11:15 AM - 11:30 AM
[SIT22-21] He and Ar partitioning between liquid iron and molten silicate at high pressure
Keywords:Noble gas partitioning, Ab initio Calculation, Earth's core
Here we investigate the helium and argon partitioning between liquid iron and molten silicate using the ab initio molecular dynamics method combined with thermodynamics integration technique [Taniuchi and Tsuchiya, 2018]. The partitioning coefficients are computed from the Gibbs free energy changes associated with their exchange reactions. Although more detailed studies on several factors including temperature, pressure, and composition are required, our results in the moment suggest possible partitioning of helium and argon into liquid metal at high pressure. We will try to explain the behaviors from the electronic and structural points of view.