Molecular Dynamics in the Energy Sector: Experiment and Modeling of the CO2/CH4 Mixture
| Document Type: | Article |
|---|---|
| Language: | English |
| Author: | Martin R. Schenk, Thorsten Köddermann, Karl N. Kirschner, Sandra Knauer, Dirk Reith |
| Parent Title (English): | Journal of Chemical & Engineering Data |
| Volume: | 65 |
| Issue: | 3 |
| First Page: | 1117 |
| Last Page: | 1123 |
| ISSN: | 0021-9568 |
| DOI: | https://doi.org/10.1021/acs.jced.9b00503 |
| Publisher: | American Chemical Society (ACS) |
| Date of first publication: | 2019/10/08 |
| Copyright: | © 2019 American Chemical Society |
| Funding Information: | This work was funded by the German Federal Ministry of Education and Research (BMBF, funding number 01IH13005E) in project "SkaSim". All computations were performed on the Bonn-Rhein-Sieg University of Applied Sciences' High Performance Computing cluster that is funded by the BMBF and the Ministry for Culture and Science of Northrhine-Westfalia (funding number 13FH156IN6). |
| Departments, institutes and facilities: | Fachbereich Ingenieurwissenschaften und Kommunikation |
| Institut für Technik, Ressourcenschonung und Energieeffizienz (TREE) | |
| Projects: | Verbundprojekt SkaSim: Skalierbare HPC-Software für molekulare Simulationen in der chemischen Industrie (DE/BMBF/01IH13005B) |
| EI-HPC - Enabling Infrastructure for HPC-Applications (DE/BMBF/13FH156IN6) | |
| Dewey Decimal Classification (DDC): | 5 Naturwissenschaften und Mathematik / 54 Chemie / 540 Chemie und zugeordnete Wissenschaften |
| Fields of research: | Institut für Technik, Ressourcenschonung und Energieeffizienz (TREE) / Forschungsfeld Modellbildung und Simulation |
| Institut für Technik, Ressourcenschonung und Energieeffizienz (TREE) / Arbeitsgruppe Computational Chemistry | |
| Entry in this database: | 2019/10/16 |
