hydrothermal fluids at Panasqueira, and with that information to construct a numerical model of the hydrothermal system. The focus is on analysis of the minerals tourmaline and white mica, which formed during mineralization and are widespread throughout the deposit. Tourmaline occurs mainly in alteration zones around mineralized veins and is less abundant in the vein margins. White mica is more widespread. It is abundant in vein margins as well as alteration zones, and also occurs in the granite greisen. The laboratory work involved in-situ microanalysis of major- and trace elements in tourmaline and white mica, and boron-isotope analysis in both minerals by secondary ion mass spectrometry (SIMS). The boron-isotope composition of tourmaline and white mica suggests a magmatic source. Comparison of hydrothermally-altered and unaltered rocks from drill cores shows that the ore metals (W, Sn, Cu, and Zn) and As, F, Li, Rb, and Cs were introduced during the alteration. Most of these elements are also enriched in tourmaline and mica, which confirms their potential value as exploration guides to Sn-W ores elsewhere. The thermal evolution of the hydrothermal system was estimated by B-isotope exchange thermometry and the Ti-in-quartz method. Both methods yielded similar temperatures for the early hydrothermal phase: 430° to 460°C for B-isotopes and 503° ± 24°C for Ti-in-quartz. Mineral pairs from a late fault zone yield significantly lower median temperatures of 250°C. The combined results of thermometry with variations in chemical and B-isotope composition of tourmaline and mica suggest that a similar magmatic-hydrothermal fluid was active at all stages of mineralization. Mineralization in the late stage shows the same B-isotope composition as in the main stage despite a ca. 250°C cooling, which supports a multiple injection model of magmatic-hydrothermal fluids. Two-dimensional numerical simulations of convection in a multiphase NaCl hydrothermal system were conducted: (a) in order to test a new approach (lower dimensional elements) for flow through fractures and faults and (b) in order to identify conditions for horizontal fluid flow as observed in the flat-lying veins at Panasqueira. The results show that fluid flow over an intrusion (heat and fluid source) develops a horizontal component if there is sufficient fracture connectivity. Late, steep fault zones have been identified in the deposit area, which locally contain low-temperature Zn-Pb mineralization. The model results confirm that the presence of subvertical faults with enhanced permeability play a crucial role in the ascent of magmatic fluids to the surface and the recharge of meteoric waters. Finally, our model results suggest that recharge of meteoric fluids and mixing processes may be important at later stages, while flow of magmatic fluids dominate the early stages of the hydrothermal fluid circulation.}, language = {en} } @phdthesis{Jappsen2005, author = {Jappsen, Anne-Katharina}, title = {Present and early star formation : a study on rotational and thermal properties}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-7591}, school = {Universit{\"a}t Potsdam}, year = {2005}, abstract = {We investigate the rotational and thermal properties of star-forming molecular clouds using hydrodynamic simulations. Stars form from molecular cloud cores by gravoturbulent fragmentation. Understanding the angular momentum and the thermal evolution of cloud cores thus plays a fundamental role in completing the theoretical picture of star formation. This is true not only for current star formation as observed in regions like the Orion nebula or the ρ-Ophiuchi molecular cloud but also for the formation of stars of the first or second generation in the universe. In this thesis we show how the angular momentum of prestellar and protostellar cores evolves and compare our results with observed quantities. The specific angular momentum of prestellar cores in our models agree remarkably well with observations of cloud cores. Some prestellar cores go into collapse to build up stars and stellar systems. The resulting protostellar objects have specific angular momenta that fall into the range of observed binaries. We find that collapse induced by gravoturbulent fragmentation is accompanied by a substantial loss of specific angular momentum. This eases the "angular momentum problem" in star formation even in the absence of magnetic fields. The distribution of stellar masses at birth (the initial mass function, IMF) is another aspect that any theory of star formation must explain. We focus on the influence of the thermodynamic properties of star-forming gas and address this issue by studying the effects of a piecewise polytropic equation of state on the formation of stellar clusters. We increase the polytropic exponent γ from a value below unity to a value above unity at a certain critical density. The change of the thermodynamic state at the critical density selects a characteristic mass scale for fragmentation, which we relate to the peak of the IMF observed in the solar neighborhood. Our investigation generally supports the idea that the distribution of stellar masses depends mainly on the thermodynamic state of the gas. A common assumption is that the chemical