PREDICTION OF ACTIVATED CARBON ADSORPTION-ISOTHERMS FOR ORGANIC VAPORS

An approach to predict gas-phase activated carbon adsorption isotherms for organic vapors was developed using quantitative structure-activit y relationship (QSAR) techniques. The validity of this predictive appr oach was demonstrated using adsorption isotherm data reported in the l iterature for 20 different chemicals on four different carbons at vari ous temperatures and partial pressures. The predictions agreed well wi th the experimental data with a coefficient of determination exceeding 0.9 for all cases. These predictions compared well against the predic tions made by other available methods that require experimental inputs . This finding enables gas-phase adsorption isotherms to be developed from limited experimental data and from the molecular structural featu res of the adsorbates for preliminary evaluations.