2019ApJ...885..146R

We study the effects of grain surface reactions on the chemistry of protoplanetary disks where gas, ice surface layers, and icy mantles of dust grains are considered as three distinct phases. Gas-phase and grain surface chemistry is found to be mainly driven by photoreactions and dust temperature gradients. The icy disk interior has three distinct chemical regions: (i) the inner midplane with low far-UV (FUV) fluxes and warm dust (>=15 K) that lead to the formation of complex organic molecules, (ii) the outer midplane with higher FUV from the interstellar medium and cold dust where hydrogenation reactions dominate, and (iii) a molecular layer above the midplane but below the water condensation front where photodissociation of ices affects gas-phase compositions. Some common radicals, e.g., CN and C₂H, exhibit a two-layered vertical structure and are abundant near the CO photodissociation front and near the water condensation front. The three-phase approximation in general leads to lower vertical column densities than two-phase models for many gas-phase molecules owing to reduced desorption, e.g., H₂O, CO₂, HCN, and HCOOH decrease by roughly two orders of magnitude. Finally, we find that many observed gas-phase species originate near the water condensation front; photoprocesses determine their column densities, which do not vary significantly with key disk properties such as mass and dust/gas ratio.