Paul Jakob Jägerfeld, Dr. Hendrik Gossler, Johannes Riedel, Dr. Sofia Angeli, Dr. Yuemin Wang, Dr. Sarah Bernart, Dr. Jelena Jelic, Prof. Dr. Felix Studt, Prof. Dr. Olaf Deutschmann
{"title":"A Combined Infrared Spectroscopy Database and Analysis Tool","authors":"Paul Jakob Jägerfeld, Dr. Hendrik Gossler, Johannes Riedel, Dr. Sofia Angeli, Dr. Yuemin Wang, Dr. Sarah Bernart, Dr. Jelena Jelic, Prof. Dr. Felix Studt, Prof. Dr. Olaf Deutschmann","doi":"10.1002/cite.202400150","DOIUrl":"https://doi.org/10.1002/cite.202400150","url":null,"abstract":"<p>The advances in density functional theory (DFT) made it possible to calculate the vibrational frequencies and peak intensities of adsorbates on extended heterogeneous catalyst surfaces. However, the peak broadening that naturally appears in experimental infrared spectra due to physical effects and instrumental limitations is usually not part of the quantum mechanical modeling method. Here, a new user-friendly application, CaRIn (Catalysis Research with Infrared Spectroscopy), within the CaRMeN platform is proposed, in which the peak width can be approximated by means of Gaussian functions. The peak broadening can be adjusted in real time and compared to both experimental and other simulated spectra. The application integrates functionality for better visual comparability of different spectra and a database of spectra to enhance workflow efficiency.</p>","PeriodicalId":9912,"journal":{"name":"Chemie Ingenieur Technik","volume":"97 5","pages":"463-471"},"PeriodicalIF":1.5,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cite.202400150","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143909541","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Nils Kurig, Bjarne Kreitz, Emanuele Moioli, Marion Börnhorst, Jens Friedland
{"title":"NaWuReT Colloquium: Veni, Vidi, Vici? Visionary Leaders in Chemical Reaction Engineering","authors":"Nils Kurig, Bjarne Kreitz, Emanuele Moioli, Marion Börnhorst, Jens Friedland","doi":"10.1002/cite.202500029","DOIUrl":"https://doi.org/10.1002/cite.202500029","url":null,"abstract":"<p>The Nachwuchs Reaktionstechnik (NaWuReT) is an organization of early-career chemical engineers in the DECHEMA/VDI subject division Reaction Engineering. In the spring of 2024, the annual colloquium was held as a series of online lectures featuring five distinguished late-career academics and experts from industry. The speakers shared insights into how they transformed their efforts and ideas into successful careers in academia and industry. Additionally, they provided valuable recommendations for early-career chemical engineers, offering a critical resource for professional development in the field.</p>","PeriodicalId":9912,"journal":{"name":"Chemie Ingenieur Technik","volume":"97 5","pages":"374-377"},"PeriodicalIF":1.5,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cite.202500029","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143909540","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Einsatz von Sauerstoff aus der Wasserelektrolyse für chemische Synthesen\u0000 Oxygen from Water Electrolysis as Feedstock for Chemical Synthesis","authors":"Kajetan Mühlböck, Prof. Dr.-Ing. Johannes Völkl","doi":"10.1002/cite.202400138","DOIUrl":"https://doi.org/10.1002/cite.202400138","url":null,"abstract":"<p>Hydrogen from renewable sources is crucial for climate goals, with water electrolysis as a key technology. This process also produces oxygen as a by-product, already used in various applications. This study evaluates the techno-economic potential of utilizing electrolysis-derived oxygen for the synthesis of ethylene oxide (EO) and vinyl acetate monomer (VAM). Depending on electricity prices, hydrogen production costs can be reduced by 6–12 % if oxygen is sold at market value. EO and VAM costs can decrease by up to 4.5 % if oxygen is provided for free. Integration into industrial clusters enhances synergies for hydrogen and oxygen utilization.</p>","PeriodicalId":9912,"journal":{"name":"Chemie Ingenieur Technik","volume":"97 5","pages":"536-548"},"PeriodicalIF":1.5,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cite.202400138","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143909465","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}