TY - JOUR A1 - Fricke, F. A1 - Mahmood, S. A1 - Hoffmann, J. A1 - Brandalero, M. A1 - Liehr, Sascha A1 - Kern, Simon A1 - Meyer, Klas A1 - Kowarik, S. A1 - Westerdick, S. A1 - Maiwald, Michael A1 - Hübner, M. T1 - Artificial Intelligence for Mass Spectrometry and Nuclear Magnetic Resonance Spectroscopy N2 - Mass Spectrometry (MS) and Nuclear Magnetic Resonance Spectroscopy (NMR) are critical components of every industrial chemical process as they provide information on the concentrations of individual compounds and by-products. These processes are carried out manually and by a specialist, which takes a substantial amount of time and prevents their utilization for real-time closed-loop process control. This paper presents recent advances from two projects that use Artificial Neural Networks (ANNs) to address the challenges of automation and performance-efficient realizations of MS and NMR. In the first part, a complete toolchain has been developed to develop simulated spectra and train ANNs to identify compounds in MS. In the second part, a limited number of experimental NMR spectra have been augmented by simulated spectra to train an ANN with better prediction performance and speed than state-of-theart analysis. These results suggest that, in the context of the digital transformation of the process industry, we are now on the threshold of a possible strongly simplified use of MS and MRS and the accompanying data evaluation by machine-supported procedures, and can utilize both methods much wider for reaction and process monitoring or quality control. T2 - 2021 Design, Automation & Test in Europe Conference & Exhibition (DATE) CY - Grenoble, France DA - 01.02.2021 KW - Industry 4.0, KW - Cyber-physical systems KW - Artificial neural networks KW - Mass spectrometry KW - Nuclear magnetic resonance spectroscopy PY - 2021 DO - https://doi.org/10.23919/DATE51398.2021.9473958 SP - 615 EP - 620 PB - IEEE AN - OPUS4-55360 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Bekemeier, Simon A1 - Caldeira Rêgo, C. R. A1 - Mai, H. L. A1 - Sikia, Ujjal A1 - Waseda, O. A1 - Apel, M. A1 - Arendt, F. A1 - Aschemann, A. A1 - Bayerlein, Bernd A1 - Courant, R. A1 - Dziwis, G. A1 - Fuchs, F. A1 - Giese, U. A1 - Junghanns, K. A1 - Kamal, M. A1 - Koschmieder, L. A1 - Leineweber, S. A1 - Luger, M. A1 - Lukas, M. A1 - Maas, J. A1 - Mertens, J. A1 - Mieller, Björn A1 - Overmeyer, L. A1 - Pirch, N. A1 - Reimann, J. A1 - Schröck, S. A1 - Schulze, P. A1 - Schuster, J. A1 - Seidel, A. A1 - Shchyglo, O. A1 - Sierka, M. A1 - Silze, F. A1 - Stier, S. A1 - Tegeler, M. A1 - Unger, Jörg F. A1 - Weber, M. A1 - Hickel, Tilmann A1 - Schaarschmidt, J. T1 - Advancing Digital Transformation in Material Science: The Role of Workflows Within the MaterialDigital Initiative N2 - The MaterialDigital initiative represents a major driver toward the digitalization of material science. Next to providing a prototypical infrastructure required for building a shared data space and working on semantic interoperability of data, a core focus area of the Platform MaterialDigital (PMD) is the utilization of workflows to encapsulate data processing and simulation steps in accordance with findable, accessible, interoperable, and reusable principles. In collaboration with the funded projects of the initiative, the workflow working group strives to establish shared standards, enhancing the interoperability and reusability of scientific data processing steps. Central to this effort is the Workflow Store, a pivotal tool for disseminating workflows with the community, facilitating the exchange and replication of scientific methodologies. This article discusses the inherent challenges of adapting workflow concepts, providing the perspective on developing and using workflows in the respective domain of the various funded projects. Additionally, it introduces the Workflow Store’s role within the initiative and outlines a future roadmap for the PMD workflow group, aiming to further refine and expand the role of scientific workflows as a means to advance digital transformation and foster collaborative research within material science. KW - Digitalisation KW - FAIR principles KW - MaterialDigital KW - Scientific workflows KW - Semantic interoperability PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-624088 DO - https://doi.org/10.1002/adem.202402149 SN - 1527-2648 IS - 2402149 SP - 1 EP - 25 PB - Wiley-VCH GmbH AN - OPUS4-62408 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schmitt, R. A1 - Koerfer, F. A1 - Sadowny, O. A1 - Zimmermann, J. A1 - Krüger-Sehm, R. A1 - Xu, M. A1 - Dziomba, T. A1 - Koenders, L. A1 - Goch, G. A1 - Tausendfreund, A. A1 - Patzelt, S. A1 - Simon, S. A1 - Rockstroh, L. A1 - Bellon, Carsten A1 - Staude, Andreas A1 - Woias, P. A1 - Goldschmidtböing, F. A1 - Rabold, M. T1 - Virtuelle Messgeräte - Definition und Stand der Entwicklung N2 - Die Mikro- und Nanotechnologie gehört zu den Schlüsseltechnologien des 21. Jahrhunderts mit hohen Wachstumsprognosen, wie auch die im Auftrag des BMBF durchgeführte Studie “Nanotechnologie als wirtschaftlicher Wachstumsmarkt” von 2004 ausführlich darstellt. Aus diesem Trend resultiert ein steigender Bedarf an Messsystemen, die Nanostrukturen prozessnah bzw. im Fertigungsprozess charakterisieren können. Virtuelle Messgeräte liefern Erkenntnisse zur Entwicklung neuartiger Messsysteme, Analyse und Optimierung bestehender Verfahren sowie die Bestimmung der Messunsicherheit und modellbasierten Korrektur systematischer Fehler. Der virtuelle Messprozess umfasst neben dem Messmittel auch die Probe und die Wechselwirkungen zwischen beiden. In diesem Beitrag werden virtuelle Messgeräte vorgestellt sowie deren Anwendung diskutiert. N2 - Micro- and nanotechnology experienced a high economic growth in recent