{"title":"Von Radikal-Chemie bis Bioplastik: GDCh-Preisträger auf dem Science Forum Chemistry 2025","authors":"","doi":"10.1002/cite.70005","DOIUrl":"https://doi.org/10.1002/cite.70005","url":null,"abstract":"","PeriodicalId":9912,"journal":{"name":"Chemie Ingenieur Technik","volume":"97 7","pages":"672-673"},"PeriodicalIF":1.5,"publicationDate":"2025-07-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144589802","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Im Gedenken an Prof. Dr. Peter Claus","authors":"","doi":"10.1002/cite.70006","DOIUrl":"https://doi.org/10.1002/cite.70006","url":null,"abstract":"","PeriodicalId":9912,"journal":{"name":"Chemie Ingenieur Technik","volume":"97 7","pages":"674-675"},"PeriodicalIF":1.5,"publicationDate":"2025-07-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144589803","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Dr. Jan Schwientek, Dr. Katrin Teichert, Jan Schröder, Dr. Johannes Höller, Dr. Norbert Asprion, Dr. Pascal Schäfer, Dr. Martin Wlotzka, Prof.Dr. Michael Bortz
Model-based process design and operation involves here-and-now and wait-and-see decisions. Here-and-now decisions include design variables like the size of heat exchangers or the height of distillation columns, whereas wait-and-see decisions are directed towards operational variables like reflux and split ratios. In this contribution, we describe how to deal with these different types of decisions in a multicriteria framework, offering an adjustability for the wait-and-see variables while at the same time respecting optimality guarantees on process key performance indicators (KPIs).
{"title":"Pareto-Optimal Treatment of Uncertainties in Model-Based Process Design and Operation","authors":"Dr. Jan Schwientek, Dr. Katrin Teichert, Jan Schröder, Dr. Johannes Höller, Dr. Norbert Asprion, Dr. Pascal Schäfer, Dr. Martin Wlotzka, Prof.Dr. Michael Bortz","doi":"10.1002/cite.70012","DOIUrl":"https://doi.org/10.1002/cite.70012","url":null,"abstract":"<p>Model-based process design and operation involves here-and-now and wait-and-see decisions. Here-and-now decisions include design variables like the size of heat exchangers or the height of distillation columns, whereas wait-and-see decisions are directed towards operational variables like reflux and split ratios. In this contribution, we describe how to deal with these different types of decisions in a multicriteria framework, offering an adjustability for the wait-and-see variables while at the same time respecting optimality guarantees on process key performance indicators (KPIs).</p>","PeriodicalId":9912,"journal":{"name":"Chemie Ingenieur Technik","volume":"97 11-12","pages":"1057-1064"},"PeriodicalIF":1.6,"publicationDate":"2025-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cite.70012","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145449997","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}
Phenol is an important chemical commodity utilized for several applications (e.g., polycarbonates, epoxy and phenolic resins, nylon). Its production starts from benzene and propylene and is based on a series of reaction steps. Among them the acid cleavage of cumyl hydroperoxide is characterized by the high reaction rate of the main reaction, together with a number of side reactions. During the 1980s a thorough kinetic study has been carried out by the researchers of Montedipe S.p.A. This activity led to the development of a comprehensive kinetic model including 14 differential equations and 15 parameters, then utilized for process operations and unit design. A review of the strategy adopted for the experimental activities is provided along with a discussion on model identification and parameter estimation.a
{"title":"Kinetics of the Cumyl Hydroperoxide Acid Cleavage: A Case Study","authors":"Carlo Perego","doi":"10.1002/cite.70008","DOIUrl":"https://doi.org/10.1002/cite.70008","url":null,"abstract":"<p>Phenol is an important chemical commodity utilized for several applications (e.g., polycarbonates, epoxy and phenolic resins, nylon). Its production starts from benzene and propylene and is based on a series of reaction steps. Among them the acid cleavage of cumyl hydroperoxide is characterized by the high reaction rate of the main reaction, together with a number of side reactions. During the 1980s a thorough kinetic study has been carried out by the researchers of Montedipe S.p.A. This activity led to the development of a comprehensive kinetic model including 14 differential equations and 15 parameters, then utilized for process operations and unit design. A review of the strategy adopted for the experimental activities is provided along with a discussion on model identification and parameter estimation.a</p>","PeriodicalId":9912,"journal":{"name":"Chemie Ingenieur Technik","volume":"97 10","pages":"974-985"},"PeriodicalIF":1.6,"publicationDate":"2025-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145284717","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Marco Hoffmann, Thomas Specht, Nicolas Hayer, Hans Hasse, Fabian Jirasek
Machine learning (ML) enables the development of powerful methods for predicting thermophysical properties, but technical barriers like cumbersome implementation in established workflows hinder their application in practice. With MLPROP, we provide a web interface to predict thermophysical properties with advanced ML methods. MLPROP includes models for predicting the vapor pressure of pure components (GRAPPA), activity coefficients and vapor-liquid equilibria in binary mixtures (UNIFAC 2.0, mod. UNIFAC 2.0, and HANNA), and a routine to fit NRTL parameters to the model predictions. MLPROP will be continuously updated and extended and is accessible via https://ml-prop.mv.rptu.de/. The source code of all models is available as open source, which allows integration into existing workflows.
