Chemical Kinetics of Phosphorus-Containing Compounds Used as Fire Suppressants and Chemical Agent Surrogates

含有磷的化合物具有现代的、全球性的影响，因为它们被用作有希望的灭火剂。这些磷化合物作为基于哈龙的灭火剂的有希望的替代品的替代使用带来了额外的、深远的影响，并且迫切需要充分了解它们的化学行为。这些化合物还可以用作化学试剂模拟剂，以更多地了解它们在火焰中的行为。在这个研究项目中，将对磷基分子的化学进行实验研究。主要结果将是准确地表示在含有这些磷化合物的火焰中发生的重要化学反应。然后，工程师和科学家可以使用改进后的模型。这个多学科项目将允许从事该项目的研究生、博士后研究员和本科生有机会在他们通常不参与的领域发表文章和参加会议。对该项目感兴趣的化合物是基于磷的。准确预测它们的燃烧行为的一个主要方面是磷氧化动力学亚机理的准确性。尽管它们目前很重要，但这些化合物在燃烧条件下的动力学数据很少，而且化学反应动力学速率系数根本不为人所知。这项基础性研究将集中于直接测量磷氧化亚机理中关键反应的反应速率常数。这项工作产生的基本化学动力学信息将是独一无二的，并将提供模拟燃烧环境中含磷化合物的影响所急需的结果。通过使用激波管产生高温条件(1000至2000 K)，将对关键中间物种如PO2、HOPO、H2O和HOPO2进行激光吸收测量。将获得新的光谱信息，并将首次在激波管中对它们的浓度进行激光吸收测量。这种测量将导致首次确定几个重要反应的反应速率(最高可达6个)。该项目的成功完成将极大地提高对几种具有实际意义和热点的含磷物种燃烧行为的预测能力。

Compounds containing phosphorus have modern, global ramifications because of their use as promising fire suppressants. The alternate usage of these phosphorous compounds as promising replacements for halon-based fire suppressants provides additional, far-reaching impact and a strong need for sufficient understanding of their chemical behavior. These compounds can also be used as chemical agent simulants to understand more about their behavior in flames. In this research project, the chemistry of phosphorus-based molecules will be studied experimentally. The primary result will be an accurate representation of the important chemical reactions that occur in flames containing these phosphorous compounds. Improved models can then be employed by engineers and scientists. This multidisciplinary project will allow opportunities for the graduate students, postdoctoral researcher, and undergraduate students working on the project to publish and attend conferences in fields in which they might not normally participate.The compounds of interest to this project are phosphorus-based. A major aspect of accurately predicting their combustion behaviors lies in the accuracy of the phosphorus-oxidation kinetics sub-mechanism. Despite their current importance, there are few kinetics data at combustion conditions for these compounds, and the chemical kinetic reaction rate coefficients are not at all well known. This fundamental study will focus on making direct measurements of the reaction rate constants of key reactions in the phosphorus oxidation sub-mechanism. The fundamental chemical kinetics information produced from this work will be one-of-a-kind and will provide results that are much needed for simulating the effects of P-containing compounds in a combustion environment. By using a shock tube to produce the high-temperature conditions (1000 to 2000 K), laser absorption measurements of key intermediate species such as PO2, HOPO, H2O, and HOPO2 will be performed. New spectroscopic information thereon will be obtained, and laser absorption measurements of their concentrations will be performed for the first time in a shock tube. Such measurements will lead to determination of the reaction rates of several important reactions (up to 6) for the first time. The successful completion of this project will greatly advance the predictive capabilities for the combustion behavior of several phosphorus-containing species of practical and topical interest.