SBIR Phase II: A Newton-Krylov Based Solver for Modeling Finite Rate Chemistry in Reacting Flows

这个小型企业创新研究(SBIR)第二阶段项目将开发计算流体动力学(CFD)建模技术，该技术使用最先进的技术来模拟化学反应湍流中的有限速率化学，以及最近开发的用于求解非线性方程组的数值方法。在第一阶段，开发了一种改进的CFD求解器，它使用简化的化学动力学机制来模拟有限速率化学效应，并用无矩阵的牛顿-克雷洛夫方法求解得到的Stiff偏微分方程组。在第二阶段，将开发两个基于牛顿-克里洛夫的CFD工具，一个用于模拟湍流、扩散火焰的燃烧，另一个用于模拟湍流、预混合火焰。这项工作的商业潜力是电力行业、商业化工厂的设计者和建造者，以及化学过程加热器和其他工业炉子应用的设计者。

This Small Business Innovation Research (SBIR) Phase II project will develop computational fluid dynamic (CFD) modeling technology that uses state-of-the-art techniques for modeling finite rate chemistry in chemically reacting turbulent flows with recently developed numerical methods for solving systems of non-linear equations. In Phase I an improved CFD solver was developed that used reduced chemical kinetic mechanisms to model finite rate chemistry effect and solved the resulting stiff system of partial differential equations with a matrix-free Newton-Krylov method. In Phase II two Newton-Krylov based CFD tools will be developed, one to model combustion from turbulent, diffusion flames and the second to model turbulent, pre-mixed flames.The commercial potential for this work is the electric power industry, designers and builders of commercial chemical plants, and designers of chemical process heaters and other industrial furnace applications.