Electrolyte Permeability in Plastic Ice VII

Abstract

Deep brines in water-rich planets form when electrolytes diffuse from the rocky interior through layers of thick dense ice such as ice VII and the hypothesized plastic ice VII. We perform classical molecular dynamics simulations of Li + , Na + , and K + alkali ions and F − and Cl − halide ions in plastic ice VII at conditions similar to water-rich super-Earths, icy moons, and ocean worlds. We find that plastic ice VII is permeable to electrolytes on geological timescales. Diffusion occurs via jumps between adjacent voids in the bcc crystal structure and is governed by molecular rotations. An exception to this mechanism is Na + which, at variance with other ions, can substitute water molecules on lattice positions. The bulk modulus of pristine plastic ice VII is dependent on the pace of molecular rotations: when the rotations are slow, the bulk modulus is 1 order of magnitude lower compared to the bulk modulus at conditions of fast rotations, hence providing direct evidence of the role of molecular rotations in determining elastic properties. Electrolytes affect the bulk modulus only at high-concentration conditions and slow molecular rotations. Our results show that plastic ice VII may facilitate the development of brines in water-rich planets and ocean worlds, with a clear significance for their potential to support exobiology and for the chemical evolution of their aqueous reservoirs.