Shock-Induced Devolatilization of Phlogopite, an Archetypical Phyllosilicate

Abstract

The formation and evolution of rocky planets such as the Earth are marked by the heavy bombardments that dominated the first parts of the accretions. The outcomes of the large and giant impacts depend on the critical points and liquid-vapor equilibria of the constituent materials. Several determinations of the positions of the critical points have been conducted in the last few years, but they have mainly focused on systems devoid of volatiles. Here, we study, for the first time, a volatile-rich ubiquitous model mineral, phlogopite. For this, we employ ab initio molecular dynamics simulations. Its critical point is constrained in the 0.40–0.68 g/cm³ density range and 5,000–5,500 K temperature range. This shows that adding volatiles decreases the critical temperature of silicates while having a smaller effect on the critical density. The vapor phase that forms under cooling from the supercritical state is dominated by hydrogen, present in the form of H₂O, H, OH, with oxygen and various F-bearing phases coming next. Our simulations show that up to 93% of the total hydrogen is retained in the silicate melt. Our results suggest that early magma oceans must have been hydrated. In particular for the Moon's history, even if catastrophic dehydrogenation occurred during the cooling of the lunar magma ocean, the amount of water incorporated during its formation could have been sufficient to explain the amounts of water found today in the last lunar samples.