Kinetics Models for Supercritical Water Oxidation Processes

废水中存在的有害有机化合物可以通过均相氧化反应快速、安全地转化为二氧化碳和水。当反应条件超过水的临界压力和临界温度时，这种氧化处理过程称为超临界水氧化(SCWO)。SCWO前景看好的是废物销毁的新技术，它因可能的应用而引起越来越多的关注，例如作为载人航天任务生命维持系统一部分的水净化，以及销毁军事危险废物、混合废物以及化学、石油和纸浆造纸工业的废物。超临界水氧化工艺的设计、优化和控制需要掌握控制反应动力学的知识。PIS将进行平行的实验和建模研究，以确定这些主导动力学。这项工作的一部分涉及为实际污染物的超临界水合作用开发唯象反应模型。他们将通过关联大量的实验数据来确定反应物消失、二氧化碳产生、副产品形成和破坏的全球速率规律。他们还计划为超临界水化学开发一个基于机理的反应模型，并进行必要的实验来验证该模型，该模型将基于单个基本反应步骤及其相关的动力学。他们计划开发可靠的基于机理的模型，用于通过这些技术单独和作为混合物氧化日益复杂的有机化合物。

Hazardous organic compounds present in aqueous waste streams can be rapidly and safely converted to CO2 and H2O through homogeneous oxidation reactions. When the reaction conditions exceed both the critical pressure and critical temperature of water, this oxidative treatment process is referred to as supercritical water oxidation (SCWO). SCWO is promising new technology for waste destruction, and it is attracting increasing attention for possible applications such as water purification as part of a life-support system for manned space missions, and the destruction of military hazardous waste, mixed wastes, and wastes from the chemical, petroleum, and pulp and paper industries. The design, optimization, and control of an SCWO process requires knowledge of the governing reaction kinetics. The PIs will conduct parallel experimental and modeling studies to determine these governing kinetics. One part of the work involves developing phenomenological reaction models for the SCWO of real pollutants. They will determine global rate laws for reactant disappearance, CO2 prod uction, and byproduct formation and destruction by correlating the large sets of experimental data. They also plan to develop a mechanism-based reaction model for SCWO chemistry and perform the experiments necessary to validate the model, which will be based on individual elementary reaction steps and their associated kinetics. They plan to develop reliable mechanism-based models for the oxidation of increasingly complex organic compounds individually and as mixtures by these techniques.