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

这个小型企业创新研究(SBIR)第一阶段项目将开发一个基于牛顿-克里洛夫的计算流体动力学流动解算器，用于模拟必须考虑有限速率化学的反应流动。将包括用于描述具有全局、骨架和简化机制的有限速率化学的子模型。非线性求解器策略将使用无矩阵的牛顿-克雷洛夫方法，并将包括由特定应用数据构造的高质量预条件、自适应强迫项和用于问题初始化的网格排序。第一阶段项目将演示非线性求解器策略的概念证明。我们将使用炉内NOx生成的模拟来评估改进后的计算效率。第二阶段的项目将专注于创建一个生产级使用的求解器。第二阶段的产品将使用第一阶段开发的最好的技术，此外还将包括本地自适应网格细化和并行计算的能力。最终产品将由燃烧、化工过程和垃圾焚烧行业的工程师和科学家进行商业应用，这些行业需要以具有成本效益的方式对复杂的化学反应流动进行详细分析。

This Small Business Innovation Research (SBIR) Phase I project will develop a Newton-Krylov based Computational Fluid Dynamics flow solver for simulating reacting flows that must account for finite rate chemistry. Sub-models will be included for describing the finite rate chemistry with global, skeletal and reduced mechanisms. The non-linear solver strategy will use a matrix-free Newton-Krylov method and will include high quality preconditioners constructed from application specific data, adaptive forcing terms and mesh sequencing for problem initialization. The Phase I project will demonstrate proof of concept for the non-linear solver strategy. Simulations of NOx formation in a furnace will be used to evaluate the improvedcomputational efficiency. The Phase II project will focus on creating a solver for production level use. The Phase II product will use the best techniques developed in Phase I and in addition will include capabilities for local adaptive grid refinement and parallel computing.The final product will find commercial application by engineers and scientists in the combustion, chemical process and waste incineration industries that need to perform detailed analysis of complex chemically reacting flows in a cost effective manner.