4:00 PM - 4:15 PM
[SIT06-21] Ab initio prediction of potassium partitioning into the Earth’s core
Keywords:Ab-initio simulation, Potassium, Core Mantle Boundary
In this study, ab-initio molecular dynamics simulations are performed to investigate whether and how much K can enter the metallic system. K partition coefficients are determined by Gibbs free energy changes of its exchange reactions between silicate and metallic systems. Helmholtz free energy is obtained based on “thermodynamic integration” by computing the difference between two systems with different potential energy functions.
Our preliminary results show that the K content entered into the core is limited, though it would be affected by the temperature, pressure, composition of the metallic (the type and content of light elements) and silicate system (NBO/T).