On the thermodynamic stability of clathrate hydrate. I

1993 ◽  
Vol 98 (5) ◽  
pp. 4098-4109 ◽  
Author(s):  
Hideki Tanaka ◽  
Kenji Kiyohara
Keyword(s):  
Thermodynamic Stability ◽  
Clathrate Hydrate

Spectroscopy Identification and Thermodynamic Stability oftert-Butyl Nitrite and Methane Clathrate Hydrate

2010 ◽  
Vol 55 (12) ◽  
pp. 5906-5909 ◽  
Author(s):  
Boram Sung ◽  
Kyuchul Shin ◽  
Minjun Cha ◽  
Sukjeong Choi ◽  
Jaehyoung Lee ◽  
...  
Keyword(s):  
Thermodynamic Stability ◽  
Clathrate Hydrate ◽  
Methane Clathrate

Thermodynamic stability of hydrogen+tetra-n-butyl phosphonium bromide mixed semi-clathrate hydrate

2012 ◽  
Vol 68 (1) ◽  
pp. 660-662 ◽  
Author(s):  
Yuuya Fujisawa ◽  
Takaaki Tsuda ◽  
Shunsuke Hashimoto ◽  
Takeshi Sugahara ◽  
Kazunari Ohgaki
Keyword(s):  
Thermodynamic Stability ◽  
Clathrate Hydrate ◽  
Phosphonium Bromide

Hydrogen storage in trimethylamine hydrate: Thermodynamic stability and hydrogen storage capacity of hydrogen+trimethylamine mixed semi-clathrate hydrate

2010 ◽  
Vol 65 (5) ◽  
pp. 1616-1620 ◽  
Author(s):  
Kyohei Ogata ◽  
Takaaki Tsuda ◽  
Shingo Amano ◽  
Shunsuke Hashimoto ◽  
Takeshi Sugahara ◽  
...  
Keyword(s):  
Hydrogen Storage ◽  
Thermodynamic Stability ◽  
Storage Capacity ◽  
Clathrate Hydrate ◽  
Hydrogen Storage Capacity

Using a Software Application to Evaluation Thermodynamic Stability on the Example of Iron

2019 ◽  
Vol 24 (3) ◽  
pp. 309-312
Author(s):  
Aleksandr S. Gulyaev ◽  
◽  
Vladimir B. Koltsov ◽  
Elena A. Sevryukova ◽  
◽  
...  
Keyword(s):  
Thermodynamic Stability ◽  
Software Application

Theoretical and Experimental Evaluation of the Effect of Fluorinated Substituent on the Topological Landscape and Thermodynamic Stability of Zeolitic Imidazolate Framework Polymorphs

2018 ◽  
Author(s):  
Mihails Arhangelskis ◽  
Athanassis Katsenis ◽  
Novendra Novendra ◽  
Zamirbek Akimbekov ◽  
Dayaker Gandrath ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Mechanochemical Synthesis ◽  
Thermodynamic Stability ◽  
Experimental Evaluation ◽  
Density Functional ◽  
Theoretical Calculations ◽  
Zeolitic Imidazolate Framework ◽  
Functional Theory ◽  
Calorimetric Measurements ◽  
And Calorimetry

By combining mechanochemical synthesis and calorimetry with theoretical calculations, we demonstrate that dispersion-corrected periodic density functional theory (DFT) can accurately survey the topological landscape and predict relative energies of polymorphs for a previously inaccessible fluorine-substituted zeolitic imidazolate framework (ZIF). Experimental screening confirmed two out of three theoretically anticipated polymorphs, and the calorimetric measurements provided an excellent match to theoretically calculated energetic difference between them.<br>

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