Gas hydrates usually form two crystallographic cubic structures: structure (Type) I (named sI) and structure (Type) II (named sII) of space groups and respectively. A third hexagonal structure of space group may also be observed (Type H). The unit cell of Type I consists of 46 water molecules, forming two types of cages – small and large. The unit cell contains two small cages and six large … Web15 dec. 2024 · Since the hydrate cages are positioned by guest molecules, this approach has the advantage of dealing with empty cage defects. 2.1.5. ICO algorithm. Based on a …
Cage occupancies, lattice constants, and guest chemical potentials …
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