years. This yields in a growing demand for measuring instruments which are closely linked to the production process. Virtual measuring instruments provide knowledge for the development of new systems, the analysis and optimization of established devices as well as the determination of the uncertainty in measurement. The virtual measuring process consists of the measuring instrument, the sample, and the interaction between both. In this article examples of current developments of virtual instruments are presented and their way of utilization is discussed. KW - Virtuelle Messtechnik KW - Simulation KW - Messunsicherheit KW - Virtual metrology KW - Measurement uncertainty PY - 2008 DO - https://doi.org/10.1524/teme.2008.0872 SN - 0340-837X SN - 0178-2312 SN - 0171-8096 VL - 75 IS - 5 SP - 298 EP - 310 PB - Oldenbourg CY - München AN - OPUS4-17569 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - RPRT A1 - Antoni, S. A1 - Clemens, J. A1 - Kunath, K. A1 - Rabe, J. A1 - Simon, K. A1 - Uhlig, S. A1 - Wehrstedt, Klaus-Dieter T1 - Evaluation of the 3rd round robin on solid oxidizer test (UN O.1) with calcium peroxide, sodium nitrate, sodium perborate monohydrate N2 - The classification of solid oxidizers according to the regulations on the transport of dangerous goods (based on the UN Recommendations/Model Regulations and accepted by all international organisations for the transport of dangerous goods as ADR, IMO, IATA) and in future also according to the GHS (Globally Harmonized System of Classification and Labelling of Chemicals) is performed on the basis of the results of the UN test O.1 (UN test O.1 ―Test for oxidizing solids‖ described in chapter 34.4.1 in the Recommendations on the Transport of Dangerous Goods – Manual of Tests and Criteria, see [1]). This test was introduced into the UN Manual of Tests and Criteria in 1995 as a replacement for a similar test from 1986. Even if the UN O.1 test as described in the current 5th revised edition of UN Manual of Tests and Criteria gives some improvements compared to the old test, which had had many deficiencies, there are still some problems left with this test in terms of e.g. repeatability or reproducibility of test results, how to handle compacted or multilayer formulations like tablets, toxicity and partly significantly varying particle size distribution within defined fractions of 150 μm to 300 μm of the reference oxidizer potassium bromate (KBrO3). For this reason the IGUS EOS working group installed an ad-hoc working group in 2002 assigned with the task to propose solutions for the existing problems. The appropriateness of such proposed solutions has to be proved by the method of interlaboratory (round robin) tests before they are presented for the adoption to the UN Committee of Experts on the TDG and on the GHS with a proposal of a completely revised test procedure. KW - Round robin KW - Solid oxidizer test KW - United Nations KW - IGUS KW - EOS KW - Calcium peroxide KW - Sodium nitrate KW - Sodium perborate monohydrate PY - 2011 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-232246 SN - 978-3-9813853-7-3 IS - Final Report, 2009 - 2011 SP - 1 EP - 192 PB - Bundesanstalt für Materialforschung und -prüfung (BAM) CY - Berlin AN - OPUS4-23224 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - RPRT A1 - Antoni, S. A1 - Kunath, K. A1 - Lüth, Peter A1 - Simon, K. A1 - Uhlig, S. T1 - Evaluation of the interlaboratory test on the method UN O.2 / EC A.21 'Test for oxidizing liquids' 2009 - 2010 N2 - For the classification of chemicals, special standardized test procedures have been developed and are used world-wide. Safe handling and use of these chemicals depend on the correct classification which therefore must be based on the precise and correct execution of the tests and their evaluation. In this context interlaboratory tests (round robin tests, interlaboratory comparisons / intercomparisons) are a crucial element of a laboratory's quality system. Participation in interlaboratory tests is explicitly recommended by the standard ISO/IEC 17025. The present document reports on the results of the interlaboratory test 2009/2010 on the test methods UN O.2 “Test for oxidizing liquids” [1] / EC A.21 “Oxidizing Properties (Liquids)” [2] which was organized by the Center for Quality Assurance for Testing of Dangerous Goods and Hazardous Substances. The test methods UN O.2 and EC A.21 are applied to characterize the oxidizing properties of liquid chemical substances or mixtures. To differentiate between chemicals with hazardous / dangerous oxidizing properties and chemicals which are not classified as hazardous / dangerous, the substance’s oxidizing properties are compared to those of a standard reference substance. Since the methods (UN O.2 / EC A.21) were developed and came into force in the early nineties a systematic review concerning the practical application of the test method has not been carried out. KW - Oxidiser KW - Oxidierend KW - Gefahrgut KW - Dangerous goods KW - UN O.2 KW - Prüfmethode KW - Test method PY - 2011 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-250904 SN - 978-3-9814634-0-8 SP - 1 EP - 95 PB - Bundesanstalt für Materialforschung und -prüfung (BAM) CY - Berlin ET - Final report AN - OPUS4-25090 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - RPRT A1 - Antoni, S. A1 - Kunath, K. A1 - Lüth, Peter A1 - Schlage, R. A1 - Simon, K. A1 - Uhlig, S. A1 - Wildner, W. A1 - Zimmermann, C. T1 - Evaluation of the interlaboratory test on the method UN test O.1 'Test for oxidizing solids' with sodium perborate monohydrate 2005 / 06 N2 - The classification of solid oxidizers according to the GHS (Globally Harmonized System of Classifica-tion and Labelling of Chemicals) and according to regulations on the transport of dangerous