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In this paper, we provide a highly accurate value for the binding energy of benzene to proton-ordered crystalline water ice (XIh), as a model for interstellar ices. We compare our computed value to the latest experimental data available from temperature-programmed desorption experiments and find that our binding energy value agrees well with data obtained from binding to either crystalline or amorphous ice. Importantly, our new value is lower than that used in most astrochemical networks by about nearly half its value. We explore the impact of this revised binding energy value for both an asymptotic giant branch (AGB) outflow and a protoplanetary disc. We find that the lower value of the binding energy predicted here compared with values used in the literature (4050 K versus 7587 K) leads to less depletion of gas-phase benzene in an AGB outflow, and leads to a shift outwards in the benzene snowline in the mid-plane of a protoplanetary disc. Using this new value, the AGB model predicts lower abundances of benzene in the solid phase throughout the outflow. The disc model also predicts a larger reservoir of gas-phase benzene in the inner disc, which is consistent with the recent detections of benzene for the first time in protoplanetary discs with JWST. [ABSTRACT FROM AUTHOR]

Astrochemical models treat dust surfaces as ice covered. We investigate the effects of implementing increased bare dust binding energies of CO and S-bearing species on the chemistry in the outflows of asymptotic giant branch (AGB) stars. We demonstrate the potential for improving agreement with observations in the outflow of IK Tau. Increasing the binding energies to measured and computationally derived values in high mass-loss AGB outflows increased the production of daughter species. Switching from a high binding energy on bare dust to weaker binding to ice, the gas phase abundance increased at a radius in agreement with observations of IK Tau, suggesting that displacement of bound species could contribute to this observational puzzle. Using a strong binding to bare dust, a gas phase increase was not observed, however parent species concentrations had to be increased by around a factor of four to explain observed concentrations. [ABSTRACT FROM AUTHOR]