Characterisation of gaseous iodine species detection using the multi-scheme chemical ionisation inlet 2 with bromide and nitrate chemical ionisation methods

The multi-scheme chemical ionisation inlet 1 (MION1) enables rapid switching between the measurement of atmospheric ions without chemical ionisation and neutral molecules using various atmospheric pressure chemical ionisation methods. In this study, we introduce the upgraded version, the multi-scheme chemical ionisation inlet 2 (MION2). The new design incorporates enhanced ion optics, resulting in increased reagent ion concentration, ensuring a robust operation, and enabling the use of multiple chemical ionisation methods with the same ionisation time. In order to simplify the regular calibration of MION2, we developed an open-source flow reactor chemistry model called MARFORCE. This model enables quantification of the chemical production of sulfuric acid (H2SO4), hypoiodous acid (HOI), and hydroperoxyl radical (HO2). MARFORCE simulates the convection-diffusion-reaction processes occurring within typical cylindrical flow reactors with uniform inner diameters. The model also includes options to simulate chemical processes in the following two scenarios: (1) when two flow reactors with different inner diameters are connected and (2) when two flows are merged into one using a Y-shaped tee, although with reduced accuracy. Furthermore, the chemical mechanism files in the model are compatible with the widely used Master Chemical Mechanism (MCM), allowing for future adaptation to simulate other chemical processes in flow reactors. Furthermore, we conducted a comprehensive characterisation of the bromide (Br) and nitrate (NO3) chemical ionisation methods with different ionisation times. We performed calibration experiments for H2SO4, HOI, and HO2 by combining gas kinetic experiments with the MARFORCE model. The evaluation of sulfur dioxide (SO2), water (H2O), and molecular iodine (I-2) involved dilution experiments from a gas cylinder (SO2), dew point mirror measurements (H2O), and a derivatisation approach combined with a high-performance liquid chromatography quantification (I-2), respectively.