goods (based on the UN Recommendations/Model Regulations and implemented in all carrier domains as transport by road, railway, sea, air) is performed on the basis of the results of the UN test O.1 (―Test for oxidizing solids‖ described in chapter 34.4.1 in the Recommendations on the Transport of Danger-ous Goods, Manual of Tests and Criteria, Fifth revised edition, United Nations, New York and Geneva, 2009). This test was introduced into the UN Test Manual in 1995 as a replacement for a similar test from 1986. Even though the O.1 test is much better than the previous one there are still many prob-lems with this test. For this reason the IGUS-EOS working group (international group of experts on the explosion risks of unstable substances – working group: energetic and oxidizing substances) installed an ad-hoc working group in 2002 assigned with the task of proposing solutions for the existing prob-lems. The adequacy of such proposals has to be proven preferably by interlaboratory comparison (interlaboratory test) before they are presented to the UN Sub Committee for adoption into the UN Test Manual. The present report is the evaluation of an interlaboratory test which was designed by the Ad-hoc working group in order to find out whether the current method of comparing combustion times of test mixtures with those of reference mixtures is suitable in principle and whether some approaches for improvement of the method can be identified. KW - Oxidiser KW - Oxidierend KW - Gefahrgut KW - Dangerous goods KW - UN O.1 KW - Prüfmethode KW - Test method PY - 2010 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-250919 UR - http://www.bam.de/de/service/publikationen/publikationen_medien/un_test_for_oxidizing_solids_final_report_on_interlab_test.pdf SN - 978-3-9814281-2-4 SP - 1 EP - 65 PB - Bundesanstalt für Materialforschung und -prüfung (BAM) CY - Berlin ET - Final report AN - OPUS4-25091 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Fricke, F. A1 - Mahmood, S. A1 - Hoffmann, J. A1 - Brandalero, M. A1 - Liehr, Sascha A1 - Kern, Simon A1 - Meyer, Klas A1 - Kowarik, Stefan A1 - Westerdicky, S. A1 - Maiwald, Michael A1 - Hübner, M. T1 - Artificial Intelligence for Mass Spectrometry and Nuclear Magnetic Resonance Spectroscopy N2 - Mass Spectrometry (MS) and Nuclear Magnetic Resonance Spectroscopy (NMR) are critical components of every industrial chemical process as they provide information on the concentrations of individual compounds and by-products. These processes are carried out manually and by a specialist, which takes a substantial amount of time and prevents their utilization for real-time closed-loop process control. This paper presents recent advances from two projects that use Artificial Neural Networks (ANNs) to address the challenges of automation and performance-efficient realizations of MS and NMR. In the first part, a complete toolchain has been developed to develop simulated spectra and train ANNs to identify compounds in MS. In the second part, a limited number of experimental NMR spectra have been augmented by simulated spectra to train an ANN with better prediction performance and speed than state-of-theart analysis. These results suggest that, in the context of the digital transformation of the process industry, we are now on the threshold of a possible strongly simplified use of MS and MRS and the accompanying data evaluation by machine-supported procedures, and can utilize both methods much wider for reaction and process monitoring or quality control. T2 - 2021 Design, Automation & Test in Europe Conference & Exhibition (DATE) CY - Online meeting DA - 01.02.2021 KW - Industry 4.0 KW - Cyber-Physical Systems KW - Artificial Neural Networks KW - Mass Spectrometry KW - Nuclear Magnetic Resonance Spectroscopy PY - 2021 UR - www.date-conference.com SN - 978-3-9819263-5-4 SP - 615 EP - 620 PB - Research Publishing AN - OPUS4-52180 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Chen, Ya‐Fan A1 - Arendt, Felix A1 - Bornhöft, Hansjörg A1 - de Camargo, Andréa S. S. A1 - Deubener, Joachim A1 - Diegeler, Andreas A1 - Gogula, Shravya A1 - Contreras Jaimes, Altair T. A1 - Kempf, Sebastian A1 - Kilo, Martin A1 - Limbach, René A1 - Müller, Ralf A1 - Niebergall, Rick A1 - Pan, Zhiwen A1 - Puppe, Frank A1 - Reinsch, Stefan A1 - Schottner, Gerhard A1 - Stier, Simon A1 - Waurischk, Tina A1 - Wondraczek, Lothar A1 - Sierka, Marek T1 - Ontology‐Based Digital Infrastructure for Data‐Driven Glass Development N2 - The development of new glasses is often hampered by inefficient trial‐and‐error approaches. The traditional glass manufacturing process is not only time‐consuming, but also difficult to reproduce with inevitable variations in process parameters. These challenges are addressed by implementing an ontology‐based digital infrastructure coupled with a robotic melting system. This system facilitates high‐throughput glass synthesis and ensures the collection of consistent process data. In addition, the digital infrastructure includes machine learning models for predicting glass properties and a tool for extracting patent information. Current glass databases have significant gaps in the relationships between compositions, process parameters, and properties due to inconsistent studies and nonconforming units. In addition, process parameters are often omitted, and even original literature references provide limited information. By continuously expanding the database with consistent, high‐quality data, it is aimed to fill these gaps and accelerate the glass development process. KW - Digitalisation KW - Data-driven glass development KW - Ontology PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-625844 DO - https://doi.org/10.1002/adem.202401560 SN - 1527-2648 SP - 1 EP - 12 PB - Wiley VHC-Verlag