Adsorption of Phthalate Acid Esters by Activated Carbon: The Overlooked Role of the Ethanol Content

Abstract

Ethanol has great effects on the adsorption of phthalate acid esters (PAEs) on activated carbon (AC), which are usually overlooked and hardly studied. This study investigated the overlooked effects of ethanol on the adsorption of PAEs in alcoholic solutions. The adsorption capacities of dibutyl phthalate (DBP) on AC in solutions with ethanol contents of 30, 50, 70, and 100 v% were only 59%, 43%, 19%, and 10% of that (16.39 mg/g) in water, respectively. The ethanol content increase from 50 v% to 100 v% worsened the adsorption performances significantly with the formation of water–ethanol–DBP clusters (decreasing from 13.99 mg/g to 2.34 mg/g). The molecular dynamics simulation showed that the DBP tended to be distributed farther away from the AC when the ethanol content increased from 0 v% to 100 v% (the average distribution distance increased from 5.25 Å to 15.3 Å). The PAEs with shorter chains were more affected by the presence of ethanol than those with longer chains. Taking DBP as an example, the adsorption capacity of AC in ethanol (0.41 mg/g) is only 2.2% of that in water (18.21 mg/g). The application results in actual Baijiu samples showed that the adsorption of PAEs on AC had important effects on the Baijiu flavors.