Microsecond Simulations of Spontaneous Methane Hydrate Nucleation and Growth

Abstract

Methane's Path to Captivity The mutual repulsion of oil and water is well known. It is thus somewhat baffling that in arctic regions and in marine sediments, enormous quantities of methane lie trapped under pressure in surrounding cages of ice. Walsh et al. (p. 1095 , published online 8 October; see the Perspective by Debenedetti and Sarupria ) undertook extended simulations to probe the steps that guide these two normally incompatible molecules along convergent, rather than divergent, paths. Computed 2- and 5-microsecond trajectories trace the process of methane capture as ice crystals nucleate and ultimately assemble into a cage network.