Investigation into stability and interfacial properties of CO2 hydrate-aqueous fluid system
We applied the techniques of Molecular Dynamics (MD) to study the structural and dynamic properties of a stable interface between CO2 hydrate and aqueous solution. The steady-state interface thickness was evaluated from a set of criteria, with the decay of hydrogen signature being the leading one. Applying the criteria has yielded an interface width of about 10 angstrom. (C) 2009 Elsevier Ltd. All rights reserved.
carbon dioxide hydrate carbon dioxide water molecular modeling