A Detailed Chemical Kinetic Sub-Model for Reacting Flow Computations

国际反应工程公司建议开发一个化学子模型，将详细的化学动力学速率和平衡考虑纳入反应流模型。该项目的目标包括证明在旨在减少化学动力学机制的方法中包括化学平衡考虑的可行性，创建可用于通用反应流模型的化学工具，并证明子模型的实用性。拟议的研究的目的是开发一种策略，通过该策略，可以从详细的化学动力学和热力学数据中提取特定反应过程的基本物理，并随后用于反应流计算。该方法将不依赖于部分平衡或稳态假设，并将允许人们准确地确定物种的非平衡水平。此外，有待开发的化学子模型将准确地说明并能够考虑没有化学动力学信息的实体（或物种）。

Reaction Engineering International proposes to develop a chemistry sub-model for the incorporation of detailed chemical kinetic rates and equilibrium considerations into reacting flow models. The objectives of this project include demonstrating the feasibility of including chemical equilibrium considerations in a method designed to reduce chemical kinetic mechanisms, creating a chemistry tool that is accessible to a generic reacting flow model, and demonstrating the utility of the sub-model. It is the intent of the proposed research to develop a strategy through which the underlying physics of specific reaction processes can be extracted from detailed chemical kinetic and thermodynamic data, and subsequently used in reacting flow computations. The approach will not rely on partial equilibrium or steady-state assumptions and will allow one to accurately determine non-equilibrium levels of species. Furthermore, the chemical sub-model to be developed will accurately account for and be able to consider entities (or species) for which there is no chemical kinetic information.