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

这个小企业创新研究（SBIR）第一阶段项目将开发一个基于牛顿-克雷洛夫的计算流体动力学流动求解器，用于模拟必须考虑有限速率化学的反应流。将包括子模型，用于描述具有全局、骨架和简化机制的有限速率化学。非线性求解器策略将使用无矩阵牛顿-克雷洛夫方法，并将包括从应用特定数据构建的高质量预处理器，自适应强制项和用于问题初始化的网格排序。 第一阶段项目将展示非线性求解器策略的概念证明。 通过对炉内NOx生成过程的模拟，对改进后的计算效率进行了评估.第二阶段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佳技术，此外还将包括局部自适应网格细化和并行计算的能力。最终产品将在燃烧、化学过程和废物焚烧行业中得到工程师和科学家的商业应用，这些行业需要以经济有效的方式对复杂的化学反应流进行详细分析。

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.