Using clathrate hydrates for gas storage and gas-mixture separations

experimental and computational studies at multiple length scales

Journal article (2018)

Authors

Ioannis N. Tsimpanogiannis National Centre for Scientific Research Demokritos
Joseph Costandy Texas A&M University at Qatar
Athanassios K. Stubos National Centre for Scientific Research Demokritos
Ioannis G. Economou Texas A&M University at Qatar
Panagiotis Kastanidis National Centre for Scientific Research Demokritos
Sally El Meragawi Texas A&M University at Qatar
Vasileios K. Michalis Texas A&M University at Qatar, National Centre for Scientific Research Demokritos
Nikolaos I. Papadimitriou National Centre for Scientific Research Demokritos
Stylianos N. Karozis National Centre for Scientific Research Demokritos
Nikolaos I. Diamantonis Texas A&M University at Qatar
O. Moultos Engineering Thermodynamics - Mechanical, Maritime and Materials Engineering
George E. Romanos National Centre for Scientific Research Demokritos
Research Group
Engineering Thermodynamics (Mechanical, Maritime and Materials Engineering) (TU Delft)
Molecular dynamics Experimental Clathrate hydrate Grand canonical Monte Carlo Three-phase equilibria
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Published Date

2018

Language

English

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Faculty

Mechanical, Maritime and Materials Engineering

Department

Process and Energy

Research Group

Engineering Thermodynamics

Abstract

Clathrate hydrates have characteristic properties that render them attractive for a number of industrial applications. Of particular interest are the following two cases: (i) the incorporation of large amounts of gas molecules into the solid structure has resulted in considering hydrates as possible material for the storage/transportation of energy or environmental gases, and (ii) the selective incorporation of guest molecules into the solid structure has resulted in considering hydrates for gas-mixture separations. For the proper design of such industrial applications, it is essential to know accurately a number of thermodynamic, structural and transport properties. Such properties can either be measured experimentally or calculated at different scales that span the molecular scale-up to the continuum scale. By using clathrate hydrates as a particular case study, we demonstrate that performing studies at multiple length scales can be utilised in order to obtain properties that are essential to process design.