Use of Quantitative Structure Activity Relationship Methods in Predicting Activated Carbon Adsorption Isotherms for Hazardous Air Pollutants

Abstract

A quantitative structure activity relationship (QSAR) approach is presented to predict gas phase activated carbon adsorption capacities and isotherms for several organic chemicals and their binary mixtures. F,x peri menial adsorption data reported in the literature for various binary mixtures on two di ercnt carbons were used to validate this predictive approach. The QSAR-predicted and experimental adsorption capacities for di erent chemical mixtures of small apolar hydrocarbons at di erent temperatures on two di erent carbons under a range of total pressures and gas phase compositions agreed well with r₂ = 0.85 for a total of 338 data points.