| title: |
Quantum-chemical Studies of Impurities in Solid Phosphates |
| reg no: |
ETF5907 |
| project type: |
Estonian Science Foundation research grant |
| subject: |
1.6. Physical, Analytical and Inorganic Chemistry
|
| status: |
accepted |
| institution: |
TTU Faculty of Science |
| head of project: |
Toomas Tamm |
| duration: |
01.01.2004 - 31.12.2006 |
| description: |
Ionic substitutions and absorbed molecules have significant influence on the absorption and ion exchange properties of solid phosphates. A vast body of empirical data exists in the area, but a fundamental approach to this data is lacking. In the framework of this project, the quantum-chemical methodology designed for modelling of periodic systems shall be applied to the study of formation and interaction of defects in ionically substituted phosphates and to create a theoretical foundation to the experimentally observed changes in the ion-exchange and absorption properties of phosphates. |