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

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

Research output: Contribution to journalArticle

79 Citations (Scopus)

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: 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
Volume43
Issue number15
DOIs
StatePublished - Aug 1 2009

Fingerprint

Activated carbon
Drug products
activated carbon
Steam
adsorption
Adsorption
Methane
drug
methane
Molecules
Lignite
lignite
Lakes
surface area
analysis
PPCP
lake
test
Water
water

All Science Journal Classification (ASJC) codes

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

Cite this

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title = "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: 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.",
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A QSAR-like analysis of the adsorption of endocrine disrupting compounds, pharmaceuticals, and personal care products on modified activated carbons. / Redding, Adam M.; Cannon, Fred Scott; Snyder, Shane A.; Vanderford, Brett J.

In: Water Research, Vol. 43, No. 15, 01.08.2009, p. 3849-3861.

Research output: Contribution to journalArticle

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