Size dependence of the dissociation process of spherical hydrate particles via microsecond molecular dynamics simulations

Phys Chem Chem Phys. 2021 May 19;23(19):11180-11185. doi: 10.1039/d1cp01223a.

Abstract

The dissociation process of spherical sII mixed methane-propane hydrate particles in liquid hydrocarbon was investigated via microsecond-long molecular dynamics simulations. A strong dependence of the melting temperature on the particle size was found. Analysis in the context of the Gibbs-Thomson effect provided insights into the fundamental properties of gas hydrates.