This dataset contains laboratory measurements of the Fe dissolution kinetics and Fe speciation in coal fly ash samples under simulated atmospheric acidic processing, and the modelled surface concentrations of total Fe, soluble Fe, and Fe solubility in aerosol particles over the Bay of Bengal calculated using the global atmospheric chemical transport model IMPACT for different sensitivity simulations (Test 0-3). The methodology and full description of the dataset are provided in the manuscript (in the process of submission).