Jessica Behrens, Sven Tiedemann, Tom Kunde, Prof. Dr. Jan von Langermann, Prof. Dr.-Ing. Achim Kienle
{"title":"Moving Horizon Parameter Estimation for an Enzyme-Catalyzed Transamination Reaction with Integrated Product Removal","authors":"Jessica Behrens, Sven Tiedemann, Tom Kunde, Prof. Dr. Jan von Langermann, Prof. Dr.-Ing. Achim Kienle","doi":"10.1002/cite.202400106","DOIUrl":"https://doi.org/10.1002/cite.202400106","url":null,"abstract":"<p>Chiral amines are key building blocks in producing active pharmaceutical ingredients and can be synthesized via the amine transaminase pathway under mild conditions with eco-friendly solvents. For model-based design and control, mathematical models can be utilized. This requires reliable parameterization of the model. In this study, a model for the production of (<i>S</i>)-(3 methoxyphenyl)-ethylamine is presented. Parameter identifiability is analyzed using the method of profile likelihoods. The parameter identifiability is then tested in two different batch operation scenarios by using moving horizon estimation, which can be applied for on-line model adaption and control purposes. In a batch process, identifiability decreases over time. A repetitive batch strategy improves parameter identifiability.</p>","PeriodicalId":9912,"journal":{"name":"Chemie Ingenieur Technik","volume":"96 12","pages":"1751-1766"},"PeriodicalIF":1.5,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cite.202400106","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142708427","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}
Philipp Adrian Baum, Dr. Martin Gerlach, Prof. Christof Hamel
{"title":"Modeling an Industrial Hydrochlorination of Glycerol – A Systematic Study of Basic Reactor Types","authors":"Philipp Adrian Baum, Dr. Martin Gerlach, Prof. Christof Hamel","doi":"10.1002/cite.202400111","DOIUrl":"https://doi.org/10.1002/cite.202400111","url":null,"abstract":"<p>Modeling and optimization of real chemical reactors is challenging. A program to systematically compare the performance of an existing reactor with basic reactor models was built. The program was tested on the hydrochlorination of bio-based glycerol in a bubble column. The model-based approach provided insights into the reactor's concentration profiles, mass transfer, and mixing. In this case study, a plug-flow tubular reactor (PFTR) is sufficient as a model for process intensification. Based on the results, a novel reactor design that significantly improves yields was proposed and simulated.</p>","PeriodicalId":9912,"journal":{"name":"Chemie Ingenieur Technik","volume":"96 12","pages":"1545-1561"},"PeriodicalIF":1.5,"publicationDate":"2024-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cite.202400111","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142708419","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}
Dr. Francesco Sabatino, Mattia Galanti, Dr. Ivo Roghair, Prof. Dr. Martin Van Sint Annaland
{"title":"Design and Development of Integrated Direct Air Capture and Methanation Processes","authors":"Dr. Francesco Sabatino, Mattia Galanti, Dr. Ivo Roghair, Prof. Dr. Martin Van Sint Annaland","doi":"10.1002/cite.202400076","DOIUrl":"https://doi.org/10.1002/cite.202400076","url":null,"abstract":"<p>The synergies from integrating direct air capture and CO<sub>2</sub> methanation are assessed and quantified. Three direct air capture and methanation processes with different integration strategies are proposed: only heat integration, direct air capture sorbent regeneration with high-pressure H<sub>2</sub>, and complete integration in a single unit. The heat integration study via pinch analysis evaluated the potential energy demand reduction. Overall autothermal operation is achievable, as the heat generated in methanation often exceeds that required for direct air capture sorbent regeneration. A novel process combining CO<sub>2</sub> adsorption and methanation in one reactor provided the best productivity and energy demand results. However, this design requires complex cycles and strict demands on the sorbent and catalyst, requiring further development and experimental demonstration.</p>","PeriodicalId":9912,"journal":{"name":"Chemie Ingenieur Technik","volume":"96 12","pages":"1585-1594"},"PeriodicalIF":1.5,"publicationDate":"2024-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cite.202400076","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142708364","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":"Ein Festival des Netzwerkens","authors":"","doi":"10.1002/cite.202471104","DOIUrl":"https://doi.org/10.1002/cite.202471104","url":null,"abstract":"<p><b>Wissenschaft und Industrie im Dialog – beim ersten DECHEMA FORUM konnte man das Motto der DECHEMA vor Ort in jeder Hinsicht erleben. Ob zwischen Disziplinen, Organisationen oder Generationen: zwei Tage lang wurde Wissen geteilt, Standpunkte ausgetauscht und Kontakte geknüpft. Dabei lebte das neue Veranstaltungskonzept sowohl von den abwechslungsreichen Formaten als auch von den vielen eingebrachten Perspektiven</b>.