AN - OPUS4-62584 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Eiby, Simon H. J. A1 - Tobler, Dominique J. A1 - Voigt, Laura A1 - van Genuchten, Case M. A1 - Bruns, Stefan A1 - Jensen, Kirsten M. Ø. A1 - Stawski, Tomasz M. A1 - Wirth, Richard A1 - Benning, Liane G. A1 - Stipp, S. L. S. A1 - Dideriksen, Knud T1 - Topotactic Redox-Catalyzed Transformation of Iron Oxides N2 - Fe oxides frequently exist in systems containing both Fe(II) and Fe(III), where their reactivity is enhanced and where interfacial electron transfer from Fe(II) adsorbed to the solids causes the transformation of metastable Fe oxides. Here, we contribute to the understanding of such a transformation using green rust sulfate (GR) synthesized in the presence or absence of Si or Al as the starting material. X-ray diffraction (XRD) and pair distribution function (PDF) analyses showed that (i) rapid oxidation by Cr(VI) caused transformation to Fe oxyhydroxide with short-range ordering, with a pattern identical to that reported for the oxidation of isolated GR hydroxide sheets (i.e., a trilayer of Fe with both edge- and corner-sharing polyhedra) and (ii) goethite formed at the expense of the short-range-ordered Fe oxyhydroxide when residual Fe(II) was present, particularly when Si was absent. This is consistent with the Fe(II)-catalyzed transformation of the short-range-ordered Fe oxyhydroxide. High-resolution transmission electron microscopy (TEM) showed that the two oxidation products coexisted within individual particles and that particle shape and the crystallographic orientation of both products were inherited from the original GR crystals, i.e., they had formed through topotactic transformation. We interpret that the structural reorganization to goethite occurred either in response to distortions caused by polaron movement or as a result of electron transfer reactions occurring at internal surfaces. Once nucleated, goethite growth can be sustained by dissolution–reprecipitation. KW - Iron oxide KW - Electron microscopy KW - Pair distribution funvtion KW - Total scattering PY - 2025 DO - https://doi.org/10.1021/acsearthspacechem.5c00220 SN - 2472-3452 SP - 1 EP - 12 PB - American Chemical Society (ACS) AN - OPUS4-64924 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Blasenbauer, D. A1 - Huber, F. A1 - Lederer, J. A1 - Quina, M. A1 - Blanc-Biscarat, D. A1 - Bogush, A. A1 - Bontempi, E. A1 - Blondeau, J. A1 - Chimenos, J. A1 - Dahlbo, H. A1 - Fagerqvist, J. A1 - Giro-Paloma, J. A1 - Hjelmar, O. A1 - Hyks, J. A1 - Keaney, J. A1 - Lupsea-Toader, M. A1 - O’Caollai, C. A1 - Orupõld, K. A1 - Pajak, T. A1 - Simon, Franz-Georg A1 - Svecova, L. A1 - Syc, M. A1 - Uvang, R. A1 - Vaajasaari, K. A1 - van Caneghem, J. A1 - van Zomeren, A. A1 - Vasarevičius, S. A1 - Wégner, K. A1 - Fellner, J. T1 - Legal situation and current practice of waste incineration bottom ash utilisation in Europe N2 - Almost 500 municipal solid waste incineration plants in the EU, Norway and Switzerland generate about 17.6 Mt/a of incinerator bottom ash (IBA). IBA contains minerals and metals. Metals are mostly separated and sold to the scrap market and minerals are either disposed of in landfills or utilised in the construction sector. Since there is no uniform regulation for IBA utilisation at EU level, countries developed own rules with varying requirements for utilisation. As a result from a cooperation network between European experts an up-to-date overview of documents regulating IBA utilisation is presented. Furthermore, this work highlights the different requirements that have to be considered. Overall, 51 different parameters for the total content and 36 different parameters for the emission by leaching are defined. An analysis of the defined parameter reveals that leaching parameters are significantly more to be considered compared to total content parameters. In order to assess the leaching behaviour nine different leaching tests, including batch tests, up-flow percolation tests and one diffusion test (monolithic materials) are in place. A further discussion of leaching parameters showed that certain countries took over limit values initially defined for landfills for inert waste and adopted them for IBA utilisation. The overall utilisation rate of IBA in construction works is approximately 54 wt%. It is revealed that the rate of utilisation does not necessarily depend on how well regulated IBA utilisation is, but rather seems to be a result of political commitment for IBA recycling and economically interesting circumstances. KW - Bottom ash KW - Leaching tests KW - Utilisation PY - 2020 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-500161 DO - https://doi.org/10.1016/j.wasman.2019.11.031 SN - 0956-053X VL - 102 SP - 868 EP - 883 PB - Elsevier Ltd. CY - Amsterdam AN - OPUS4-50016 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Oster, Simon A1 - Mann, S. A1 - Sharma, R. A1 - Reisgen, U. T1 - In-situ Identifikation der Schweißnahtgeometrie bei der Anwendung von MSG-Schweißprozessen N2 - Lichtbogenbasierte Schweißverfahren wie das Metallschutzgasschweißen (MSG) zählen zu den Standardverfahren der Fügetechnik und werden in vielen Industriebereichen automatisiert unter Verwendung von Industrierobotern eingesetzt. Dabei können Schweißnahtabweichungen auftreten, die aus Änderungen der Prozessrandbedingungen und der hohen Prozessdynamik resultieren. Hier ist die Kontrolle von Schmelzbad- und Schweißnahtgeometrie für die Sicherung der Nahtqualität bedeutsam. Durch den Einsatz optischer Sensorsysteme können mit hoher zeitlicher Auflösung in-situ Informationen des Prozesszustands ermittelt werden. Dabei stellen die rauen Prozessbedingungen und die hohe Strahlungsintensität des Lichtbogens eine Herausforderung für die optischen Komponenten