An open and generalized implementation of the Soave-Redlich-Kwong predictive method for the calculation of Henry's law constant

Abstract

The prediction of the solubility of gases in liquids by use of Henry's law is an important problem in chemical thermodynamics because of its applications to industrial gas-liquid separation processes. However, the calculation of Henry's law constant by means of equations of state requires computational implementations that are difficult to program in a generalized format. Because of its basis on the UNIFAC model of activity coefficients, the predictive Soave-Redlich-Kwong (PSRK) method can be applied to numerous systems of interest. From the consideration of these reasons, an open and generalized implementation of the PSRK method was developed for its application to the calculation of Henry's law constant in gas-liquid equilibrium. This implementation was tested by comparing the predictions of the PSRK method for Henry's law constant with a recent set of experimental measurements in systems of organic compounds. It was found that, within a wide temperature range, Henry's law constants obtained from the PSRK method agree reasonably well with the experimental results for most of the systems included in the comparison.