Project 6: Oxidative Remediation of Recalcitrant Contaminants with Persulfate

项目6：用过硫酸盐氧化修复难降解污染物。过硫酸盐（S20 s2）是一种 相对便宜的试剂，可用于氧化许多最难降解的污染物 在危险废物处理场。虽然危险废物场越来越受欢迎， 在污染物的修复方面，过硫酸盐氧化污染物的化学反应还没有得到很好的理解。 我们研究的总体目标是开发和测试氧化污染物的新方法， 难以用现有技术处理（例如，多氯联苯，1，4-二氧六环和全氟辛酸），并将其用于制造 处理系统更加强大和高效。通过使用动力学模型和详细的研究 反应机理，我们将开发预测污染物转化率的方法， 优化系统性能。这种对过硫酸盐化学的机械理解将要求我们 逐步增加模型的复杂性。首先，我们将校准我们的动力学模型， 均相反应，通过该反应，使用各种实验将过硫酸盐转化为氧化剂。 主要与硫酸根或羟基反应的化合物。在校准模型后， 在补救过程中可能遇到的条件的范围，我们将调查的作用 含铁固体在引发自由基产生时的非均相反应。通过应用调查结果 通过使用最先进的表面表征技术在非均质系统中进行的实验，我们将 合成新型非均相催化剂用于污染地下水的异位处理。我们 也将利用异质性实验的结果来提高模型的预测能力， 确定补救的最佳条件。在确定最适合污染物的条件后， 在补救过程中，我们将评估有毒中间产物的潜在形成 使用高含量筛选测定和质谱法的方法。我们的研究将导致 对过硫酸盐化学的机械理解，这反过来又会导致一种理解水平， 将允许工程师避免过度使用试剂和有毒中间体的形成， 过硫酸盐用于补救。

Project 6: Oxidative Remediation of Recalcitrant Contaminants with Persulfate. Persulfate (S20s^) is a relatively inexpensive reagent that can be used to oxidize many of the most recalcitrant contaminants present at hazardous waste sites. Although it is becoming more popular for hazardous waste site remediation, the chemical reactions through which persulfate oxidizes contaminants are not well understood. The overall goal of our research is to develop and test new approaches for oxidizing contaminants that are difficult to treat with existing technologies (e.g., PCBs, 1,4-dioxane and PFOA) and apply it to make treatment systems more robust and efficient. Through the use of kinetic models and detailed research on reaction mechanisms, we will develop the means of predicting contaminant transformation rates and optimizing system performance. This mechanistic understanding of persulfate chemistry will require that we build increasing complexity into our model in stages. Initially, we will calibrate our kinetic model for the homogeneous reactions through which persulfate is converted into oxidants using experiments with various compounds that react predominantly with sulfate radical or hydroxyl radical. After calibrating the model over the range of conditions likely to be encountered during remediation, we will investigate the role of heterogeneous reactions of iron-containing solids on the initiation of radical production. By applying findings from experiments in heterogeneous systems with state-of-the-art surface characterization techniques we will synthesize new types of heterogeneous catalysts for ex situ treatment of contaminated groundwater. We also will use results from the heterogeneous experiments to improve the predictive ability ofthe model and identify optimal conditions for remediation. After defining the conditions that are best suited for contaminant remediation, we will assess the potential formation of toxic intermediate products during the remediation process using high content screening assays and mass spectrometry. Our research will lead to a mechanistic understanding of persulfate chemistry that should, in turn, lead to a level of understanding that will allow engineers to avoid excessive use of reagents and the formation of toxic intermediates when persulfate is used for remediation.