Molecular Dynamics of Methane Dissolution in Water and Formation of Methane Hydrate Structures
摘要
Abstract
This paper considers the interrelated subprocesses of dissolution and hydrate formation in a system consisting of a volume of water containing a large methane cluster. For this system, hydrate formation involves six characteristic stages. The stage of active formation of hydrate structures begins when a critical mole fraction of methane in solution is reached. The gas hydrate is formed from an intermediate amorphous phase characterized by a rearrangement of water rings and cages to accommodate the guest methane molecules.