A Case Study in the Pre-Calculation of Henry Coefficients

Gas solubilities belong to the class of property data that form the basis for a large number of technological applications. For example, they represent the property data basis for absorption processes and are important in the design of gas-liquid reactors. In this paper, we determine Henry coefficients as a measure of gas solubility by means of a series of computational approaches used in industrial practice, and we compare the results to experimentally determined values. Temperature-varied values for hydrocarbon-alcohol systems constitute the object of the study. Of the methods employed, PSRK, UNIFAC(Do) and COSMO-RS display the highest predictive capability.