evolution of the star-forming gas can be decoupled from its dynamical evolution, with the former never affecting the latter. Although justified in some circumstances, this assumption is not true in every case. In particular, in low-metallicity gas the timescales for reaching the chemical equilibrium are comparable or larger than the dynamical timescales. In this thesis we take a first approach to combine a chemical network with a hydrodynamical code in order to study the influence of low levels of metal enrichment on the cooling and collapse of ionized gas in small protogalactic halos. Our initial conditions represent protogalaxies forming within a fossil HII region -- a previously ionized HII region which has not yet had time to cool and recombine. We show that in these regions, H2 is the dominant and most effective coolant, and that it is the amount of H2 formed that controls whether or not the gas can collapse and form stars. For metallicities Z <= 10-3 Zsun, metal line cooling alters the density and temperature evolution of the gas by less than 1\% compared to the metal-free case at densities below 1 cm-3 and temperatures above 2000 K. We also find that an external ultraviolet background delays or suppresses the cooling and collapse of the gas regardless of whether it is metal-enriched or not. Finally, we study the dependence of this process on redshift and mass of the dark matter halo.}, subject = {Sternentstehung}, language = {en} } @misc{KuehnKempkadeLuciaetal.2017, author = {K{\"u}hn, Michael and Kempka, Thomas and de Lucia, Marco and Scheck-Wenderoth, Magdalena}, title = {Dissolved CO2 storage in geological formations with low pressure, low risk and large capacities}, series = {Energy procedia}, volume = {114}, journal = {Energy procedia}, publisher = {Elsevier}, address = {Amsterdam}, issn = {1876-6102}, doi = {10.1016/j.egypro.2017.03.1607}, pages = {4722 -- 4727}, year = {2017}, abstract = {Geological CO2 storage is a mitigation technology to reduce CO2 emissions from fossil fuel combustion. However, major concerns are the pressure increase and saltwater displacement in the mainly targeted deep groundwater aquifers due to injection of supercritical CO2. The suggested solution is storage of CO2 exclusively in the dissolved state. In our exemplary regional case study of the North East German Basin based on a highly resolved temperature and pressure distribution model and a newly developed reactive transport coupling, we have quantified that 4.7 Gt of CO2 can be stored in solution compared to 1.5 Gt in the supercritical state.}, language = {en} } @phdthesis{Li2023, author = {Li, Zhen}, title = {Formation of Sub-Permafrost Methane Hydrate Reproduced by Numerical Modeling}, doi = {10.25932/publishup-60330}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-603302}, school = {Universit{\"a}t Potsdam}, pages = {XII, 109}, year = {2023}, abstract = {Natural gas hydrates are ice-like crystalline compounds containing water cavities that trap natural gas molecules like methane (CH4), which is a potent greenhouse gas with high energy density. The Mallik site at the Mackenzie Delta in the Canadian Arctic contains a large volume of technically recoverable CH4 hydrate beneath the base of the permafrost. Understanding how the sub-permafrost hydrate is distributed can aid in searching for the ideal locations for deploying CH4 production wells to develop the hydrate as a cleaner alternative to crude oil or coal. Globally, atmospheric warming driving permafrost thaw results in sub-permafrost hydrate dissociation, releasing CH4 into the atmosphere to intensify global warming. It is therefore crucial to evaluate the potential risk of hydrate dissociation due to permafrost degradation. To quantitatively predict hydrate distribution and volume in complex sub-permafrost environments, a numerical framework was developed to simulate sub-permafrost hydrate formation by coupling the equilibrium CH4-hydrate formation approach with a fluid flow and transport simulator (TRANSPORTSE). In addition, integrating the equations of state describing ice melting and forming with TRANSPORTSE enabled this framework to simulate the permafrost evolution during the sub-permafrost hydrate formation. A modified sub-permafrost hydrate formation mechanism for the Mallik site is presented in this study. According to this mechanism, the CH4-rich fluids have been vertically transported since the Late Pleistocene from deep overpressurized zones via geologic fault networks to form the observed hydrate deposits in the Kugmallit-Mackenzie Bay Sequences. The established numerical framework was verified by a benchmark of hydrate formation via dissolved methane. Model calibration was performed based on laboratory data measured during a multi-stage hydrate formation experiment undertaken in the LArge scale Reservoir Simulator (LARS). As the temporal and spatial evolution of simulated and observed hydrate saturation matched well, the LARS model was therefore validated. This laboratory-scale model was then upscaled to a field-scale 2D model generated from a seismic transect across the Mallik site. The simulation confirmed the feasibility of the introduced sub-permafrost hydrate formation mechanism by demonstrating consistency with field observations. The 