{"title":"AutoVap: An Interactive Machine Learning Tool for Predicting the Standard Enthalpy of Vaporization","authors":"José Ferraz-Caetano","doi":"10.1002/cite.70111","DOIUrl":"https://doi.org/10.1002/cite.70111","url":null,"abstract":"<p>This communication introduces AutoVap (https://autovap.jfcaetano.com), an interactive web application for predicting the standard molar enthalpy of vaporization (Δ<sub>vap</sub><i>H</i><sub>m</sub>°) of chemical structures. Built on an implementation of a supervised machine learning model with RDKit-derived descriptors, AutoVap achieves predictions with a <i>R</i><sup>2</sup> test of 96%, across diverse chemical families. The platform allows users to input SMILES notation and obtain both predictions and associated uncertainties through a simple interface. Its validated accuracy and interpretability highlight AutoVap as a reliable and accessible tool, with the potential to advance applications in thermodynamic property estimation, reaction yield prediction, and molecular design.</p>","PeriodicalId":9912,"journal":{"name":"Chemie Ingenieur Technik","volume":"98 10","pages":"650-655"},"PeriodicalIF":1.6,"publicationDate":"2026-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cite.70111","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149100534","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}
Thomas Welter, Jan Mackel, Niklas Döring, Hilario Vidal
{"title":"An Analytical Design Model of a Vacuum Pressure Swing Adsorption Process for Biogas Upgrading","authors":"Thomas Welter, Jan Mackel, Niklas Döring, Hilario Vidal","doi":"10.1002/cite.70127","DOIUrl":"https://doi.org/10.1002/cite.70127","url":null,"abstract":"<p>An analytical plant design model was developed to describe the quasi-stationary state of vacuum pressure swing adsorption (VPSA) process for upgrading biogas (CO<sub>2</sub> and CH<sub>4</sub>) to biomethane (CH<sub>4</sub>). A reduced VPSA cycle comprising the steps adsorption, depressurization, and evacuation was considered, using a model biogas with 50% CO<sub>2</sub> in 50% CH<sub>4</sub>. The mass balance for the gas phase was formulated using a simplified advection-reaction approach and for the solid phase using the Linear Driving Force (LDF) model. The steady-state model serves as a basis for process design and optimization, allowing the determination of the required bed height as a function of the target product purity.</p>","PeriodicalId":9912,"journal":{"name":"Chemie Ingenieur Technik","volume":"98 10","pages":"641-649"},"PeriodicalIF":1.6,"publicationDate":"2026-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cite.70127","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149100711","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":"Kosten zur CO2-Abscheidung hinter Abfallverbrennungsanlagen\u0000 Costs for CO2-capture downstream of waste incineration plants","authors":"Rudi H. Karpf, Michael Beckmann","doi":"10.1002/cite.70089","DOIUrl":"https://doi.org/10.1002/cite.70089","url":null,"abstract":"<p>Steigende CO<sub>2</sub>-Preise könnten CO<sub>2</sub>-Abscheidung in Abfallverbrennungsanlagen wirtschaftlich machen. Technisch dominieren Post-Combustion-Verfahren (Amin, Pottasche), jedoch mit hohem Energiebedarf und Standortanforderungen. Gesamtkosten liegen derzeit bei 200–300 €/t CO<sub>2</sub> und übersteigen Zertifikatspreise deutlich.\u0000\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure></p>","PeriodicalId":9912,"journal":{"name":"Chemie Ingenieur Technik","volume":"98 10","pages":"656-661"},"PeriodicalIF":1.6,"publicationDate":"2026-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149100638","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}