The Behavior and Design of Reactors with Complex Chemistry

摘要-范伯格-9523511这项工作是化学反应网络理论发展的延续，旨在为工程师和化学家提供分析复杂反应堆的方便实用的工具。与以往强调反应堆稳定性的工作不同，新工作的主旨是反应堆系统的设计。PI过去的工作重点是绘制反应网络结构和反应堆稳定性之间的精确联系。当基本的化学成分已知时，该理论有助于表明反应堆对各种不稳定行为的能力。当人们对化学反应知之甚少时，该理论有助于区分那些可以解释观察到的反应堆行为的候选机制，以及那些不能解释的候选机制。这项工作将解决在复杂化学存在的情况下的最优反应堆设计问题。特别令人感兴趣的是理论的发展，将网络，饲料和设计目标是明确的。也就是说，人们想知道从设计者可用的几乎无限的反应堆配置调色板中提取的哪种定性配置最适合设计者的目标。化学反应网络工具箱，一个适用于IBM兼容计算机的程序，是由PI编写的，以便将反应网络理论的早期结果传播给更广泛的受众。预计根据这一新赠款完成的工作将纳入更全面的方案版本。

Abstract - Feinberg - 9523511 This work is a continuation of the development of chemical reaction network theory, which aims to provide engineers and chemists with easily applied tools for the analysis of complex reactors. Unlike the previous work which emphasized reactor stability, the new work's main thrust is design of reactor systems. The PI's past work emphasized the drawing of precise connections between reaction network structure and reactor stability. When the underlying chemistry is known, the theory helps indicate a reactor's capacity for unstable behavior of various kinds. When the chemistry is poorly understood, the theory helps distinguish between those candidate mechanisms that could account for observed reactor behavior and those that could not. This work will address questions of optimal reactor design in the presence of complex chemistry. Of Particular interest is the development of theory that would network, the feed and the design objectives are specified. That is, one would like to know which qualitative configuration, taken from virtually limitless palette of reactor configurations available to the designer, is best suited to the designer's objectives. The Chemical Reaction Network Toolbox, a program for IBM-compatible computers, was written by the PI so that early results of reaction network theory might be disseminated to a wide audience. It is anticipated that work completed under this new grant will be incorporated into a more comprehensive version of the program.