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Chemical equilibrium between Cores, Mantles, and Atmospheres of Super-Earths and Sub-Neptunes, and Implications for their Compositions, Interiors and Evolution

We investigate equilibrium chemistry between molten metal and silicate, and a hydrogen-rich envelope using 18 independent reactions among 25 phase components for sub-Neptune-like exoplanets. Both reactive metal and unreactive metal sequestered in an isolated core are modeled. The overarching effects of equilibration are oxidation of the envelope and reduction of the mantle and core. Hydrogen and oxygen typically comprise significant fractions of metal cores at chemical equilibrium, leading to density deficits that offer a possible alternative explanation for the low densities of the Trappist-1 planets. Reactions with the magma ocean produce significant amounts of SiO and H$_2$O in the envelopes directly above the magma ocean. Molar concentrations in the envelopes of planets with reactive metal are H$_2>\rm{SiO}>CO\sim\rm{Na}\sim\rm{Mg}>\rm{H}_2\rm{O}>>\rm{CO}_2\sim\rm{CH}_4>>\rm{O}_2$ while for the unreactive metal case H$_2$O becomes the second most abundant species, after H$_2$, providing an arbiter for the two scenarios amenable to observation. The water abundances in the atmospheres exceed those in the mantles by at least an order of magnitude in both scenarios. The water concentrations in the silicate mantles are $\sim 0.01$ wt\% and $\sim 0.1$ wt\% in the reactive and unreactive metal core cases, respectively, limiting the H$_2$O that might be outgassed in a future super-Earth. Less dissolved water in the reactive core case is due to sequestration of H and O in the Fe-rich metal. The total hydrogen budget of most sub-Neptunes can be, to first order, estimated from their atmospheres alone, as the atmospheres typically contain more than 90\% of all H.