mixed hydrate
Structure Selectivity of Mixed Gas Hydrates
A new paper from our group has been published. In this paper, we discuss crystal structure selection rules for mixed gas hydrates using extended van der Waals–Platteeuw (vdWP) theory. First, we propose an empirical rule that mechanically unstable structures of empty host lattices can be excluded using the vertex order parameter (VOP). Next, we examine how guest species and mixing ratio affect the crystal structure, and show that a trace second component can induce a phase transition, enabling exploration of new stable and metastable phases.
On the phase behaviors of CH4–CO2 binary clathrate hydrates`:` Equilibrium with aqueous phase
A new paper from our research group has been published. We explore the solubilities of guest CH4 and/or CO2 in the aqueous state coexisting with the corresponding hydrate. The equilibrium conditions are estimated by calculating the chemical potentials of water and guest species in the hydrate on the basis of a statistical mechanical theory using pairwise intermolecular potentials. This requires the least computational cost while covering a wide range of temperature, pressure, and composition of guest species, even for the binary hydrate.