Role of Methane as a Second Guest Component in Thermodynamic Stability and Isomer Selectivity of Butane Clathrate Hydrates

• Published in: Journal of physical chemistry. C Vol. 124; no. 34; pp. 18474 - 18481
• Main Authors: Belosludov, Rodion V, Zhdanov, Ravil K, Gets, Kirill V, Bozhko, Yulia Yu, Belosludov, Vladimir R, Kawazoe, Y
• Format: Journal Article
• Language: English
• Published: American Chemical Society 27.08.2020
• Subjects: C: Energy Conversion and Storage; Energy and Charge Transport

The role of guest–guest and guest–host interactions has been studied in the case of butane-based hydrates. It has been shown that these interactions are different for n-butane and iso-butane isomers. First-principles calculations reveal the weaker interaction of the linear trans-n-butane molecules w...