Clathrates are non-stoichiometric compounds made from host and guest molecules. Guest molecules are encaged in cages made of host water molecules in clathrate hydrates. The thermodynamic stability of clathrate hydrates depends on both the guest species and the external conditions of the guest phase in equilibrium with clathrate hydrates. In this study, we explore a method for estimating the stable region of clathrate hydrate at given conditions. We consider a phase equilibrium between a gas hydrate and pure substance either water or guest species, the latter of which is one of natural gases, methane, ethane, or pentane from a set of intermolecular interaction. The stability of these phases can be estimated by evaluating the chemical potential of water as a function of composition and it is found that there is a narrow region where only clathrate hydrate is stable.

Estimating the stable region of clathrate hydrate

248th National Meeting (2014)

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