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Impressum
SPP 1315: Interactions of organic pollutants with soil components - Elucidating mechanisms on a molecular level
Projekt
Förderkennzeichen: DFG SPP 1315
Laufzeit: 01.01.2007
- 31.12.2010
Forschungszweck: Grundlagenforschung
Hypotheses:
The behaviour of organic compounds on the microscale is distinctly influenced by interactions of these compounds on the nanoscale. Theoretical chemical methods can contribute to elucidating basic processes involved.
Aims:
a) Selection, improvement and development of simulation approaches.
b) Development of more realistic theoretical models for simulations of interactions
c) Prediction of thermodynamic and spectroscopic quantities and adsorption isotherms
d) Evaluation and linking of theoretical outcomes of the modelling to experimental results
e) The final objective is to develop new tools based on theoretical methods for a quick first assessment of the potential behaviour of new compounds in soil interfaces
Abschnittsübersicht
Fachgebiete
- Bodenkunde
