TY - JOUR
T1 - A QSAR-like analysis of the adsorption of endocrine disrupting compounds, pharmaceuticals, and personal care products on modified activated carbons
AU - Redding, Adam M.
AU - Cannon, Fred S.
AU - Snyder, Shane A.
AU - Vanderford, Brett J.
N1 - Funding Information:
The authors thank Norit Americas for providing the commercial carbon sample. This work was funded through the National Science Foundation (grant #0202177), the Consortium for Premium Carbon Products from Coal (CPCPC), the City of Cincinnati, OH, USA and the American Water Works Research Foundation (AwwaRF).
PY - 2009/8
Y1 - 2009/8
N2 - 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.
AB - 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.
UR - https://www.scopus.com/pages/publications/67651114039
UR - https://www.scopus.com/pages/publications/67651114039#tab=citedBy
U2 - 10.1016/j.watres.2009.05.026
DO - 10.1016/j.watres.2009.05.026
M3 - Article
C2 - 19592065
AN - SCOPUS:67651114039
SN - 0043-1354
VL - 43
SP - 3849
EP - 3861
JO - Water Research
JF - Water Research
IS - 15
ER -