Correlation of Henry's Law, Virial Coefficients for the Adsorption of Hydrocarbons and Chlorofluorocarbons on Microporous Solids

Abstract

Correlations were developed and used to calculate gas-solid interaction energy parameters which in turn were used to calculate Henry's law constants for the adsorption of a series of hydrocarbons and chlorofluorocarbons on either a 13X zeolite or a microporous carbon, SuperSorb. The adsorption energetic parameter was correlated with the boiling point, critical constant ratio (critical temperature divided by the square root of the critical pressure), number of carbon atoms, and molecular structure or atomic structure of the adsorbate molecule. These correlations were used to calculate gas-solid interaction energies and, with a selection of the gas-solid interaction potential parameters, were used in an integral expression to calculate the gas-solid virial coefficients. The critical constant ratio was found to provide the best means of predicting the gas-solid interaction energy and the corresponding second gas-solid virial coefficient. This approach could be used to predict the extent adsorption in the Henry's law region using only adsorbate molecular properties where energy correlations have been previously established for a series of adsorbate molecules.