The Behavior and Design of Reactors with Complex Chemistry

摘要- Feinberg - 9523511 本工作是化学反应网络理论发展的继续，旨在为工程师和化学家提供简单实用的工具来分析复杂的反应器。 与以往强调反应堆稳定性的工作不同，新工作的主要目标是反应堆系统的设计。 PI过去的工作强调反应网络结构和反应器稳定性之间的精确连接。 当基本的化学性质已知时，该理论有助于表明反应堆的各种不稳定行为的能力。 当对化学过程了解不多时，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和那些不能解释的机制。 这项工作将解决在复杂的化学反应存在的最佳反应器设计的问题。 特别感兴趣的是理论的发展，将网络，饲料和设计目标的规定。 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中获取的哪种定性配置最适合设计者的目标。 化学反应网络（英语：Chemical Reaction Network）是一个IBM兼容计算机的程序，由PI编写，以便将反应网络理论的早期结果传播给广大受众。 预计在这项新赠款下完成的工作将纳入该计划的更全面版本。

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.