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

Adam M. Redding, Fred S. Cannon, Shane A. Snyder, Brett J. Vanderford

Research output: Contribution to journalArticle

85 Scopus citations


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: BVp = (frac((TPV × ρmc) (e{double-struck, italic}0.2812 × pHs), CV × Co)) (0.2758 × 8χp + 0.0011 × FOSA). where TPV is the pore volume, ρmc is the apparent density, CV is the molecular volume, Co is the concentration, 8χp depicts the molecule's compactness, and FOSA is the molecule's hydrophobic surface area.

Original languageEnglish (US)
Pages (from-to)3849-3861
Number of pages13
JournalWater Research
Issue number15
StatePublished - Aug 2009


All Science Journal Classification (ASJC) codes

  • Ecological Modeling
  • Water Science and Technology
  • Waste Management and Disposal
  • Pollution

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