2D model was extended to the first 3D model of the Mallik site by using well-logs and seismic profiles, to investigate the geologic controls on the spatial hydrate distribution. An assessment of this simulation revealed the hydraulic contribution of each geological element, including relevant fault networks and sedimentary sequences. Based on the simulation results, the observed heterogeneous distribution of sub-permafrost hydrate resulted from the combined factors of the source-gas generation rate, subsurface temperature, and the permeability of geologic elements. Analysis of the results revealed that the Mallik permafrost was heated by 0.8-1.3 °C, induced by the global temperature increase of 0.44 °C and accelerated by Arctic amplification from the early 1970s to the mid-2000s. This study presents a numerical framework that can be applied to study the formation of the permafrost-hydrate system from laboratory to field scales, across timescales ranging from hours to millions of years. Overall, these simulations deepen the knowledge about the dominant factors controlling the spatial hydrate distribution in sub-permafrost environments with heterogeneous geologic elements. The framework can support improving the design of hydrate formation experiments and provide valuable contributions to future industrial hydrate exploration and exploitation activities.}, language = {en} } @article{LiSpangenbergSchicksetal.2022, author = {Li, Zhen and Spangenberg, Erik and Schicks, Judith Maria and Kempka, Thomas}, title = {Numerical simulation of hydrate formation in the LArge-Scale Reservoir Simulator (LARS)}, series = {Energies : open-access journal of related scientific research, technology development and studies in policy and management}, volume = {15}, journal = {Energies : open-access journal of related scientific research, technology development and studies in policy and management}, number = {6}, publisher = {MDPI}, address = {Basel}, issn = {1996-1073}, doi = {10.3390/en15061974}, pages = {27}, year = {2022}, abstract = {The LArge-scale Reservoir Simulator (LARS) has been previously developed to study hydrate dissociation in hydrate-bearing systems under in-situ conditions. In the present study, a numerical framework of equations of state describing hydrate formation at equilibrium conditions has been elaborated and integrated with a numerical flow and transport simulator to investigate a multi-stage hydrate formation experiment undertaken in LARS. A verification of the implemented modeling framework has been carried out by benchmarking it against another established numerical code. Three-dimensional (3D) model calibration has been performed based on laboratory data available from temperature sensors, fluid sampling, and electrical resistivity tomography. The simulation results demonstrate that temperature profiles, spatial hydrate distribution, and bulk hydrate saturation are consistent with the observations. Furthermore, our numerical framework can be applied to calibrate geophysical measurements, optimize post-processing workflows for monitoring data, improve the design of hydrate formation experiments, and investigate the temporal evolution of sub-permafrost methane hydrate reservoirs.}, language = {en} } @phdthesis{Otto2017, author = {Otto, Christopher}, title = {Numerical analysis of thermal, hydraulic and mechanical processes in the near- and far-field of underground coal gasification reactors}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-404625}, school = {Universit{\"a}t Potsdam}, pages = {XII, 115}, year = {2017}, abstract = {Die Untertagevergasung von Kohle (UTV) erm{\"o}glicht die Erschließung konventionell nicht f{\"o}rderbarer Kohleressourcen und bietet dadurch Potenzial zur Erh{\"o}hung der weltweiten Kohlereserven. Bei der in-situ Kohleumwandlung entsteht ein hochkalorisches Synthesegas, das elektrifiziert oder zur Gewinnung chemischer Rohstoffe und synthetischer Kraftstoffe eingesetzt werden kann. Neben den wirtschaftlichen M{\"o}glichkeiten, bestehen jedoch auch standort-spezifische Umweltgef{\"a}hrdungspotentiale durch Subsidenz und Schadstoffmigration von UTV-R{\"u}ckst{\"a}nden in nutzbare Grundwasserleiter. Eine nachhaltige und effiziente UTV erfordert ein umfangreiches Verst{\"a}ndnis der thermisch, hydraulisch und mechanisch gekoppelten Prozesse im UTV-Reaktornahbereich. Aufgrund der hohen Investitionskosten von UTV-Pilotanlagen, sind numerische Simulationen gekoppelter Prozesse von entscheidender Bedeutung f{\"u}r die Bewertung m{\"o}glicher UTV-Umweltauswirkungen. Im Rahmen dieser Arbeit wird die UTV-induzierte Permeabilit{\"a}tsver{\"a}nderung, Erzeugung m{\"o}glicher hydraulischer Kurzschl{\"u}sse benachbarter Reaktoren und Dynamik nicht-isothermer Multiphasenfl{\"u}sse mit gekoppelten Simulationen analysiert. Die Simulationsergebnisse zeigen, dass eine Implementierung temperaturabh{\"a}ngiger thermo-mechanischer Gesteinsparameter nur f{\"u}r Untersuchungen von Permeabilit{\"a}ts-{\"a}nderungen im Reaktornachbereich notwendig ist. Die Ergebnisse erlauben somit eine recheneffiziente Realisierung von komplexen thermo-mechanisch gekoppelten Simulations-studien regionalskaliger Modelle mit konstanten Gesteinsparametern, bei nahezu gleichbleibender Ergebnisgenauigkeit, die