dar. Forschungsarbeiten am Institut für Schweißtechnik und Fügetechnik der RWTH Aachen haben gezeigt, dass durch den Einsatz einer HDR-Kamera in Kombination mit einer strukturierten Laserbelichtung gezielt geometrische Informationen des Lichtbogens und des Schmelzbads aus den Prozessaufnahmen gewonnen werden können. In dieser Arbeit wird eine parallele Schweißnaht- und Schmelzbadbeobachtung durchgeführt, wobei geometrische Informationen durch die Anwendung von Bildverarbeitungsalgorithmen extrahiert werden. Dabei wird ein nachlaufendes Sensorsystem eingesetzt, welches aus einer HDR-Kamera und einer Laserbeleuchtung besteht. Es werden diffraktive optische Elemente (DOE) zur Erzeugung von verschiedenen Laserprojektionsmustern verwendet, um sowohl eine unidirektionale als auch eine multidirektionale Prozessbeobachtung durchführen zu können. Aus den geometrischen Informationen werden Kenngrößen berechnet, anhand derer der Prozesszustand beurteilt werden kann. Es zeigt sich, dass anhand der Kenngrößenverläufe Abweichungen in der Schweiß- und Schmelzbadgeometrie und Positionierungsfehler des Roboters identifiziert werden können. T2 - Große Schweißtechnische Tagung - DVS CAMPUS CY - Online meeting DA - 14.09.2020 KW - Schweißnahtgeometrie KW - MSG-Schweißen KW - In-situ Monitoring KW - Schmelzbadbeobachtung PY - 2020 SN - 978-3-96144-098-6 VL - 365 SP - 41 EP - 47 PB - DVS Media GmbH CY - Düsseldorf AN - OPUS4-51576 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Abis, M. A1 - Bruno, M. A1 - Kuchta, K. A1 - Simon, Franz-Georg A1 - Grönholm, R. A1 - Hoppe, M. A1 - Fiore, S. T1 - Assessment of the Synergy between Recycling and Thermal Treatments in Municipal Solid Waste Management in Europe N2 - In 2018, the production of Municipal SolidWaste (MSW) in EU-28 reached 250.6 Mt, with the adoption of different management strategies, involving recycling (48 wt %), incineration and thermal valorization (29 wt %) and landfilling (23 wt %). This work was based on the analysis of the baseline situation of MSW management in EU-28 in 2018, considering its progress in 2008–2018, and discussed the possible improvement perspectives based on a framework involving incineration and recycling as the only possible alternatives, specifically evaluating the capability of already-existing incineration plants to fulfill the EU needs in the proposed framework. The results of the assessment showed two main crucial issues that could play a pivotal role in the achievement of Circular Economy action plan targets: the need to increase the recycling quotas for specific MSW fractions through the separate collection, and therefore the improvement of definite treatment process chains; the optimization of the recovery of secondary raw materials from incineration bottom ash, involving the Recycling of ferrous and nonferrous metals and the mineral fraction. Both issues need to find an extensive application across all member states to decrease the actual differences in the adoption of sustainable MSW management options. KW - Bottom ash KW - Circular economy KW - Waste treatment KW - Recycling PY - 2020 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-520285 DO - https://doi.org/10.3390/en13236412 SN - 1996-1073 VL - 13 IS - 23 SP - 6412 EP - 6412 PB - MDPI CY - Basel AN - OPUS4-52028 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Pienkoß, Fabian A1 - Abis, M. A1 - Bruno, M. A1 - Grönholm, R. A1 - Hoppe, M. A1 - Kuchta, K. A1 - Fiore, S. A1 - Simon, Franz-Georg T1 - Heavy metal recovery from the fine fraction of solid waste incineration bottom ash by wet density separation N2 - This work is aimed at exploring the recovery of heavy metals from the fine fraction of solid waste incineration bottom ash. For this study, wet-discharged bottom ash fine-fraction samples from full-scale treatment plants in Germany and Sweden were analyzed. The potential for the recovery of heavy metal compounds was investigated through wet density-separation with a shaking table. The feed materials were processed without any pre-treatment and the optimum processing conditions were determined by means of design of experiments. Tilt angle and stroke frequency were identified as the most relevant parameters, and the optimum settings were − 7.5° and 266 rpm, respectively. The obtained balanced copper enrichments (and yields) were 4.4 (41%), 6.2 (28%) and 2.4 (23%). A maximum copper enrichment of 14.5 with 2% yield was achieved, providing a concentrate containing 35.9 wt.% relevant heavy metal elements. This included 26.3 wt.% iron, 4.3 wt.% zinc and 3.8 wt.% copper. In conclusion, density separation with shaking tables can recover heavy metals from bottom ash fine fractions. Medium levels of heavy metal enrichment (e.g., for Cu 2.7–4.4) and yield (Cu: 26–41%) can be reached simultaneously. However, the separation performance also depends on the individual bottom ash sample. KW - Bottom ash KW - Density separation KW - Circular economy KW - Design of experiments PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-538569 DO - https://doi.org/10.1007/s10163-021-01325-1 SN - 1438-4957 SN - 1611-8227 VL - 24 SP - 364 EP - 377 PB - Springer Nature CY - Heidelberg AN - OPUS4-53856 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Abis, M. A1 - Bruno, M. A1 - Simon, Franz-Georg A1 - Grönholm, R. A1 - Hoppe, M. A1 - Kuchta, K. A1 - Fiore, S. T1 - A Novel Dry Treatment for Municipal Solid Waste Incineration Bottom Ash for the Reduction of Salts and Potential Toxic Elements N2 - The main obstacle to bottom ash (BA) being used as a recycling aggregate is the content of salts and potential toxic elements (PTEs), concentrated in a layer that coats BA particles. This work presents a dry treatment for the removal of salts and PTEs from BA particles. Two pilotscale