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Prediction of 1,4-dioxane decomposition during VUV treatment by model simulation taking into account effects of coexisting inorganic ions

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Title: Prediction of 1,4-dioxane decomposition during VUV treatment by model simulation taking into account effects of coexisting inorganic ions
Authors: Matsushita, Taku Browse this author →KAKEN DB
Sugita, Wataru Browse this author
Ishikawa, Tomoya Browse this author
Shi, Gang Browse this author
Nishizawa, Shota Browse this author
Matsui, Yoshihiko Browse this author →KAKEN DB
Shirasaki, Nobutaka Browse this author →KAKEN DB
Keywords: advanced oxidation process
Issue Date: 1-Nov-2019
Publisher: Elsevier
Journal Title: Water research
Volume: 164
Start Page: 114918
Publisher DOI: 10.1016/j.watres.2019.114918
Abstract: 1,4-Dioxane is one of the most persistent organic micropollutants and is quite difficult to remove via conventional drinking water treatment consisting of coagulation, sedimentation, and sand filtration. Vacuum ultraviolet (VUV) treatment has recently been found to show promise as a treatment method for 1,4-dioxane removal, but the associated decomposition rate of 1,4-dioxane is known to be very sensitive to water quality characteristics. Some computational models have been proposed to predict the decomposition rate of micropollutants during VUV treatment, but the effects of only bicarbonate and natural organic matter have been considered in the models. In the present study, we attempted to develop a versatile computational model for predicting the behavior of 1,4-dioxane during VUV treatment that took into account the effects of other coexisting inorganic ions commonly found in natural waters. We first conducted 1,4-dioxane decomposition experiments with low-pressure mercury lamps and test waters that had been prepared by adding various inorganic ions to an aqueous phosphate buffer. The apparent decomposition rate of 1,4-dioxane was suppressed when bicarbonate, chloride, and nitrate were added to the test waters. Whereas bicarbonate and chloride directly suppressed the apparent decomposition rate by consuming HO center dot, nitrate became influential only after being transformed into nitrite by concomitant UV light (lambda= 254 nm) irradiation. Cl-related radicals (Cl center dot and Cl-2 center dot(-)) did not react with 1,4-dioxane directly. A computational model consisting of 31 ordinary differential equations with respect to time that had been translated from 84 reactions (10 photochemical and 74 chemical reactions) among 31 chemical species was then developed for predicting the behavior of 1,4-dioxane during VUV treatment. Nine of the parameters in the ordinary differential equations were determined by least squares fitting to an experimental dataset that included different concentrations of bicarbonate, chloride, nitrate, and nitrite. Without further parameter adjustments, the model successfully predicted the behavior of 1,4-dioxane during VUV treatment of three groundwaters naturally contaminated with 1,4-dioxane as well as one dechlorinated tap water sample supplemented with 1,4-dioxane.
Rights: © 2019. This manuscript version is made available under the CC-BY-NC-ND 4.0 license
Type: article (author version)
Appears in Collections:工学院・工学研究院 (Graduate School of Engineering / Faculty of Engineering) > 雑誌発表論文等 (Peer-reviewed Journal Articles, etc)

Submitter: 松下 拓

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