Chemistry across dust and gas gaps in protoplanetary disks: modelling the co-spatial molecular rings in the HD 100546 disk

Abstract: High-resolution observations show that typically both the dust and the gas in nearby extended protoplanetary disks are structured, possibly related to radial and azimuthal variations in the disk density and/or chemistry. The aim of this work is to identify the expected location and intensity of rings seen in molecular line emission of HCN, CN, C$_2$H, NO, [CI], and HCO$^+$ in gapped disks while exploring a range of physical conditions across the gap. In particular, we model HD 100546 disk where molecular rings are co-spatial with the dust rings at $\sim$20 and $\sim$200 au, in contrast to most other gapped disks. The fiducial model of a gapped disk with a 15 au gas cavity, a 20 au dust cavity, and a shallow (a factor of $\lesssim10$) gas and deep dust gap at 40-175 au provides a good fit to the continuum, CO isotopologues, HCN, and HCO$^+$ in the HD 100546 disk. However, the predictions for [CI], CN, C$_2$H and NO do not match the intensity nor the morphology of the observations. An exploration of the parameter space shows that in general the molecular emission rings are only co-spatial with the dust rings if the gas gap between the dust rings is depleted by at least four orders of magnitude in gas or if the C/O ratio of the gas is varying as a function of radius. For shallower gaps the decrease in the UV field roughly balances the effect of a higher gas density for UV tracers such as CN, C$_2$H, and NO. Therefore, these radicals are not good tracers of the gas gap depth. The C/O ratio primarily effects the intensity of the lines without changing the morphology much. The co-spatial rings observed in the HD 100546 disk could be indicative of a radially varying C/O ratio in the HD 100546 disk with a C/O above 1 in a narrow region across the dust rings, together with a shallow gas gap that is depleted by a factor of $\sim$10 in gas, and a reduced background UV field.