abrasion units (with/without the removal of the fine particles) were fed with different BA samples. The performance of the abrasion tests was assessed through the analyses of particle size and moisture, and that of the column leaching tests at solid-to-liquid ratios between 0.3 and 4. The results were: the particle-size distribution of the treated materials was homogeneous (25 wt % had dimensions <6.3 mm) and their moisture halved, as well as the electrical conductivity of the leachates. A significant decrease was observed in the leachates of the treated BA for sulphates (44%), chlorides (26%), and PTEs (53% Cr, 60% Cu and 8% Mo). The statistical analysis revealed good correlations between chloride and sulphate concentrations in the leachates with Ba, Cu, Mo, and Sr, illustrating the consistent behavior of the major and minor components of the layer surrounding BA particles. In conclusion, the tested process could be considered as promising for the improvement of BA valorization. KW - Bottom ash KW - Dry treatment KW - Potential toxic elements KW - Salts PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-527963 DO - https://doi.org/10.3390/ma14113133 SN - 1996-1944 VL - 14 IS - 11 SP - 3133 PB - MDPI CY - Basel AN - OPUS4-52796 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - RPRT A1 - Kalbe, Ute A1 - Witt, K. J. A1 - Simon, Franz-Georg A1 - Prohaska, S. A1 - Slowik, V. T1 - Bedingungen suffosiver Erosionsphänomene in Böden N2 - Für eine detaillierte Analyse der Gefüge- und Porenstruktur weitgestufter Erdstoffe ist es notwendig, diese dreidimensional (3D) zu visualisieren und ihre Kenngrößen zu ermitteln. Dazu wurde an der BAM eine Präparationsmethode entwickelt, die es ermöglicht die Porenstruktur von Probenkörpern aus suffosiven Erdstoffen und definierten Korngrößenverteilungen über CT-Aufnahmen abzubilden. Über eine eigens dafür, in Zusammenarbeit mit dem Zuse-Institut Berlin (ZIB), entwickelte Bildanalysemethode wurden die Strukturdaten visualisiert. Aus dem Bilddatensatz konnte bereits in der Rückwärtsrechnung eine Kornverteilungslinie zur Validierung generiert und mit experimentell ermittelten Sieblinien verglichen werden. Des Weiteren wurden in Säulenexperimenten Kornumlagerungsprozesse unter der Verwendung von CT-Aufnahmen beobachtet. Als eine weitere Möglichkeit zur Beschreibung von Gefüge- und Porenstrukturen wurden Kugelpackungen modelliert und deren Strukturdaten ermittelt. Mit einem an der HTWK entwickelten stochastisch-heuristischen Algorithmus lassen sich wirklichkeitsnahe 3D-Gefügemodelle aus kugelförmigen Feststoffpartikeln generieren. Die Kornverteilung ist dabei wählbar. Für die erstellten Gefügemodelle kann der vollständige Porengraph einschließlich der Porengrößen und Engstellen ermittelt und ausgelesen werden. Ein an der BAM entwickelter und durch die BUW erweiterter Säulenversuch unter Verwendung systematisch veränderter Korngemische von natürlichen Gesteinskörnungen und Glaskugeln ergab weitere Aufschlüsse über die strukturbildenden Fraktionen des Korngerüstes. Die Perkolationstheorie ist eine moderne wahrscheinlichkeitstheoretische Methode, um Fluss- und Transportvorgänge innerhalb poröser Medien zu simulieren. Über Porennetzwerkmodelle werden die komplexen Fließwege in der Porenstruktur vereinfacht abgebildet. An der BUW wurde ein 3D-Bond-Perkolationsmodell auf einem simplen kubischen Gitter realisiert, in dem die Gitterknoten die Poren und die Gitterstäbe die Porenengstellen repräsentieren. Lokale und globale Strukturveränderungen infolge Partikeltransports werden über die Analyse von Porenräumen beschrieben. Mit diesem Perkolationsmodell können Aussagen zur lokalen und globalen Strukturveränderung durch Partikeltransport in definierten Bodenvolumen abgeleitet werden. Die hergeleiteten Zusammenhänge zu den suffosiven Materialtransportbedingungen mit der Perkolationstheorie sind für homogene, isotrope und selbstähnliche Erdstoffgefüge gültig. KW - Wasserbau KW - Bodenmechanik PY - 2012 VL - SI 1382/1-2 SP - 1 EP - 24 AN - OPUS4-52427 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Bruno, M. A1 - Abis, M. A1 - Simon, Franz-Georg A1 - Grönholm, R. A1 - Hoppe, M. A1 - Fiore, S. T1 - Material flow, economic and environmental assessment of municipal solid waste incineration bottom ash recycling potential in Europe N2 - In 2018 municipal solid waste (MSW) incineration in Europe produced nearly 19 Mt of bottom ash (BA); only 46 %-wt. was treated, often in poorly performing plants, leaving behind 10 Mt of untreated and unrecovered BA, destined to landfill. This work was based on the inventory of BA across Europe, and on the hypothesis to achieve complete BA valorisation through two assumptions: treating 100% BA and minimizing the loss of valuable fractions due to technical limitations of state-of-the-art processes in comparison to advanced innovative processes. The research involved three phases: characterization of potential secondary raw materials (metals and mineral fraction) currently lost from untreated (the surplus compared to treatment capacity) and unrecovered BA (the fine fraction) through material flow analysis; environmental assessment (energy balance and net GHG emissions) of complete BA valorisation; investigation of the economic feasibility of complete BA Valorisation through state-of-the-art technologies. The resulting 2.14 Mt loss of valuable materials included 1 Mt Mineral fraction and 0.97 Mt ferrous metals, mostly from untreated BA, and 0.18 Mt non-ferrous metals, mostly from unrecovered BA. The energy balance and GHGs emissions required by the treatment of the currently untreated and unrecovered fractions of BA resulted in energy and GHGs emissions savings. Economic profitability was driven by iron and copper recycling and avoided landfill