scholarly journals A Systematic Protocol for Benchmarking Guest-Host Interactions by First-Principles Computations: Capturing CO2 in Clathrate Hydrates

2018 ◽  
Vol 24 (37) ◽  
pp. 9353-9363 ◽  
Author(s):  
Daniel J. Arismendi-Arrieta ◽  
Álvaro Valdés ◽  
Rita Prosmiti
Keyword(s):  
First Principles ◽  
Clathrate Hydrates ◽  
Host Interactions

Guest–host interactions in gas clathrate hydrates under pressure

2015 ◽  
Vol 35 (1) ◽  
pp. 49-56 ◽  
Author(s):  
F. Izquierdo-Ruiz ◽  
A. Otero-de-la-Roza ◽  
J. Contreras-García ◽  
J.M. Menéndez ◽  
O. Prieto-Ballesteros ◽  
...  
Keyword(s):  
Clathrate Hydrates ◽  
Host Interactions

Structural transformation and tuning behavior induced by the propylamine concentration in hydrogen clathrate hydrates

2015 ◽  
Vol 17 (3) ◽  
pp. 1949-1956 ◽  
Author(s):  
Seongmin Park ◽  
Hyery Kang ◽  
Kyuchul Shin ◽  
Yutaek Seo ◽  
Huen Lee
Keyword(s):  
Structural Transformation ◽  
Clathrate Hydrates ◽  
Host Interactions

The structures and the guest–host distributions of propylamine hydrates provide useful information on the hydrophilic guest–host interactions in clathrate hydrates.

Phase diagrams for clathrate hydrates of methane, ethane, and propane from first-principles thermodynamics

2016 ◽  
Vol 18 (4) ◽  
pp. 3272-3279 ◽  
Author(s):  
Xiaoxiao Cao ◽  
Yingying Huang ◽  
Wenbo Li ◽  
Zhaoyang Zheng ◽  
Xue Jiang ◽  
...  
Keyword(s):  
Natural Gas ◽  
Phase Diagrams ◽  
Gas Hydrates ◽  
First Principles ◽  
Inclusion Compounds ◽  
Light Hydrocarbon ◽  
Clathrate Hydrates ◽  
Natural Gas Hydrates

Natural gas hydrates are inclusion compounds composed of major light hydrocarbon gaseous molecules (CH4, C2H6, and C3H8) and a water clathrate framework.

Guest–guest and guest–host interactions in ethanol, propan-1-ol, and propan-2-ol clathrate hydrate forming systems

2018 ◽  
Vol 42 (9) ◽  
pp. 7364-7370 ◽  
Author(s):  
Keita Yasuda ◽  
Ryo Ohmura ◽  
Amadeu K. Sum
Keyword(s):  
Raman Spectroscopy ◽  
Clathrate Hydrate ◽  
Clathrate Hydrates ◽  
Host Interactions

Guest–guest and guest–host interactions of clathrate hydrates including alcohols as guests were characterized by Raman spectroscopy.

Facilitating guest transport in clathrate hydrates by tuning guest-host interactions

2015 ◽  
Vol 142 (7) ◽  
pp. 074705 ◽  
Author(s):  
Igor L. Moudrakovski ◽  
Konstantin A. Udachin ◽  
Saman Alavi ◽  
Christopher I. Ratcliffe ◽  
John A. Ripmeester
Keyword(s):  
Clathrate Hydrates ◽  
Host Interactions
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