Thermodynamic modeling for clathrate hydrates of ozone

S. Muromachi, H. D. Nagashima, J. M. Herri, Ryo Ohmura

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

We report a theoretical study to predict the phase-equilibrium properties of ozone-containing clathrate hydrates based on the statistical thermodynamics model developed by van der Waals and Platteeuw. The Patel-Teja-Valderrama equation of state is employed for an accurate estimation of the properties of gas phase ozone. We determined the three parameters of the Kihara intermolecular potential for ozone as a = 6.815 · 10-2 nm, σ = 2.9909 · 10-1 nm, and ε · kB -1 = 184.00 K. An infinite set of ε-σ parameters for ozone were determined, reproducing the experimental phase equilibrium pressure-temperature data of the (O3 + O2 + CO2) clathrate hydrate. A unique parameter pair was chosen based on the experimental ozone storage capacity data for the (O3 + O2 + CCl4) hydrate that we reported previously. The prediction with the developed model showed good agreement with the experimental phase equilibrium data within ±2% of the average deviation of the pressure. The Kihara parameters of ozone showed slightly better suitability for the structure-I hydrate than CO2, which was used as a help guest. Our model suggests the possibility of increasing the ozone storage capacity of clathrate hydrates (∼7% on a mass basis) from the previously reported experimental capacity (∼1%).

Original languageEnglish
Pages (from-to)193-197
Number of pages5
JournalJournal of Chemical Thermodynamics
Volume64
DOIs
Publication statusPublished - 2013
Externally publishedYes

Fingerprint

Ozone
clathrates
Hydrates
hydrates
ozone
Thermodynamics
thermodynamics
Phase equilibria
Statistical mechanics
Equations of state
equations of state
Gases
vapor phases
deviation
predictions

Keywords

  • Carbon dioxide
  • Clathrate hydrate
  • Oxygen
  • Ozone
  • Phase equilibrium
  • Thermodynamic model

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Atomic and Molecular Physics, and Optics
  • Materials Science(all)

Cite this

Thermodynamic modeling for clathrate hydrates of ozone. / Muromachi, S.; Nagashima, H. D.; Herri, J. M.; Ohmura, Ryo.

In: Journal of Chemical Thermodynamics, Vol. 64, 2013, p. 193-197.

Research output: Contribution to journalArticle

Muromachi, S. ; Nagashima, H. D. ; Herri, J. M. ; Ohmura, Ryo. / Thermodynamic modeling for clathrate hydrates of ozone. In: Journal of Chemical Thermodynamics. 2013 ; Vol. 64. pp. 193-197.
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