Effect of Guest Size on the Mechanical Properties and Molecular Structure of Gas Hydrates from First-Principles

The elastic and acoustic properties of several structure II gas hydrates with hydrocarbon guests (methane, ethane, propane, and isobutane) were investigated and quantified using density functional theory. The shear modulus of ethane–methane hydrates was found to be the highest among all investigated...

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Veröffentlicht in:	Crystal growth & design 2017-12, Vol.17 (12), p.6407-6416
Hauptverfasser:	Vlasic, Thomas M, Servio, Phillip D, Rey, Alejandro D
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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