@misc{SchmidtSkerencakFrechPanaketal., author = {Schmidt, Moritz and Skerencak-Frech, Andrej and Panak, Petra J. and Huittinen, Nina}, title = {Curium(III) luminescence spectroscopy as a tool for species determination}, series = {Chemical Society reviews}, journal = {Chemical Society reviews}, publisher = {Royal Society of Chemistry}, address = {London}, doi = {10.1039/d5cs00764j}, pages = {60}, abstract = {Curium is an artificial transuranic element with atomic number 96. It is typically found in its +III oxidation state, which is stabilized by a 5f7 electron configuration. CmIII exhibits intense lumi-nescence from its first excited 6D'7/2 to its 8S'7/2 ground state in the red part of the visual spec-trum. Due to the nature of the 5f electron shell, this luminescence is sensitive to changes in the chemical environment of the CmIII probe, while being detectable in the trace concentration range. This unique combination has established CmIII luminescence spectroscopy as an ideal tool for speciation studies in complex systems, particularly those relevant to the nuclear fuel cycle. In this review, we present an overview of the developments and applications of CmIII lumines-cence spectroscopy in the last 20 years since the last comprehensive review was published. The discussed studies have been categorized according to their chemical environment into reactions at the water/mineral interface, studies of solids containing CmIII, aqueous complexation studies, spectroscopy in non-aqueous systems, and interaction of CmIII with biomolecules and biota. These systems correlate in large parts with areas of application in nuclear waste disposal sci-ence, separation processes within current and proposed nuclear fuel cycles, and radioecological research. We summarize the most important findings in the studies, identify emerging trends and persistent challenges in the field of CmIII luminescence spectroscopy. Finally, we offer an outlook on potential future developments and research directions in this area.}, language = {en} } @misc{BalasUrbankKadenetal., author = {Balas, Johannes and Urbank, Christian and Kaden, Peter and Patzschke, Michael and M{\"a}rz, Juliane and Kvashnina, Kristina O. and Schmidt, Moritz and Stumpf, Thorsten and Gericke, Robert}, title = {Bonding trends in pyridine-2-thiolato complexes of tetravalent actinides}, series = {Inorganic chemistry}, volume = {64}, journal = {Inorganic chemistry}, number = {44}, publisher = {American Chemical Society}, address = {Washington, DC}, issn = {1520-510X}, doi = {10.1021/acs.inorgchem.5c03369}, pages = {21919 -- 21931}, abstract = {Complexes of tetravalent actinides (An: Th, U, Np, Pu) with the bidentate (N,S)-donor ligand pyridine-2-thiolate (2-PyS, PyS-) were synthesized in 1:4 or 1:5 ratios. This includes the first structurally characterized Np complex with (N,S)-donor ligands, filling a notable gap in An coordination chemistry. An improved synthetic approach with PyS-SiMe3 enabled efficient formation of the 1:4 complexes in THF as coordinating solvent. The compounds were comprehensively characterized in solution and in solid phase, supported by quantum chemical calculations. Experimental and theoretical results show matching trends in the binding behavior of AnIV. The covalent bond contributions in An-N and An-S bonding increase along the series of An from Th to Pu. The bonds to the soft sulfur donors consistently have the highest covalent contributions with a remarkably high percentage for Pu-S (IQA analysis: >34\%) over the harder N donors or An-O bonds of coordinating THF. High-resolution X-ray absorption and infrared spectroscopy indicate similar electronic and structural properties across AnIV complexes, while SQUID magnetometry uncovered significant differences in magnetic behavior at low temperatures depending on the complex compositions. This work advances the understanding of An-ligand bonding, emphasizing covalency and electronic structures, and expands fundamental insights into An chemistry.