W

Waage

2 records found

Molecular Monte Carlo simulations are used to compute the three-phase (hydrate-liquid water-gas) equilibrium lines of methane and carbon dioxide hydrates, using the Transferable Potentials for Phase Equilibria model for carbon dioxide, the united atom optimized potential for liqu ...
The transport of gas molecules in hydrates is presently poorly understood. In sII structured hydrates with hydrogen guests there is, for instance, a mismatch between experimental and computed values for diffusion constants. We provide an explanation for the experimentally observe ...