Monte Carlo simulations of water speciation in hydrated silica

GEOC 71

Kelly E. Anderson, Department of Chemistry, University of Minnesota, 207 Pleasant St. SE, Minneapolis, MN 55455, J. Ilja Siepmann, siepmann@chem.umn.edu, Department of Chemistry and Supercomputing Institute, University of Minnesota, 207 Pleasant St. SE, Minneapolis, MN 55455-0431, and Marc M. Hirschmann, Department of Geology and Geophysics, University of Minnesota, 310 Pillsbury Drive SE, Minneapolis, MN 55455.
Understanding the phase behavior and properties of hydrated liquid silica under extreme conditions is of interest for gaining insight into Earth materials. The high melting temperature of silica, though, makes it difficult to study this phase, particularly at high pressure. Using Monte Carlo simulations, we determine an equation of state for hydrated silica at extreme conditions (up to 6000 K and 1 GPa) and examine chemical speciation in this system.
 

Geochemistry Poster Session
6:00 PM-8:00 PM, Wednesday, August 22, 2007 BCEC -- Exhibit Hall - B2, Poster

Division of Geochemistry

The 234th ACS National Meeting, Boston, MA, August 19-23, 2007