fees. Profitability was achieved by two thirds of considered countries (average values: NPV 83 M€, ROI 20%, payback time 11 years) with BA mass flow exceeding 0.02 Mt. KW - Bottom ash KW - Circular Economy KW - Thermal treatment PY - 2021 DO - https://doi.org/10.1016/j.jclepro.2021.128511 SN - 0959-6526 VL - 317 SP - 1 EP - 13 PB - Elsevier Ltd. CY - Amsterdam AN - OPUS4-53051 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Abis, M. A1 - Bruno, M. A1 - Simon, Franz-Georg A1 - Grönhom, R. A1 - Kuchta, K. A1 - Fiore, S. ED - Medici, F. T1 - A Novel Dry Treatment for Municipal Solid Waste Incineration Bottom Ash for the Reduction of Salts and Potential Toxic Elements N2 - The main obstacle to bottom ash (BA) being used as a recycling aggregate is the content of salts and potential toxic elements (PTEs), concentrated in a layer that coats BA particles. This work presents a dry treatment for the removal of salts and PTEs from BA particles. Two pilotscale abrasion units (with/without the removal of the fine particles) were fed with different BA samples. The performance of the abrasion tests was assessed through the analyses of particle size and moisture, and that of the column leaching tests at solid-to-liquid ratios between 0.3 and 4. The results were: the particle-size distribution of the treated materials was homogeneous (25 wt % had dimensions <6.3 mm) and their moisture halved, as well as the electrical conductivity of the leachates. A significant decrease was observed in the leachates of the treated BA for sulphates (44%), chlorides (26%), and PTEs (53% Cr, 60% Cu and 8% Mo). The statistical analysis revealed good correlations between chloride and sulphate concentrations in the leachates with Ba, Cu, Mo, and Sr, illustrating the consistent behavior of the major and minor components of the layer surrounding BA particles. In conclusion, the tested process could be considered as promising for the improvement of BA valorization. KW - Bottom ash KW - Dry treatment KW - Municipal solid waste PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-552161 SN - 978-3-0365-3063-5 DO - https://doi.org/10.3390/ma14113133 SP - 57 EP - 71 PB - MDPI CY - Basel AN - OPUS4-55216 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Simon, Fabian A1 - Gehrenkemper, Lennart A1 - Becher, S. A1 - Dierckes, G. A1 - Langhammer, Nicole A1 - Cossmer, Antje A1 - von der Au, Marcus A1 - Göckener, B. A1 - Fliedner, A. A1 - Rüdel, H. A1 - Koschorreck, J. A1 - Meermann, Björn T1 - Quantification and characterization of PFASs in suspended particulate matter (SPM) of German rivers using EOF, dTOPA, (non-)target HRMS N2 - In this study, we compare analytical methods for PFAS determination–target analysis, non-target screening (NTS), direct total oxidizable precursor assay (dTOPA) and extractable organically bound fluorine (EOF). Therefore, suspended particulate matter (SPM) samples from German rivers at different locations in time series from2005 to 2020 were analyzed to investigate temporal and spatially resolved trends. In this study 3 PFAS mass balances approaches were utilized: (i) PFAA target vs. PFAS dTOPA, (ii) PFAS target vs. EOF and (iii) PFAS target vs. PFAS dTOPA vs. organofluorines NTS vs. EOF. Mass balance approach (i) revealed high proportions of precursor substances in SPM samples. For the time resolved analysis an increase from 94% (2005) to 97% in 2019 was observable. Also for the spatial resolved analysis precursor proportions were high with >84% at all sampling sites. Mass balance approach (ii) showed that the unidentified EOF (uEOF) fraction increased over time from82% (2005) to 99% (2019). Furthermore, along the river courses the uEOF increased. In the combined mass balance approach (iii) using 4 different analytical approaches EOF fractions were further unraveled. The EOF pattern was fully explainable at the sampling sites at Saar and Elbe rivers. For the time resolved analysis, an increased proportion of the EOF was now explainable. However, still 27% of the EOF for the time resolved analysis and 25% of the EOF for the spatial resolved analysis remained unknown. Therefore, in a complementary approach, both the EOF and dTOPA reveal unknown gaps in the PFAS mass balance and are valuable contributions to PFAS risk assessment. Further research is needed to identify organofluorines summarized in the EOF parameter. KW - PFAS KW - HR-CS-GFMAS KW - Fluorine KW - SPM KW - LC-MS/MS PY - 2023 DO - https://doi.org/10.1016/j.scitotenv.2023.163753 SN - 1879-1026 SN - 0048-9697 VL - 885 SP - 1 EP - 12 PB - Elsevier Science CY - Amsterdam AN - OPUS4-57429 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Herbig, B. A1 - Jörres, R. A. A1 - Schierl, R. A1 - Simon, M. A1 - Langner, Jeanette A1 - Seeger, Stefan A1 - Nowak, D. A1 - Karrasch, S. T1 - Psychological and cognitive effects of laser printer emissions: A controlled exposure study N2 - The possible impact of ultrafine particles from laser printers on human health is controversially discussed although there are persons reporting substantial symptoms in relation to these emissions. A randomized, single-blinded, cross-over experimental design with two exposure conditions (high-level and low-level exposure) was conducted with 23 healthy subjects, 14 subjects with mild asthma, and 15 persons reporting symptoms associated with laser printer emissions. To separate physiological and psychological effects, a secondary physiologically based categorization of susceptibility to particle effects was used. In line with results from physiological and biochemical assessments, we found no coherent, differential, or clinically relevant effects of different exposure conditions on subjective complaints and cognitive performance in terms of attention, short-term memory, and psychomotor