Iron-mediated oxidation of methoxyhydroquinone at Rifle, Colorado

Davis, James; Nico, Peter; Yuan, Xiu

doi:10.21952/WTR/1508396

Title: Iron-mediated oxidation of methoxyhydroquinone at Rifle, Colorado

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Abstract

In this study, the oxidation of 2-methoxyhydroquinone (MH2Q) by ferric iron (Fe(III)) under dark conditions in the absence and presence of oxygen was investigated within a pH range of 4 – 6. While Fe(III) was capable of stoichiometrically oxidizing MH2Q under anaerobic conditions, catalytic oxidation of MH2Q was observed in the presence of O2 due to further cycling between oxygen, semiquinone radicals, and iron species. A detailed kinetic model was developed to describe the predominant mechanisms, which indicated that both the undissociated and mono-dissociated anions of MH2Q were kinetically active species towards Fe(III) reduction, with the mono-dissociated anion being the key species accounting for the pH dependence of the oxidation. The generated radical intermediates, namely semiquinone and superoxide, are of great importance in reaction chain propagation. The kinetic model may provide critical insight into the underlying mechanisms of the thermodynamic and kinetic characteristics of metal-organic interactions and assist in understanding and predicting the factors controlling iron and organic matter transformation and bioavailability in aquatic systems.

Authors:

Davis, James; Nico, Peter; Yuan, Xiu

Lawrence Berkeley National Lab

Publication Date:: Mon Dec 31 23:00:00 EST 2018

DOE Contract Number:: AC02-05CH11231

Research Org.:: Watershed Functionality Scientific Focus Area

Sponsoring Org.:: U.S. Department of Energy Office of Science Office of Biological and Environmental Research

Subject:: 54 ENVIRONMENTAL SCIENCES

OSTI Identifier:: 1508396

DOI:: https://doi.org/10.21952/WTR/1508396

Citation Formats


                    Davis, James, Nico, Peter, and Yuan, Xiu. Iron-mediated oxidation of methoxyhydroquinone at Rifle, Colorado.  United States: N. p., 2018. 
        Web.  doi:10.21952/WTR/1508396.

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                    Davis, James, Nico, Peter, & Yuan, Xiu. Iron-mediated oxidation of methoxyhydroquinone at Rifle, Colorado.  United States.  doi:https://doi.org/10.21952/WTR/1508396

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                    Davis, James, Nico, Peter, and Yuan, Xiu. 2018.  
"Iron-mediated oxidation of methoxyhydroquinone at Rifle, Colorado".  United States.  doi:https://doi.org/10.21952/WTR/1508396.  https://www.osti.gov/servlets/purl/1508396. Pub date:Mon Dec 31 23:00:00 EST 2018

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@article{osti_1508396,

  title        = {Iron-mediated oxidation of methoxyhydroquinone at Rifle, Colorado},

  author       = {Davis, James and Nico, Peter and Yuan, Xiu},

  abstractNote = {In this study, the oxidation of 2-methoxyhydroquinone (MH2Q) by ferric iron (Fe(III)) under dark conditions in the absence and presence of oxygen was investigated within a pH range of 4 – 6. While Fe(III) was capable of stoichiometrically oxidizing MH2Q under anaerobic conditions, catalytic oxidation of MH2Q was observed in the presence of O2 due to further cycling between oxygen, semiquinone radicals, and iron species. A detailed kinetic model was developed to describe the predominant mechanisms, which indicated that both the undissociated and mono-dissociated anions of MH2Q were kinetically active species towards Fe(III) reduction, with the mono-dissociated anion being the key species accounting for the pH dependence of the oxidation. The generated radical intermediates, namely semiquinone and superoxide, are of great importance in reaction chain propagation. The kinetic model may provide critical insight into the underlying mechanisms of the thermodynamic and kinetic characteristics of metal-organic interactions and assist in understanding and predicting the factors controlling iron and organic matter transformation and bioavailability in aquatic systems.},

  doi          = {10.21952/WTR/1508396},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Dec 31 23:00:00 EST 2018},

  month        = {Mon Dec 31 23:00:00 EST 2018}

}

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DOI: https://doi.org/10.21952/WTR/1508396

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