Ab initio predictions of potassium partitioning between Fe and Al-bearing MgSiO3 perovskite and post-perovskite

Details Ab initio predictions of potassium partitioning between Fe and Al-bearing MgSiO3 perovskite and post-perovskite Ab initio predictions of potassium partitioning between Fe and Al-bearing MgSiO3 perovskite and post-perovskite

May 2009

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2009pepi..174..247l&link_type=abstract

Physics of the Earth and Planetary Interiors, Volume 174, Issue 1-4, p. 247-253.

Physics

2

Scientific paper

Ab initio quantum mechanical computations suggest that potassium (K) preferentially partitions into MgSiO3 perovskite (pv) over post-perovskite (ppv) under lower mantle conditions when charge coupled with trivalent cations of aluminum (Al3+) or iron (Fe3+). In an Al-bearing MgSiO3, the equilibrium constant KD increases with pressure, leveling off at ˜33 at ˜100 GPa and 3000 K. For an Fe-bearing MgSiO3, KD slowly increases with pressure reaching a value of ˜8 at core-mantle boundary (CMB) pressures and 3000 K. Our results imply that a potassium-enriched lowermost mantle layer based on the stability of ppv is unlikely.

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