Formation and Decomposition Mechanisms for Clathrate Hydrates

摘要: Abstract Large-scale nanosecond classical molecular dynamics calculations have been employed to simulate initial clathrate hydrate formation. Preferential formation of small (512) cages in the stages is not found. This observation compared recent NMR observations on preceding crystallization process. The result seems support experimental that structure II SF6 does require occupation cages. decomposition mechanism gas hydrates has investigated using dynamics. ‘preservation effect’ inhibits at temperatures above its thermodynamic melting or points may be explained with a phenomenological model assuming thin ice crust layer.