Calculation of Henry's law constants for some volatile organic compounds dissolved in aqueous Na2SO4 and NaCl solutions using the LIFAC activity coefficient model

The calculation of Henry's law constants (H) with group contribution models such as LIFAC is useful for environmental applications because it can describe the behavior of volatile organic compounds (VOCs) dissolved in saline solutions. However, the available LIFAC parameters have been fitted to activity coefficient, osmotic coefficient, vapor–liquid, or solid–liquid equilibria data. In this work a new LIFAC parameter set was fitted to H experimental values for VOCs, 1-alcohols and 2-ketones, dissolved in aqueous Na2SO4 and NaCl solutions. This set includes parameters for ionic and non-ionic functional groups and gives quantitative agreement with experimental measurements.