Eighth Year Report 2009
Carbon Storage: Molecular Simulation of CO2 Hydrate Formation and of Ice Nucleation
The Debenedetti group is leading a project involving the application of atomistic molecular simulation to the investigation of the thermodynamic stability of CO2 hydrates over broad ranges of temperature and pressure.
Perturbations on hydrate stability caused by conditions relevant to CO2 storage, such as confinement in pores and the presence of salts, are also being investigated. A second aspect of this research involves the use of molecular simulation techniques to investigate the mechanisms and rates of ice nucleation in the atmosphere under broad ranges of temperatures and supersaturations. Both homogeneous and heterogeneous nucleation are being studied.