zur Bewertung von UTV-Umweltgef{\"a}hrdungs-potenzialen beitragen. Simulationen zur Ausbildung hydraulischer Kurzschl{\"u}sse zwischen einzelnen UTV-Reaktoren auf regionaler Skala, verdeutlichen die Relevanz von geologischen St{\"o}rungen an einem UTV-Standort, da diese durch Reaktivierung hydraulische Verbindungen induzieren und somit einen effizienten und nachhaltigen UTV-Betrieb negativ beeintr{\"a}chtigen k{\"o}nnen. In diesem Zusammenhang kommt der Ausbildung einer Wasserdampfphase, der sogenannte „steam jacket", im Hochtemperaturnahbereich von UTV-Reaktoren, als potenzielle Barriere zur Vermeidung von UTV-Schadstoffaustritten und zur potenziellen Minimierung von Energieverlusten eine entscheidende Bedeutung zu. Diese steam jackets entstehen durch evaporiertes Formationswasser und sind komplexe nicht-isotherme Multiphasenfluss-Ph{\"a}nomene. F{\"u}r ein verbessertes Prozessverst{\"a}ndnis dieser Multiphasenfl{\"u}sse, wurde ein neuartiges Modellkonzept entwickelt, welches, validiert gegen Feldversuchsdaten, erstmals sowohl eine Quantifizierung als auch Prognose von Wasserflussraten in und aus einem UTV-Reaktor erlaubt. Die Ergebnisse der vorgelegten Doktorarbeit bilden eine wichtige Grundlage f{\"u}r eine erfolgreiche Integration gekoppelter thermo-hydro-mechanischer Simulationen in weiterf{\"u}hrende Studien. Vor dem Hintergrund hoher UTV-Umweltgef{\"a}hrdungspotentiale, k{\"o}nnen diese zur verbesserten Bewertung und Minderung von UTV-Umweltauswirkungen beitragen, sowie die UTV-Effizienz nachhaltig optimieren.}, language = {en} } @article{WetzelKempkaKuehn2018, author = {Wetzel, Maria and Kempka, Thomas and K{\"u}hn, Michael}, title = {Quantifying rock weakening due to decreasing calcite mineral content by numerical simulations}, series = {Materials}, volume = {11}, journal = {Materials}, number = {4}, publisher = {MDPI}, address = {Basel}, issn = {1996-1944}, doi = {10.3390/ma11040542}, pages = {19}, year = {2018}, abstract = {The quantification of changes in geomechanical properties due to chemical reactions is of paramount importance for geological subsurface utilisation, since mineral dissolution generally reduces rock stiffness. In the present study, the effective elastic moduli of two digital rock samples, the Fontainebleau and Bentheim sandstones, are numerically determined based on micro-CT images. Reduction in rock stiffness due to the dissolution of 10\% calcite cement by volume out of the pore network is quantified for three synthetic spatial calcite distributions (coating, partial filling and random) using representative sub-cubes derived from the digital rock samples. Due to the reduced calcite content, bulk and shear moduli decrease by 34\% and 38\% in maximum, respectively. Total porosity is clearly the dominant parameter, while spatial calcite distribution has a minor impact, except for a randomly chosen cement distribution within the pore network. Moreover, applying an initial stiffness reduced by 47\% for the calcite cement results only in a slightly weaker mechanical behaviour. Using the quantitative approach introduced here substantially improves the accuracy of predictions in elastic rock properties compared to general analytical methods, and further enables quantification of uncertainties related to spatial variations in porosity and mineral distribution.}, language = {en} } @misc{WetzelKempkaKuehn2018, author = {Wetzel, Maria and Kempka, Thomas and K{\"u}hn, Michael}, title = {Quantifying rock weakening due to decreasing calcite mineral content by numerical simulations}, series = {Postprints der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe}, journal = {Postprints der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe}, number = {1092}, issn = {1866-8372}, doi = {10.25932/publishup-47308}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-473089}, pages = {21}, year = {2018}, abstract = {The quantification of changes in geomechanical properties due to chemical reactions is of paramount importance for geological subsurface utilisation, since mineral dissolution generally reduces rock stiffness. In the present study, the effective elastic moduli of two digital rock samples, the Fontainebleau and Bentheim sandstones, are numerically determined based on micro-CT images. Reduction in rock stiffness due to the dissolution of 10\% calcite cement by volume out of the pore network is quantified for three synthetic spatial calcite distributions (coating, partial filling and random) using representative sub-cubes derived from the digital rock samples. Due to the reduced calcite content, bulk and shear moduli decrease by 34\% and 38\% in maximum, respectively. Total porosity is clearly the dominant parameter, while spatial calcite distribution has a minor impact, except for a randomly chosen cement distribution within the pore network. Moreover, applying an initial stiffness reduced by 47\% for the calcite cement results only in a slightly weaker mechanical behaviour. Using the quantitative approach introduced here substantially improves the accuracy of predictions in elastic rock properties compared to general analytical methods, and further enables quantification of uncertainties related to spatial variations in porosity and mineral distribution.}, language = {en} }