Massively parallel molecular dynamics simulation of formation of clathrate-hydrate precursors at planar water-methane interfaces: Insights into heterogeneous nucleation

• Published in: The Journal of Chemical Physics
• Main Authors: English NJ, Lauricella M, Meloni S
• Other Authors: English, Nj, Lauricella, M, Meloni, S
• Format: Article in Journal/Newspaper
• Language: English
• Published: 2014
• Subjects: The Blob; Methane hydrate
• Online Access: http://hdl.handle.net/11392/2406350; https://doi.org/10.1063/1.4879777

The formation of methane-hydrate precursors at large planar water-methane interfaces has been studied using massively parallel molecular dynamics in systems of varying size from around 10 000 to almost 7 x 10(6) molecules. This process took two distinct steps. First, the concentration of solvated me...