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Merck

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
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The performance of ozonation in wastewater depends on water quality and the ability to form hydroxyl radicals (ยทOH) to meet disinfection or contaminant transformation objectives. Since there are no on-line methods to assess ozone and ยทOH 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 (ฮ”UV(254)) and total fluorescence (ฮ”TF). In the current study, empirical correlations for ฮ”UV(254) and ฮ”TF 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 ฮ”UV(254) or ฮ”TF was also proposed.

MATERIALS
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Sigma-Aldrich
1,4-Dioxane solution, 10 mM in D2O ("100%", 99.96 atom % D), NMR tube size 5 mm ร— 7 in.
Supelco
1,4-Dioxane, analytical standard
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%, contains ≤25 ppm BHT as stabilizer
Sigma-Aldrich
1,4-Dioxane, ReagentPlusยฎ, โ‰ฅ99%, contains โ‰ค25 ppm BHT as stabilizer
Supelco
1,4-Dioxane solution, suitable for NMR (reference standard), 5 mM in chloroform-d (99.8 atom % D), NMR tube size 3 mm ร— 8 in.
Supelco
1,4-Dioxane solution, suitable for NMR (reference standard), 5 mM in benzene-d6 (99.6 atom % D), NMR tube size 3 mm ร— 8 in.
Supelco
1,4-Dioxane solution, suitable for NMR (reference standard), 40% in benzene-d6 (99.6 atom % D), NMR tube size 5 mm ร— 8 in.
Sigma-Aldrich
1,4-Dioxane, anhydrous, 99.8%, contains <=25 ppm BHT as stabilizer
Sigma-Aldrich
1,4-Dioxane solution, 40% in benzene-d6 (99.6 atom % D), chromium(III) acetylacetonate 5 mg/mL, NMR tube size 5 mm ร— 8 in.
Sigma-Aldrich
1,4-Dioxane solution, 40% in benzene-d6 (99.6 atom % D), chromium(III) acetylacetonate 5 mg/mL, NMR tube size 3 mm ร— 8 in.
Sigma-Aldrich
1,4-Dioxane solution, 40% in benzene-d6 (99.6 atom % D)
Sigma-Aldrich
1,4-Dioxane solution, 40% in benzene-d6 (99.6 atom % D), NMR tube size 10 mm ร— 8 in.
Sigma-Aldrich
1,4-Dioxane, ACS reagent, ≥99.0%, contains <=25 ppm BHT as stabilizer
Sigma-Aldrich
1,4-Dioxane, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., ≥99.5% (GC)