| dc.contributor.author | Özen, Alimet Sema | |
| dc.contributor.author | Akdeniz, Zehra | |
| dc.date.accessioned | 2023-02-09T07:15:10Z | |
| dc.date.available | 2023-02-09T07:15:10Z | |
| dc.date.issued | 2022 | en_US |
| dc.identifier.citation | ÖZEN, A. S., & AKDENİZ, Z. (2022). Dissolution of Alumina in Cryolite Melts: A Conceptual DFT Study. Turkish Journal of Physics, 46(6), p. 228-238. | en_US |
| dc.identifier.issn | 13000101 | |
| dc.identifier.uri | https://hdl.handle.net/20.500.12960/1472 | |
| dc.description.abstract | Interactions between alumina and cryolite clusters were investigated using chemical reactivity descriptors based on conceptual DFT such as global hardness, η, global softness, S, fukui functions, f, and local softness, s. Hard and Soft Acids and Bases (HSAB) Principle was applied for identifying clusters that are most likely to interact with alumina, Al2O3. Local reactivity descriptors were employed to predict the most probable regions of interaction within the cluster. | en_US |
| dc.language.iso | eng | en_US |
| dc.publisher | Tübitak | en_US |
| dc.relation.ispartof | Turkish Journal of Physics | en_US |
| dc.relation.isversionof | 10.55730/1300-0101.2729 | en_US |
| dc.rights | info:eu-repo/semantics/openAccess | en_US |
| dc.subject | Charged clusters | en_US |
| dc.subject | Cryolite-Al2O3 | en_US |
| dc.subject | DFT | en_US |
| dc.subject | Fukui functions | en_US |
| dc.title | Dissolution of alumina in cryolite melts: a conceptual DFT study | en_US |
| dc.type | article | en_US |
| dc.authorid | 0000-0002-0178-9854 | en_US |
| dc.department | Denizcilik Fakültesi, Deniz Ulaştırma İşletme Mühendisliği Bölümü | en_US |
| dc.contributor.institutionauthor | Özen, Alimet Sema | |
| dc.identifier.volume | 46 | en_US |
| dc.identifier.issue | 6 | en_US |
| dc.identifier.startpage | 228 | en_US |
| dc.identifier.endpage | 238 | en_US |
| dc.relation.publicationcategory | Makale - Ulusal Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
