Does Confinement Enable Methane Hydrate Growth at Low Pressures? Insights from Molecular Dynamics Simulations

‘Flammable ice’ (methane hydrate) is estimated to be the largest source of unexploited hydrocarbon fuel. The ideal conditions for methane hydrate formation are low temperatures and high pressures, and thus they are typically found naturally in permafrost regions and marine sediments. Using atomistic molecular dynamics (MD) simulations, we have shown that microporous materials can promote the formation of methane hydrates at less demanding conditions due to confinement effects. Our study also offers insights into the formation mechanism of methane hydrates in such an environment.

https://pubs.acs.org/doi/10.1021/acs.jpcc.0c02246