A QSAR-like analysis of the adsorption of endocrine disrupting compounds, pharmaceuticals, and personal care products on modified activated carbons

Abstract

Rapid small-scale column tests (RSSCTs) examined the removal of 29 endocrine disrupting compounds (EDCs) and pharmaceutical/personal care products (PPCPs). The RSSCTs employed three lignite variants: HYDRODARCO 4000 (HD4000), steam-modified HD4000, and methane/steam-modified HD4000. RSSCTs used native Lake Mead, NV water spiked with 100–200 ppt each of 29 EDCs/PPCPs. For the steam and methane/steam variants, breakthrough occurred at 14,000–92,000 bed volumes (BV); and this was 3–4 times more bed volumes than for HD4000. Most EDC/PPCP bed life data were describable by a normalized quantitative structure–activity relationship (i.e. QSAR-like model) of the form: BV p = ( ( TPV × ρ mc ) ( ⅇ 0.2812 × pH s ) CV × C o ) ( 0.2758 × χ 8 p + 0.0011 × FOSA ) where TPV is the pore volume, ρ mc is the apparent density, CV is the molecular volume, C o is the concentration, 8 χ p depicts the molecule's compactness, and FOSA is the molecule's hydrophobic surface area.