Crystal growth simulations of methane hydrates in the presence of silica surfaces

Abstract

We present a molecular dynamics simulation study of the crystal growth of methane hydrates in the presence of model silica (SiO₂) surfaces. The crystal growth under apparent steady-state conditions shows a clear preference for bulk solution. We observe rather disordered water arrangements very close to the silica surface within about 5 Å in both liquid and crystalline regions of the system. These disordered structures have dynamic and structural properties intermediate between those exhibited by molecules in bulk liquid and crystalline phases. The presence of methane molecules appears to help stabilize these structures. We observe that under appropriate conditions, the hydroxylated silica surfaces can serve as a source of methane molecules which can help promote hydrate growth near the surfaces.