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Development of surrogate correlation models to predict trace organic contaminant oxidation and microbial inactivation during ozonation.

Water research (2012-10-16)
Daniel Gerrity, Sujanie Gamage, Darryl Jones, Gregory V Korshin, Yunho Lee, Aleksey Pisarenko, Rebecca A Trenholm, Urs von Gunten, Eric C Wert, Shane A Snyder
ABSTRACT

The performance of ozonation in wastewater depends on water quality and the ability to form hydroxyl radicals (·OH) to meet disinfection or contaminant transformation objectives. Since there are no on-line methods to assess ozone and ·OH exposure in wastewater, many agencies are now embracing indicator frameworks and surrogate monitoring for regulatory compliance. Two of the most promising surrogate parameters for ozone-based treatment of secondary and tertiary wastewater effluents are differential UV(254) absorbance (ΔUV(254)) and total fluorescence (ΔTF). In the current study, empirical correlations for ΔUV(254) and ΔTF were developed for the oxidation of 18 trace organic contaminants (TOrCs), including 1,4-dioxane, atenolol, atrazine, bisphenol A, carbamazepine, diclofenac, gemfibrozil, ibuprofen, meprobamate, naproxen, N,N-diethyl-meta-toluamide (DEET), para-chlorobenzoic acid (pCBA), phenytoin, primidone, sulfamethoxazole, triclosan, trimethoprim, and tris-(2-chloroethyl)-phosphate (TCEP) (R(2) = 0.50-0.83) and the inactivation of three microbial surrogates, including Escherichia coli, MS2, and Bacillus subtilis spores (R(2) = 0.46-0.78). Nine wastewaters were tested in laboratory systems, and eight wastewaters were evaluated at pilot- and full-scale. A predictive model for OH exposure based on ΔUV(254) or ΔTF was also proposed.

MATERIALS
Product Number
Brand
Product Description

Sigma-Aldrich
1,4-Dioxane, anhydrous, 99.8%
Sigma-Aldrich
1,4-Dioxane, ACS reagent, ≥99.0%
Sigma-Aldrich
1,4-Dioxane, suitable for HPLC, ≥99.5%
Supelco
1,4-Dioxane, analytical standard
Sigma-Aldrich
1,4-Dioxane, ReagentPlus®, ≥99%
Supelco
1,4-Dioxane solution, certified reference material, 2000 μg/mL in methanol, ampule of 1 mL
Sigma-Aldrich
1,4-Dioxane, ACS reagent, ≥99.0%
Sigma-Aldrich
1,4-Dioxane, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., ≥99.5% (GC)
Sigma-Aldrich
1,4-Dioxane solution, NMR reference standard, 40% in benzene-d6 (99.6 atom % D)
Supelco
1,4-Dioxane solution, NMR reference standard, 40% in benzene-d6 (99.6 atom % D), NMR tube size 5 mm × 8 in.
Sigma-Aldrich
1,4-Dioxane solution, NMR reference standard, 40% in benzene-d6 (99.6 atom % D), chromium(III) acetylacetonate 5 mg/mL, NMR tube size 5 mm × 8 in.
Sigma-Aldrich
1,4-Dioxane solution, NMR reference standard, 1 mM in D2O ("100", 99.96 atom % D), NMR tube size 5 mm × 7 in.
Sigma-Aldrich
1,4-Dioxane solution, NMR reference standard, 10 mM in D2O ("100%", 99.96 atom % D), NMR tube size 5 mm × 7 in.
Sigma-Aldrich
1,4-Dioxane solution, NMR reference standard, 0.1 mM in D2O ("100%", 99.96 atom % D), NMR tube size 5 mm × 7 in.
Sigma-Aldrich
1,4-Dioxane solution, NMR reference standard, 40% in benzene-d6 (99.6 atom % D), chromium(III) acetylacetonate 5 mg/mL, NMR tube size 6.5 mm × 8 in.
Sigma-Aldrich
1,4-Dioxane solution, NMR reference standard, 40% in benzene-d6 (99.6 atom % D), NMR tube size 10 mm × 8 in.
Supelco
1,4-Dioxane solution, NMR reference standard, 5 mM in chloroform-d (99.8 atom % D), NMR tube size 3 mm × 8 in.
Supelco
1,4-Dioxane solution, NMR reference standard, 5 mM in benzene-d6 (99.6 atom % D), NMR tube size 3 mm × 8 in.
Sigma-Aldrich
1,4-Dioxane solution, NMR reference standard, 40% in benzene-d6 (99.6 atom % D), chromium(III) acetylacetonate 5 mg/mL, NMR tube size 3 mm × 8 in.
Supelco
1,4-Dioxane solution, NMR reference standard, 40% in benzene-d6 (99.6 atom % D), NMR tube size 3 mm × 8 in.

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