{"title":"MLPROP – An Interactive Web Interface for Thermophysical Property Prediction with Machine Learning","authors":"Marco Hoffmann, Thomas Specht, Nicolas Hayer, Hans Hasse, Fabian Jirasek","doi":"10.1002/cite.70004","DOIUrl":"https://doi.org/10.1002/cite.70004","url":null,"abstract":"<p>Machine learning (ML) enables the development of powerful methods for predicting thermophysical properties, but technical barriers like cumbersome implementation in established workflows hinder their application in practice. With MLPROP, we provide a web interface to predict thermophysical properties with advanced ML methods. MLPROP includes models for predicting the vapor pressure of pure components (GRAPPA), activity coefficients and vapor-liquid equilibria in binary mixtures (UNIFAC 2.0, mod. UNIFAC 2.0, and HANNA), and a routine to fit NRTL parameters to the model predictions. MLPROP will be continuously updated and extended and is accessible via https://ml-prop.mv.rptu.de/. The source code of all models is available as open source, which allows integration into existing workflows.</p>","PeriodicalId":9912,"journal":{"name":"Chemie Ingenieur Technik","volume":"97 11-12","pages":"1052-1056"},"PeriodicalIF":1.6,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cite.70004","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145449806","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}
Prof. Dr. Ingela Tietze, Prof. Dr. Claus Lang-Koetz, Alexandra Vogt, Dr. Philipp Preiss, Dr. Daniel Schühle, Dr. Norman Poboß, Paula Almeyra Diaz, Dr. Michael Krutwig, Dr. Christian Haubach
An integrative resource efficiency management approach supports small and medium-sized enterprises (SMEs) in the chemical industry in systematically embedding resource efficiency and circular economy principles. A structured management approach combined with a central responsibility is a key success factor. A digital platform, a practical evaluation model, and technology scouting further facilitate implementation. Further responsibilities in the individual company departments, data availability, and goal tracking are specifically addressed, enabling companies to better exploit both ecological and economic potential.
{"title":"Handlungsempfehlungen für integratives Ressourceneffizienzmanagement in KMU der chemischen Industrie\u0000 Guidelines for Integrative Resource Efficiency Management in Chemical SMEs","authors":"Prof. Dr. Ingela Tietze, Prof. Dr. Claus Lang-Koetz, Alexandra Vogt, Dr. Philipp Preiss, Dr. Daniel Schühle, Dr. Norman Poboß, Paula Almeyra Diaz, Dr. Michael Krutwig, Dr. Christian Haubach","doi":"10.1002/cite.70003","DOIUrl":"https://doi.org/10.1002/cite.70003","url":null,"abstract":"<p>An integrative resource efficiency management approach supports small and medium-sized enterprises (SMEs) in the chemical industry in systematically embedding resource efficiency and circular economy principles. A structured management approach combined with a central responsibility is a key success factor. A digital platform, a practical evaluation model, and technology scouting further facilitate implementation. Further responsibilities in the individual company departments, data availability, and goal tracking are specifically addressed, enabling companies to better exploit both ecological and economic potential.</p>","PeriodicalId":9912,"journal":{"name":"Chemie Ingenieur Technik","volume":"97 10","pages":"1017-1025"},"PeriodicalIF":1.6,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cite.70003","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145284842","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}