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

用作灭火剂和化学制剂替代品的含磷化合物的化学动力学

基本信息

批准号：
1706825
负责人：
Eric Petersen
金额：
$ 27万
依托单位：
Texas A&M Engineering Experiment Station
依托单位国家：
美国
项目类别：
Standard Grant
财政年份：
2017
资助国家：
美国
起止时间：
2017-08-01 至 2020-07-31
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=1706825&HistoricalAwards=false
关键词：
Chemical Kinetics Phosphorus Containing Compounds

项目摘要

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.

含磷化合物具有现代的、全球性的影响，因为它们被用作有前途的灭火剂。这些含磷化合物作为卤代烷类灭火剂的替代品的替代用途提供了额外的，深远的影响，并且强烈需要充分了解其化学行为。这些化合物也可以用作化学试剂模拟物，以更多地了解它们在火焰中的行为。本课题将对磷基分子的化学性质进行实验研究。主要的结果将是在含有这些磷化合物的火焰中发生的重要化学反应的准确表示。改进后的模型可以供工程师和科学家使用。这个多学科项目将为从事该项目的研究生、博士后研究员和本科生提供机会，让他们有机会在他们通常不参与的领域发表论文和参加会议。本项目感兴趣的化合物是以磷为基础的。准确预测其燃烧行为的一个重要方面在于磷氧化动力学子机制的准确性。尽管这些化合物目前很重要，但它们在燃烧条件下的动力学数据很少，化学动力学反应速率系数也不为人所知。本基础研究的重点是直接测量磷氧化亚机理中关键反应的反应速率常数。从这项工作中产生的基本化学动力学信息将是独一无二的，并将为模拟燃烧环境中含p化合物的影响提供非常需要的结果。通过使用激波管产生高温条件（1000至2000 K），将进行关键中间物质如PO2， HOPO， H2O和HOPO2的激光吸收测量。将获得新的光谱信息，并将首次在激波管中进行它们浓度的激光吸收测量。这样的测量将导致第一次确定几个重要反应（最多6个）的反应速率。该项目的成功完成将大大提高对几种实用和热门含磷物质燃烧行为的预测能力。