performance. However, results regarding the psychological characteristics of participants and their situational perception confirm differences between the participants groups: Subjects reporting symptoms associated with laser printer emissions showed a higher psychological susceptibility for adverse reactions in line with previous results on persons with multiple chemical sensitivity or idiopathic environmental intolerance. In conclusion, acute psychological and cognitive effects of laser printer emissions were small and could be attributed only to different participant groups but not to differences in exposure conditions in terms of particle number concentrations. KW - Cognitive performance KW - Exposure KW - Idiopathic environmental intolerance KW - Laser printer emission KW - Multiple chemical sensitivity KW - Subjective complaints PY - 2018 DO - https://doi.org/10.1111/ina.12429 SN - 1600-0668 SN - 0905-6947 VL - 28 IS - 1 SP - 112 EP - 124 PB - John Wiley & Sons, Inc. CY - 111 RIVER ST, HOBOKEN 07030-5774, NJ USA AN - OPUS4-43945 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Gottu Mukkula, A. R. A1 - Engell, S. A1 - Kern, Simon A1 - Guhl, Svetlana A1 - Meyer, Klas A1 - Maiwald, Michael T1 - PAT-basierte iterative Optimierung der Fahrweise eines kontinuierlichen organischen Syntheseprozesses N2 - Im Zuge der Digitalisierung der Prozessindustrie werden zunehmend modellbasiere Echtzeitoptimierungsverfahren eingesetzt, sog. „Advanced Process Control“. Mithilfe der sogenannten Modifier-Adaptation ist eine iterative Betriebspunktoptimierung auch mit ungenauen Modellen möglich, sofern zuverlässige Prozessdaten zur Verfügung stehen. Am Beispiel eines smarten Online-NMR-Sensors, der in einem EU-Projekt von der BAM entwickelt wurde, konnte das Konzept in einer modularen Produktionsanlage zur Herstellung eines pharmazeutischen Wirkstoffs erfolgreich getestet werden. T2 - ProcessNet-Jahrestagung und 33. DECHEMA-Jahrestagung der Biotechnologen CY - Aachen, Germany DA - 10.09.2018 KW - Prozessanalytik KW - Echtzeitoptimierungsverfahren KW - Modifier-Adaptation KW - Prozess-Steuerung KW - Betriebspunktoptimierung KW - CONSENS PY - 2018 UR - https://onlinelibrary.wiley.com/doi/abs/10.1002/cite.201855233 DO - https://doi.org/10.1002/cite.201855233 SN - 0009-286X VL - 90 SP - 1237 EP - 1237 PB - Wiley-VCH Verlag GmbH & Co. KGaA CY - Weinheim AN - OPUS4-45902 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Karrasch, Stefan A1 - Simon, M. A1 - Herbig, Britta A1 - Langner, Jeanette A1 - Seeger, Stefan A1 - Kronseder, A. A1 - Peters, S. A1 - Dietrich-Gümperlein, G. A1 - Schierl, R. A1 - Nowak, D. A1 - Jörres, R.A. ED - Nazaroff, William T1 - Health effects of laser printer emissions: a controlled exposure study N2 - Ultrafine particles emitted from laser printers are suspected to elicit adverse health effects. We performed 75-minute exposures to emissions of laser printing devices (LPDs) in a standardized, randomized, cross- over manner in 23 healthy subjects, 14 mild, stable asthmatics, and 15 persons reporting symptoms associated with LPD emissions. Low-level exposures (LLE) ranged at the particle background (3000 cm−3) and High-level exposures (HLE) at 100 000 cm−3. Examinations before and after exp sures included spirometry, body plethysmography, transfer factors for CO and NO (TLCO, TLNO), bronchial and alveolar NO, cytokines in serum and nasal secretions (IL-1β, IL-5, IL-6, IL-8, GM-CSF, IFNγ, TNFα), serum ECP, and IgE. Across all participants, no statistically significant changes occurred for lung mechanics and NO. There was a decrease in volume-related TLNO that was more pronounced in HLE, but the difference to LLE was not significant. ECP and IgE increased in the same way after exposures. Nasal IL-6 showed a higher increase after LLE. There was no coherent pattern regarding the responses in the participant subgroups or single sets of variables. In conclusion, the experimental acute responses to short but very high-level LPD exposures were small and did not indicate clinically relevant effects compared to low particle number concentrations. KW - Emission KW - Exposure KW - Laser printer KW - Lung function KW - Respiratory health KW - Ultrafine particles PY - 2017 DO - https://doi.org/10.1111/ina.12366 SN - 1600-0668 VL - 27 IS - 4 SP - 753 EP - 765 PB - John Wiley & Sons Ltd. CY - London AN - OPUS4-42593 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Kern, Simon A1 - Wander, Lukas A1 - Meyer, Klas A1 - Guhl, Svetlana A1 - Gottu Mukkula, A. R. A1 - Holtkamp, M. A1 - Salge, M. A1 - Fleischer, C. A1 - Weber, N. A1 - Engell, S. A1 - Paul, Andrea A1 - King, R. A1 - Maiwald, Michael T1 - Raw data of pilot plant runs for CONSENS project (Case study 1) N2 - In case study one of the CONSENS project, two aromatic substances were coupled by a lithiation reaction, which is a prominent example in pharmaceutical industry. The two aromatic reactants (Aniline and o-FNB) were mixed with Lithium-base (LiHMDS) in a continuous modular plant to produce the desired product (Li-NDPA) and a salt (LiF). The salt precipitates which leads to the formation of particles. The feed streams were subject to variation to drive the plant to its optimum. The uploaded data comprises the results from four days during continuous plant operation time. Each day is denoted from day 1-4 and represents the dates 2017-09-26, 2017-09-28, 2017-10-10, 2017-10-17. In the following the contents of the files are explained. KW - Process Analytical Technology KW - Multivariate Data Analysis KW - Nuclear Magnetic Resonance KW - Near Infrared Spectroscopy KW - Continuous Manufacturing KW - CONSENS PY - 2018 DO - https://doi.org/10.5281/zenodo.1438233 PB - Zenodo CY - Geneva AN - OPUS4-48063 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -