Paweł Siuda

Clathrate hydrates of gases: Molecular Dynamics and NMR parameters

Paweł Siuda, UW
Supervisor: prof. Joanna Sadlej (UW)

Clathrate hydrates of lower hydrocarbons and carbon dioxide are of increasing importance due to their recently proposed applications in climate protection and energy production. However, still little is known about formation mechanism and interplay of fundamental interactions guaranteeing their stability.
Both issues are addressed here. Computational study of NMR properties for wide range of structures found in most important clathrate hydrates is presented. Potential of such data in discrimination between different types of possible structures noted.
Phenomena related to nucleation and growth of crystal are studied for systems containing preseeded hydrate crystal or clay surface. Mechanism and kinetics of crystal formation is described at molecular level and the role of template surface, temperature and gas concentration is discussed.

Chairman - prof. Adam Proń (WUT)

Discussion