Equation of state of the H2O, CO2, and H2O–CO2 systems up to 10 GPa and 2573.15K: Molecular dynamics simulations with ab initio potential surface

Author:

Duan Zhenhao,Zhang Zhigang

Publisher

Elsevier BV

Subject

Geochemistry and Petrology

Reference65 articles.

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2. Rattle: a “Velocity” version of the Shake algorithm for molecular dynamics calculations;Andersen;J. Comput. Phys.,1983

3. Experimental determination of CO2–H2O activity–composition relations at 600–1000°C and 6–14kbar by reversed decarbonation and dehydration reactions;Aranovich;Am. Mineral.,1999

4. Wide amplitude motion in the water–carbon dioxide and water–acetylene complexes;Block;J. Chem. Phys.,1992

5. Bodnar, R.J., 1985. Pressure–volume–temperature-composition (PVTX) properties of the system H2O–NaCl at elevated temperatures and pressures. PhD. dissertation. Penn. State Univ.

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