bei Google ScholarTitelangaben
Raßpe-Lange, Lukas ; Latz, Filip ; Solbach, Florian ; Hemprich, Carl ; Roskosch, Dennis ; Leonhard, Kai:
A Computer-Aided Molecular Design Approach for Safe and Sustainable Refrigerants and Fire Extinguishing Agents.
In:
Proceedings 11th European Combustion Meeting 2023. -
Rouen
,
2023
Abstract
Fire extinguishing agents (FEAs) and refrigerants became subject to strict regulations in past years to reduce emissions of greenhouse gases and substances depleting the ozone layer. Identifying ideal hydrofluorocarbons (HFCs) with zero ozone depletion potential (ODP), reduced global warming potential (GWP) and low flammability remains a challenge. In this work, we combine a computer-aided molecular design (CAMD) framework with quantum mechanics (QM)- based models for the prediction of GWP and flammability. We apply the framework to a case study to search for novel substances that can be used as FEAs.
Weitere Angaben
| Publikationsform: | Aufsatz in einem Buch |
|---|---|
| Begutachteter Beitrag: | Ja |
| Institutionen der Universität: | Fakultäten > Fakultät für Ingenieurwissenschaften > Lehrstuhl Technische Thermodynamik und Transportprozesse |
| Titel an der UBT entstanden: | Nein |
| Themengebiete aus DDC: | 600 Technik, Medizin, angewandte Wissenschaften > 620 Ingenieurwissenschaften |
| Eingestellt am: | 06 Okt 2026 07:23 |
| Letzte Änderung: | 06 Okt 2026 07:23 |
| URI: | https://eref.uni-bayreuth.de/id/eprint/99537 |