</p><p>Mit der Premiere des DECHEMA FORUMs wollte die DECHEMA ein neues Format schaffen, das einerseits den geänderten Ansprüchen von Teilnehmenden in Richtung kürzerer, kompakter Veranstaltungen entgegenkommt, andererseits die Vielfalt der Themen und den Anspruch der DECHEMA, Netzwerke zu knüpfen und gemeinsam neue Ideen zu entwickeln, abbildet. Das ist bei der Auftaktveranstaltung in Friedrichshafen gelungen.</p><p>„Nachhaltig produzieren in Chemie, Pharma und Life Sciences“ war die übergreifende Fragestellung, unter der sich vom 11. bis zum 13. September 2024 hochrangige internationale Plenarvorträge, themenfokussierte Vortragssessions und Workshops versammelten.</p><p>Allein die Plenarvorträge zeigen schon, wie unterschiedlich Beiträge zur Nachhaltigkeit aussehen können: Ralf Düssel stellte die Sichtweise des Chemiekonzerns Evonik vor; dieser hat sich bereits auf den Weg zu mehr Nachhaltigkeit gemacht und sieht sich der Herausforderung gegenüber, eine langfristige Strategie auch angesichts volatiler Rahmenbedingungen und noch offener technischer Fragestellungen umzusetzen. Kami Krista verwies auf die Potenziale von künstlicher Intelligenz, um nachhaltige Prozessentwicklung anzugehen, auch wenn noch nicht der letzte Datensatz als Entscheidungsgrundlage zur Verfügung steht. Und John Woodley zeigte nicht nur die Hürden bei der Entwicklung der Bioökonomie auf, sondern skizzierte auch Wege zu deren Überwindung – nämlich indem das Design eines Biokatalysators und des entsprechenden Prozesses integriert angegangen werden.</p><p>Zu diesen Programmhöhepunkten kamen weitere Plenar- und Tandemvorträge, darunter auch die CIT-Lecture der diesjährigen Preisträgerin Regina Palkovits. Die Teilnehmer der Podiumsdiskussion „Sektorübergreifende Transformation – wer macht den ersten Schritt“ stellten allerdings die guten Ideen und Transformationskonzepte auf den Prüfstein der Machbarkeit. Aus dieser Veranstaltung ging so mancher wohl eher ernüchtert – denn den ersten Schritt müssen wohl alle gleichzeitig machen und sehen sich dabei doch nach eigener Aussage durch bürokratische Hürden, unzuverlässige Rahmenbedingungen und hohe Kosten gehindert. Die Forderungen waren eindeutig: Ein ausgeweiteter „Industrial Green Deal“, weniger und pragmatischere Regulatorik und günstige Energie, besonders in Form von Industriestrompreisen, das wären Faktoren, die aus dem Hürdenlauf ein Mittelstreckenrennen machen könnten.</p><p>In den Workshops hatten dann alle Beteiligten die Gelegenheit, aktiv mitzudiskutieren. So vielfältig die Themen und Formate – es ging unt","PeriodicalId":9912,"journal":{"name":"Chemie Ingenieur Technik","volume":"96 11","pages":"1453"},"PeriodicalIF":1.5,"publicationDate":"2024-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cite.202471104","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142524968","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}
Laura Euler Bueno, Dr. Kristina Maria Zentel, Prof. Dr. Markus Busch
{"title":"Determination of Chain Transfer Constants of Alcohols for High-Pressure Polyethylene Polymerization","authors":"Laura Euler Bueno, Dr. Kristina Maria Zentel, Prof. Dr. Markus Busch","doi":"10.1002/cite.202400095","DOIUrl":"https://doi.org/10.1002/cite.202400095","url":null,"abstract":"<p>In low-density polyethylene (LDPE) production, low-molecular-weight species are used as chain transfer agents (CTAs). They reduce the degree of polymerization, which has an impact on the polymer properties, such as processability. To specifically adjust the product properties, a detailed understanding of the transfer kinetics to CTAs is indispensable. Thus, the transfer activity of various primary, secondary, and tertiary alcohols as well as diols was investigated experimentally between 120 °C and 250 °C at 2000 bar. The results were evaluated using the Mayo and chain length distribution (CLD) method, and the latter was found to give more reliable results. It was observed that the hydroxy group systematically increases transfer activity compared to alkanes. Additionally, a linear increase of transfer activity with the number of hydrogen atoms is found.</p>","PeriodicalId":9912,"journal":{"name":"Chemie Ingenieur Technik","volume":"96 12","pages":"1697-1708"},"PeriodicalIF":1.5,"publicationDate":"2024-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cite.202400095","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142708044","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":"Finanzielle Unterstützung für Studierende","authors":"","doi":"10.1002/cite.202471103","DOIUrl":"https://doi.org/10.1002/cite.202471103","url":null,"abstract":"<p>Zum Sommersemester 2025 vergibt die bei der Gesellschaft Deutscher Chemiker (GDCh) eingerichtete August-Wilhelm-von-Hofmann-Stiftung erneut Stipendien. Bachelor-, Diplom- oder Examensstudierende der Chemie und angrenzender Gebiete können ab April 2025 für bis zu 18 Monate eine Förderung in Höhe von 300 Euro pro Monat erhalten. Bewerbungen sind bis zum 1. Februar 2025 über das Online-Portal möglich.