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Updated: Mar 23, 2026

Protocol for Measuring the Thermal Properties of a Supercooled Synthetic Sand-water-gas-methane Hydrate Sample
Published on: March 21, 2016
Lattice constants of pure methane and carbon dioxide hydrates at low temperatures. Implementing quantum corrections
Joseph Costandy1, Vasileios K Michalis1, Ioannis N Tsimpanogiannis1
1Chemical Engineering Program, Texas A&M University at Qatar, P.O. Box 23874, Doha, Qatar.
Abstract:
We introduce a simple correction to the calculation of the lattice constants of fully occupied structure sI methane or carbon dioxide pure hydrates that are obtained from classical molecular dynamics simulations using the TIP4PQ/2005 water force field. The obtained corrected lattice constants are subsequently used in order to obtain isobaric thermal expansion coefficients of the pure gas hydrates that exhibit a trend that is significantly closer to the experimental behavior than previously reported classical molecular dynamics studies.
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