Reference #: 00875
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Invention Description:
The subject invention is a system of equations (a model) that can be used to develop sustained free radical oxidation processes using low energy, environmentally sustainable feedstocks such as Fe salts, atmospheric oxygen, and naturally occurring organic molecules.
Background:
The oxidation of aqueous Fe(II) by atmospheric dioxygen is associated with the production of several reactive oxygen species (ROS). These include hydrogen peroxide, hydroxyl radical and superoxide. These ROS all have demonstrated utility in the remediation of trace organic contaminants and pathogens. Dr. Ferry and co-workers have reported an empirical, combinatorial investigation of Fe(II) oxidation that evaluated the variations of Fe(II) oxidation rates and ROS production across the pH, Fe(II), PO43-, Cl-, Br-, CO32- and natural organic matter (NOM) axes. Furthermore, they describe the development and field testing of two combinatorial experimental designs that simultaneously account for the effects of independent and co-varying factors on net Fe(II) oxidation. This was accomplished by application of a novel experimental design that co-varied Fe(II), PO43-, Cl-, Br-, and CO32-along the pH axis. Factors and inter-factor interactions were statistically evaluated to determine their importance to Fe(II) oxidation at the 95% level of confidence. Significant factors were used to construct predictive numerical models of Fe(II) oxidation rates and correlated ROS yield. Models were constructed to represent the conditional end-members of unrestricted Fe cycling and restricted Fe cycling (due to forced precipitation of Fe(III)). The models were challenged to predict Fe(II) oxidation rates across a wide variety of conditions. Both models were capable of predicting Fe(II) oxidation rates to within the 95% confidence interval at all of the tested points.
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