Using clathrate hydrates for gas storage and gas-mixture separations: experimental and computational studies at multiple length scales

Ioannis N. Tsimpanogiannis, Joseph Costandy, Panagiotis Kastanidis, Sally El Meragawi, Vasileios K. Michalis, Nikolaos I. Papadimitriou, Stylianos N. Karozis, Nikolaos I. Diamantonis, Othonas A. Moultos, George E. Romanos, Athanassios K. Stubos, Ioannis Economou

Research output: Contribution to journalArticle

2 Citations (Scopus)

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.

Original languageEnglish
Pages (from-to)1-20
Number of pages20
JournalMolecular Physics
DOIs
Publication statusAccepted/In press - 16 May 2018

Fingerprint

clathrates
Hydrates
Gas mixtures
hydrates
gas mixtures
Gases
gases
Industrial applications
Thermodynamics
Molecules
Transport properties
Structural properties
molecules
Process design
Thermodynamic properties
thermodynamic properties
transport properties
continuums
energy

Keywords

  • Clathrate hydrate
  • experimental
  • grand canonical Monte Carlo
  • molecular dynamics
  • three-phase equilibria

ASJC Scopus subject areas

  • Biophysics
  • Molecular Biology
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

Cite this

Using clathrate hydrates for gas storage and gas-mixture separations : experimental and computational studies at multiple length scales. / Tsimpanogiannis, Ioannis N.; Costandy, Joseph; Kastanidis, Panagiotis; El Meragawi, Sally; Michalis, Vasileios K.; Papadimitriou, Nikolaos I.; Karozis, Stylianos N.; Diamantonis, Nikolaos I.; Moultos, Othonas A.; Romanos, George E.; Stubos, Athanassios K.; Economou, Ioannis.

In: Molecular Physics, 16.05.2018, p. 1-20.

Research output: Contribution to journalArticle

Tsimpanogiannis, IN, Costandy, J, Kastanidis, P, El Meragawi, S, Michalis, VK, Papadimitriou, NI, Karozis, SN, Diamantonis, NI, Moultos, OA, Romanos, GE, Stubos, AK & Economou, I 2018, 'Using clathrate hydrates for gas storage and gas-mixture separations: experimental and computational studies at multiple length scales', Molecular Physics, pp. 1-20. https://doi.org/10.1080/00268976.2018.1471224
Tsimpanogiannis, Ioannis N. ; Costandy, Joseph ; Kastanidis, Panagiotis ; El Meragawi, Sally ; Michalis, Vasileios K. ; Papadimitriou, Nikolaos I. ; Karozis, Stylianos N. ; Diamantonis, Nikolaos I. ; Moultos, Othonas A. ; Romanos, George E. ; Stubos, Athanassios K. ; Economou, Ioannis. / Using clathrate hydrates for gas storage and gas-mixture separations : experimental and computational studies at multiple length scales. In: Molecular Physics. 2018 ; pp. 1-20.
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