}, language = {en} } @techreport{SchmidtFuegenschuhBoeschow, author = {Schmidt, Johannes and F{\"u}genschuh, Armin and B{\"o}schow, Moritz}, title = {Sports league scheduling with minitournaments}, publisher = {Brandenburgische Technische Universit{\"a}t Cottbus-Senftenberg}, address = {Cottbus}, issn = {2627-4019}, doi = {10.26127/BTUOpen-7029}, pages = {15}, abstract = {In amateur or youth sports leagues, the teams play all matches during their leisure time. Thus, a schedule with a smaller number of game days is preferred and the teams are willing to partly renounce on the fairness for this by playing minitournaments instead of single matches. In this format, multiple teams meet at one of them and play against each other, reducing the number of necessary game days and required referees at the cost of unevenly distributed home field advantages. The travel times of all teams now depend on their assignment to the respective minitournaments and the choice of the home team. We present a binary linear optimization model to schedule a sports league as a double Round Robin tournament with minitournaments and most evenly distributed home field advantages, yielding a feasible league schedule with minimal total traveling distances for all teams. After adjusting orbital shrinking to break the occurring symmetries in the possible assignments, we discuss the computational efficiency and evaluate an existing schedule for the "Basketball Senioren Landesliga Brandenburg" amateur basketball league in Germany.}, language = {en} } @techreport{SchmidtGieseHeinemannetal., author = {Schmidt, Peer and Giese, Marie and Heinemann, Robert and Nawdiyal, Amruta and Knorr, Monika and Breitkopf, Cornelia and Schneegans, Marcel Felix and Pinnau, Sebastian and Lorenz, Tommy and Mickoleit, Erik and to Baben, Moritz and Keuter, Philipp and M{\"u}ller, Michael and Sergeev, Dmitry and Ewaznezhad Fard, Darya and Morsa, Amedeo and Rhys, Dominic Jacob and Yazhenskikh, Elena}, title = {PCM-Screening-2 : Evaluierung eutektischer Gemische f{\"u}r den Einsatz als PCM : thermodynamische Modellierung und experimentelle Methoden - 2}, series = {Deutsche Forschungsberichte}, journal = {Deutsche Forschungsberichte}, doi = {10.34657/28504}, pages = {182}, abstract = {Durch den Einsatz von W{\"a}rme- und K{\"a}ltespeichern in Geb{\"a}uden, Industrieanlagen und Kraftwerken k{\"o}nnen Lastschwankungen reduziert und die Anlageneffizienz verbessert werden. Latentw{\"a}rmespeicher (PCM) erm{\"o}glichen durch Ausnutzung einer fest-fl{\"u}ssig Phasenumwandlung hohe Speicherdichten bei geringen Temperaturdifferenzen. Die Verf{\"u}gbarkeit geeigneter und kosteng{\"u}nstiger PCM's ist derzeit noch eingeschr{\"a}nkt. Ein Screening geeigneter Stoffsysteme zur Bildung multin{\"a}rer Eutektika durch thermodynamische Modellierung der Phasengleichgewichte erlaubt fundierte Vorhersagen zur Zusammensetzung eutektischer Gemische, ihren Schmelztemperaturen und -enthalpien. Auf Basis der Literatur, umfangreicher experimenteller Untersuchungen und Simulationen wurde im Projekt eine im Temperaturbereich nicht eingeschr{\"a}nkte thermochemische Datenbank f{\"u}r das komplexe Stoffsystem Na+, K+, Ca2+, Mg2+ // Cl-, NO3-, SO4_2-, CO3_2- // H2O geschaffen, die eine Auswahl neuer PCM mit optimalen thermodynamischen Eigenschaften f{\"u}r spezifische Prozessanforderungen auf Basis von in Deutschland in großen Mengen verf{\"u}gbaren, preiswerten Rohstoffen erm{\"o}glicht. Weiterhin wurde ein CalPhaD-basiertes Viskosit{\"a}tsmodell, ein Screening-Verfahren inkl. Webserver und intuitive Visualisierungsm{\"o}glichkeiten hochkomponentiger Systeme entwickelt. Mittels eines Screenings erfolgte eine Vorauswahl von potentiell als PCM geeigneten Gemischen, die umfangreich charakterisiert wurden. Auf Basis der vielversprechenden Speicherdichten und der niedrigen Materialkosten wird erwartet, dass ein oder mehrere dieser identifizierten PCMs in die Anwendung als thermische Speicher gebracht werden k{\"o}nnen.}, language = {de} }