@article{LiSpangenbergSchicksetal.2022, author = {Li, Zhen and Spangenberg, Erik and Schicks, Judith Maria and Kempka, Thomas}, title = {Numerical Simulation of Coastal Sub-Permafrost Gas Hydrate Formation in the Mackenzie Delta, Canadian Arctic}, series = {Energies}, volume = {15}, journal = {Energies}, number = {14}, publisher = {MDPI}, address = {Basel}, issn = {1996-1073}, doi = {10.3390/en15144986}, pages = {25}, year = {2022}, abstract = {The Mackenzie Delta (MD) is a permafrost-bearing region along the coasts of the Canadian Arctic which exhibits high sub-permafrost gas hydrate (GH) reserves. The GH occurring at the Mallik site in the MD is dominated by thermogenic methane (CH4), which migrated from deep conventional hydrocarbon reservoirs, very likely through the present fault systems. Therefore, it is assumed that fluid flow transports dissolved CH4 upward and out of the deeper overpressurized reservoirs via the existing polygonal fault system and then forms the GH accumulations in the Kugmallit-Mackenzie Bay Sequences. We investigate the feasibility of this mechanism with a thermo-hydraulic-chemical numerical model, representing a cross section of the Mallik site. We present the first simulations that consider permafrost formation and thawing, as well as the formation of GH accumulations sourced from the upward migrating CH4-rich formation fluid. The simulation results show that temperature distribution, as well as the thickness and base of the ice-bearing permafrost are consistent with corresponding field observations. The primary driver for the spatial GH distribution is the permeability of the host sediments. Thus, the hypothesis on GH formation by dissolved CH4 originating from deeper geological reservoirs is successfully validated. Furthermore, our results demonstrate that the permafrost has been substantially heated to 0.8-1.3 degrees C, triggered by the global temperature increase of about 0.44 degrees C and further enhanced by the Arctic Amplification effect at the Mallik site from the early 1970s to the mid-2000s.}, language = {en} } @article{KirchartzMarquezStolterfohtetal.2020, author = {Kirchartz, Thomas and M{\´a}rquez, Jos{\´e} A. and Stolterfoht, Martin and Unold, Thomas}, title = {Photoluminescence-based characterization of halide perovskites for photovoltaics}, series = {Advanced Energy Materials}, volume = {10}, journal = {Advanced Energy Materials}, number = {26}, publisher = {Wiley}, address = {Weinheim}, issn = {1614-6832}, doi = {10.1002/aenm.201904134}, pages = {1 -- 21}, year = {2020}, abstract = {Photoluminescence spectroscopy is a widely applied characterization technique for semiconductor materials in general and halide perovskite solar cell materials in particular. It can give direct information on the recombination kinetics and processes as well as the internal electrochemical potential of free charge carriers in single semiconductor layers, layer stacks with transport layers, and complete solar cells. The correct evaluation and interpretation of photoluminescence requires the consideration of proper excitation conditions, calibration and application of the appropriate approximations to the rather complex theory, which includes radiative recombination, non-radiative recombination, interface recombination, charge transfer, and photon recycling. In this article, an overview is given of the theory and application to specific halide perovskite compositions, illustrating the variables that should be considered when applying photoluminescence analysis in these materials.}, language = {en} } @article{KaiserCacaceScheckWenderoth2013, author = {Kaiser, Bj{\"o}rn Onno and Cacace, Mauro and Scheck-Wenderoth, Magdalena}, title = {Quaternary channels within the Northeast German Basin and their relevance on double diffusive convective transport processes - constraints from 3-D thermohaline numerical simulations}, series = {Geochemistry, geophysics, geosystems}, volume = {14}, journal = {Geochemistry, geophysics, geosystems}, number = {8}, publisher = {American Geophysical Union}, address = {Washington}, issn = {1525-2027}, doi = {10.1002/ggge.20192}, pages = {3156 -- 3175}, year = {2013}, abstract = {The internal geological structure of the Northeast German Basin (NEGB) is affected by intense salt diapirism and by the presence of several stratified aquifer complexes of regional relevance. The shallow Quaternary to late Tertiary freshwater aquifer is separated from the underlying Mesozoic saline aquifers by an embedded Tertiary clay enriched aquitard (Rupelian Aquitard). An important feature of this aquitard is that hydraulic connections between the upper and lower aquifers do exist in areas where the Rupelian Aquitard is missing (hydrogeological windows). Three-dimensional thermohaline numerical simulations are carried out to investigate the effects of such hydrogeological windows in the Rupelian Aquitard on the resulting groundwater, temperature, and salinity distributions. Numerical results suggest that hydrogeological windows act as preferential domains of hydraulic interconnectivity between the different aquifers at depth and enable vigorous heat and mass transport which causes a mixing of warm and saline groundwater with cold and less saline groundwater within both aquifers. In areas where the Rupelian Aquitard confines the Mesozoic aquifer, dissolved solutes from major salt structures are transported laterally giving rise to plumes of variable salinity content ranging from few hundreds of meters to several tens of kilometers. Furthermore, destabilizing thermal buoyancy forces may overwhelm counteracting stabilizing salinity induced forces offside of salt domes. This may result in buoyant upward groundwater flow transporting heat and mass to shallower levels within the same Mesozoic Aquifer.}, language = {en} } @article{KaiserCacaceScheckWenderothetal.2011, author = {Kaiser, Bjoern Onno and Cacace, Mauro and Scheck-Wenderoth, Magdalena and Lewerenz, Bjoern}, title = {Characterization of main heat transport processes in the Northeast German Basin constraints from 3-D numerical models}, series = {Geochemistry, geophysics, geosystems}, volume = {12}, journal = {Geochemistry, geophysics, geosystems}, number = {13}, publisher = {American Geophysical Union}, address = {Washington}, issn = {1525-2027}, doi = {10.1029/2011GC003535}, pages = {17}, year = {2011}, abstract = {To investigate and quantify main physical heat driving processes affecting the present-day subsurface thermal field, we study a complex geological setting, the Northeast German Basin (NEGB). The internal geological structure of the NEGB is characterized by the presence of a relatively thick layer of Permian Zechstein salt (up to 5000 m), which forms many salt diapirs and pillows locally reaching nearly the surface. By means of three-dimensional numerical simulations we explore the role of heat conduction, pressure, and density driven groundwater flow as well as fluid viscosity related effects. Our results suggest that the regional temperature distribution within the basin results from interactions between regional pressure forces as driven by topographic gradients and thermal diffusion locally enhanced by thermal conductivity contrasts between the different sedimentary rocks with the highly conductive salt playing a prominent role. In contrast, buoyancy forces triggered by temperature-dependent fluid density variations are demonstrated to affect only locally the internal thermal configuration. Locations, geometry, and wavelengths of convective thermal anomalies are mainly controlled by the permeability field and thickness values of the respective geological layers.}, language = {en} }