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Amtliche Mitteilungen der Technischen Universität Dortmund Nr. 3/2025
(Technische Universität Dortmund, 2025-01-27)
AI in process industries
(2023-04-13) Bortz, Michael; Dadhe, Kai; Engell, Sebastian; Gepert, Vanessa; Kockmann, Norbert; Müller-Pfefferkorn, Ralph; Schindler, Thorsten; Urbas, Leon
The chemical industry is one of the key industrial sectors in Germany and at the same time one of the largest consumers of energy and raw materials. A successful energy transition and the development of a circular economy can only succeed if they are actively supported and shaped by the chemical industry – through the redesign of existing production processes and the exploration and implementation of new process routes. The challenge is to realize this transformation within a very short time and for many production processes, whereby a much larger number of process routes must be explored. Digital technologies are key to master this transformation towards more sustainability, climate, and environmental protection. The KEEN project aims to explore and leverage artificial intelligence (AI) opportunities in process industry. The newly developed AI methods are tested wherever possible in real working environments and production plants to prove the economic benefit, applicability, and reliability of the methods and technologies.
Comprehensive study of the enhanced reactivity of turbo-Grignard reagents
(2023-03-27) Hermann, Andreas; Seymen, Rana; Brieger, Lukas; Kleinheider, Johannes; Grabe, Bastian; Hiller, Wolf; Strohmann, Carsten
Since its introduction in 2004, Knochel's so called Turbo-Grignard reagents revolutionized the usage of Grignard reagents. Through the simple addition of LiCl to a magnesium alkyl an outstanding increase in reactivity can be achieved. Though the exact composition of the reactive species remained mysterious, the reactive mixture itself is readily used not only in synthesis but also found its way into more distant fields like material science. To unravel this mystery, we combined single-crystal X-ray diffraction with in-solution NMR-spectroscopy and closed our investigations with quantum chemical calculations. Using such a variety of methods, we have gained insight into and an explanation for the extraordinary reactivity of this extremely convenient reagent by determining the structure of the first bimetallic reactive species [t-Bu2Mg ⋅ LiCl ⋅ 4 thf] with two tert-butyl anions at the magnesium center and incorporated lithium chloride.
Design of module type package services for modular downstream units and process analytic technology
(2023-05-10) Bittorf, Lukas; Oeing, Jonas; Kock, Tobias; Garreis, Robert; Kockmann, Norbert
Modularization of process plants with its standardization activities is one of the current responses to react to dynamic markets, shorter product life cycles, and uncertain supply chains. Standardized solutions for intelligent process equipment assemblies with own automation promise high potential for chemical and pharmaceutical industries. Despite the standardized description of the module type package (MTP) and the corresponding service concept, the implementation of the service logic is left to the manufacturer, which often leads to finding various granular services for different process functions or assemblies. In this contribution, different service design approaches for a generic ‘separate’ service are investigated on the example of a solvent extraction and a distillation column. Additionally, a Raman spectroscope device for process analysis is implemented via MTP with an ‘analyze’ service. Pros and cons of the different service design approaches are discussed in the context of a fast and flexible process development in the laboratory.
Microporous, crystalline, and water‐processable framework materials of organic amphiphile salts
(2023-05-18) Frentzel-Beyme, Louis; Kolodzeiski, Pascal; Terlinden, Kai; Henke, Sebastian
Porous framework materials are of major importance for a wide range of technologies. Nevertheless, many of these materials lack processibility as they are typically synthesized under rather harsh conditions and obtained as microcrystalline powders that cannot easily be coated or deposited from solution. Herein, a new approach to water-processable metal–organic framework materials is presented. The materials are based on amphiphilic organic building blocks consisting of polar carboxylate groups and non-polar alkyl chains connected to a rigid aromatic core. The amphiphilic building blocks assemble to porous framework structures via bonding to kinetically labile sodium ions from concentrated aqueous solution. The obtained crystalline materials, termed amphiphile salt frameworks , are thermally and mechanically stable (some derivatives up to 365 °C and up to at least 4000 bar hydrostatic pressure), exhibit persistent microporous channels accessible to several gases (N2, CO2, propane, propylene, n-butane), and can be reversibly assembled/disassembled by crystallization from or dissolution in water. Systematic variation of the hydrophobic side chains of the amphiphile building blocks allows extracting structure-property relationships and first design rules for this new class of water-processable microporous framework materials.