</p><p>Studierende der Chemie und angrenzender Gebiete mit sehr guten Studienleistungen, die nur über begrenzte finanzielle Mittel verfügen, können sich um eines der rund 20 Stipendien der August-Wilhelm-von-Hofmann-Stiftung bewerben. Auch Engagement außerhalb des Studiums wird positiv berücksichtigt. Gefördert werden Studierende, die zu Beginn des Sommersemesters 2025 im vierten oder fünften Fachsemester sind. Die Förderung wird nicht auf BAföG-Leistungen angerechnet.</p><p>Mit den August-Wilhelm-von-Hofmann-Stipendien sollen motivierte und talentierte Studierende gefördert werden – vor allem diejenigen mit eingeschränkten finanziellen Möglichkeiten. Die Stiftung geht auf ein 2010 verstorbenes, langjähriges GDCh-Mitglied zurück, das den Großteil seines Vermögens der GDCh vermachte, um begabte Studierende der Chemie zu fördern. Sie ist nach dem ersten Präsidenten der 1867 gegründeten GDCh-Vorläuferorganisation Deutsche Chemische Gesellschaft benannt. Seit ihrer Einführung haben bereits über 300 Studierende von der Förderung profitiert und sind Teil des August-Wilhelm-von-Hofmann-Netzwerks geworden.</p><p>Weitere Informationen und Bewerbung unter <i>www.gdch.de/hofmannstiftung</i></p><p></p><p></p>","PeriodicalId":9912,"journal":{"name":"Chemie Ingenieur Technik","volume":"96 11","pages":"1451-1452"},"PeriodicalIF":1.5,"publicationDate":"2024-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cite.202471103","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142524967","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":"Teaching 4.0","authors":"Prof. Dr. Martin Bertau, Dr. Ines Aubel","doi":"10.1002/cite.202400116","DOIUrl":"https://doi.org/10.1002/cite.202400116","url":null,"abstract":"<p>When the term Industry 4.0 was coined in 2011, a spirit of optimism about a new, digital age spread. Politicians reacted immediately and as early as 2012, the German Federal Ministry of Education and Research (BMBF) provided universities with funding to support this transformation process in student education.</p><p>The special issue Industry 4.0 – Teaching 4.0 shows how dynamic this topic has become in university teaching, which has long been a driver and innovation engine of digital methods. Although the degree of implementation in lectures, tutorials and practical courses varies from university to university, it is nevertheless unmistakable.</p><p>A key driving force was certainly the time of the pandemic, when teaching had to be ensured during lockdown. Video lectures and the provision of digital teaching materials were just the beginning. At TU Bergakademie Freiberg, the chemistry practical course was ensured throughout the entire pandemic period, which would not have been possible without the existing infrastructure of digital test stands. Today, the term “remote lab” is used for this, which is ideal at a time when real-time communication is becoming increasingly important and the 5G mobile communications standard has become a location factor. Much will also change in the chemical industry. The traditional control room will evolve into remote control rooms. Similar to call centers, it will be possible to book digital control room times with service providers. Training on such test benches prepares students for their everyday work as industrial chemists at an early stage. Other advantages, such as the continuation of teaching in terms of equal opportunities for pregnant women, show how much the digital transformation in education is closing long overdue gaps. New ways of communication are opening up in lectures, including the participation of foreign-language listeners on the basis of appropriate tools.</p><p>The articles in this special issue show the advanced state of university teaching in this country, especially in an international context, and how we can optimally prepare the young generation for the challenges of the future. This also includes methods such as gamification, some of which make experienced teaching staff's hair stand on end. They show how universities are once again taking on a much stronger role in shaping transformation processes. Experienced staff may face serious challenges in dealing with the new technologies. The example of artificial intelligence (AI) is pathognomonic. Instead of dismissing the possibilities of AI, falling into a defensive stance and coming up with sanctioning measures, it would have been a good idea to provide didactic support in dealing with AI at an early stage, impart knowledge and promote creativity.</p><p>The transformation towards a new self-image of universities is taking place at a rapid and dynamic pace. Students and teaching staff would do well to approach each other and see this tra","PeriodicalId":9912,"journal":{"name":"Chemie Ingenieur Technik","volume":"96 11","pages":"1447"},"PeriodicalIF":1.5,"publicationDate":"2024-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cite.202400116","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142524962","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}