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Accurate description of phase diagram of clathrate hydrates at the molecular level
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10.1063/1.3276282
/content/aip/journal/jcp/131/24/10.1063/1.3276282
http://aip.metastore.ingenta.com/content/aip/journal/jcp/131/24/10.1063/1.3276282
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Pressure dependence of the chemical potentials of water molecules at for empty and hydrogen CS-II hydrates excluding the entropy terms at various degrees of cavity filling by hydrogen molecules.

Image of FIG. 2.
FIG. 2.

Degree of filling of the small ( dashed, solid lines) and the large ( dash-dotted, short dashed, dash-dot-dotted, and dotted lines) cavities of the hydrogen CS-II hydrate at (a) 160 K, (b) 200 K, (c) 230 K, and (d) 260 K.

Image of FIG. 3.
FIG. 3.

Pressure dependence of the chemical potentials of water molecules at for (solid line), empty CS-II hydrate (dotted line) and hydrogen CS-II hydrates including (dashed line) and excluding (dash-dotted line) the entropy terms.

Image of FIG. 4.
FIG. 4.

The phase diagram of system related to -CS-II transition. Experimental data were taken from Ref. 63 (crosses) and Ref. 64 (open and filled circles). The dotted line presents ice -liquid water equilibrium phase transition.

Image of FIG. 5.
FIG. 5.

Hydrogen storage capacity of the CS-II hydrogen hydrate as a function of pressure for various temperatures.

Image of FIG. 6.
FIG. 6.

Degree of filling of the small and large cavities of the CS-II hydrate at a propane concentrations of 0.01% (a), 0.1% (b), 1% (c), and 2% (d) in the gas phase at .

Image of FIG. 7.
FIG. 7.

Degree of filling of the small and large cavities of the CS-II hydrate at a propane concentrations of 0.01% (a), 0.1% (b), 1% (c), and 2% (d) in the gas phase at .

Image of FIG. 8.
FIG. 8.

Pressure dependence of the chemical potentials of water molecules at for , CS-II hydrates including the entropy terms at various propane concentration in the gas phase.

Image of FIG. 9.
FIG. 9.

The phase diagram of the system related to -CS-II transition at various propane concentrations in the gas phase. The experimental results are represented by circles (Ref. 65 ).

Image of FIG. 10.
FIG. 10.

Hydrogen storage capacity of the CS-II hydrate as a function of pressure for various propane concentrations at (a) , (b) , (c) , and (d) .

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/content/aip/journal/jcp/131/24/10.1063/1.3276282
2009-12-29
2014-04-21
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Accurate description of phase diagram of clathrate hydrates at the molecular level
http://aip.metastore.ingenta.com/content/aip/journal/jcp/131/24/10.1063/1.3276282
10.1063/1.3276282
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