LavAtmos 2.0: Incorporating Volatiles Species in Vaporization Models

Due to strong irradiation, hot rocky exoplanets are able to sustain lava oceans. Direct interaction between these oceans and overlying atmospheres can provide insight into planetary interiors. In order to fully understand how the composition of the atmosphere of such planets are affected by the properties of the oceans, comprehensive chemical equilibrium models are required. Thus far, most models have only taken non-volatile species into account when calculating lava vaporisation. We investigate the effect of including C-, H-, N-, S-, and P-bearing species in the equilibrium lava vaporisation calculations on the overall atmospheric composition of hot rocky exoplanets by expanding our LavAtmos code. In LavAtmos 2.0 we integrate the chemical equilibrium code FastChem to expand the considered gas phase species to 523. We apply this new approach to calculate the composition of "pure" atmospheres which contain only a single volatile element and more complex atmospheres which contain C, H, N, S, and P. We also test two proposed compositions for the atmosphere of 55-Cnc e. We find that the inclusion of volatile elements in vaporisation calculations increases the partial pressures of vaporised species for all tested atmospheric compositions. Our models indicate that the tested volatile atmospheres above a lava ocean have a relatively low C-O ratio. This demonstrates the utility of complex chemical models that better describe the chemical behavior of atmospheres across a wide range of pressures and temperatures. Volatile elements must be taken into account for comprehensive modeling of vaporisation from a surface lava ocean into a volatile atmosphere. Vaporised species such as SiO, TiO, and Na may be present in greater abundances than previously estimated. A low atmospheric C/O ratio may be able to function as a new tracer for the presence of surface lava oceans on hot rocky exoplanets.