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Dissociation of methane under high pressure
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10.1063/1.3488102
/content/aip/journal/jcp/133/14/10.1063/1.3488102
http://aip.metastore.ingenta.com/content/aip/journal/jcp/133/14/10.1063/1.3488102

Figures

Image of FIG. 1.
FIG. 1.

The calculated equation of state compared with the experimental data (Refs. 4 and 12).

Image of FIG. 2.
FIG. 2.

(a)–(c) The predicted , , and structures of . (d)–(f) The predicted structures of , , and with space groups , , and , respectively. The large and small spheres represent C and H atoms, respectively.

Image of FIG. 3.
FIG. 3.

Enthalpy curves (relative to our predicted phase) for as a function of pressure without the zero-point corrections.

Image of FIG. 4.
FIG. 4.

The phase diagram of as a function of pressure and temperature. The solid lines are phase boundaries of different structures. The melting line of (the dashed-dotted line) (Ref. 10) and (the dotted line) (Ref. 37), and Uranus/Neptune adiabats (the dashed line) (Ref. 44) are also shown.

Tables

Generic image for table
Table I.

The zero-point vibrational energies (, electron volts/formula unit) for C (diamond), , , , , and at 200 GPa.

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/content/aip/journal/jcp/133/14/10.1063/1.3488102
2010-10-12
2014-04-25
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Dissociation of methane under high pressure
http://aip.metastore.ingenta.com/content/aip/journal/jcp/133/14/10.1063/1.3488102
10.1063/1.3488102
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