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All-Atom Molecular Dynamics of Pure Water–Methane Gas Hydrate Systems under Pre-Nucleation Conditions: A Direct Comparison between Experiments and Simulations of Transport Properties for the Tip4p/Ice Water Model

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Published in 2022 at "Molecules"

DOI: 10.3390/molecules27155019

Abstract: (1) Background: New technologies involving gas hydrates under pre-nucleation conditions such as gas separations and storage have become more prominent. This has necessitated the characterization and modeling of the transport properties of such systems. (2)… read more here.

Keywords: gas; water; pre nucleation; nucleation conditions ... See more keywords