Detailed chemistry-based computational fluid dynamics (CFD) simulations are computationally expensive due to the solution of the underlying chemical kinetics system of ordinary differential equations (ODEs). Here, we introduce a novel open-source library aiming at speeding up such reactive flow simulations using OpenFOAM, an open-source C++ software for CFD. First, our dynamic load balancing model DLBFoam (Tekg\"ul et al., 2021) is utilized to mitigate the computational imbalance due to chemistry solution in multiprocessor reactive flow simulations. Then, the individual (cell-based) chemistry solutions are optimized by implementing an analytical Jacobian formulation using the open-source library pyJac, and by increasing the efficiency of the ODE solvers by utilizing the linear algebra package LAPACK. We demonstrate the speed-up capabilities of this new library on various combustion problems. These test problems include a 2D turbulent reacting shear layer and 3D stratified combustion to highlight the favorable scaling aspects of the library on ignition/flame front initiation setups for dual-fuel combustion. Furthermore, two fundamental 3D demonstrations are provided on non-premixed and partially premixed flames, namely the ECN Spray A and the Sandia flame D experimental configurations. The novel model offers up to two orders of magnitude speed-up for most of the investigated cases. The openly shared code along with the test case setups represent a radically new enabler for reactive flow simulations in the OpenFOAM framework.
翻译:由于普通差异方程式(ODEs)的基本化学动能系统(CFD)的解决方案,基于详细化学的计算流动态模拟(CFD)的计算成本非常昂贵。在这里,我们引入了一个新的开放源库库,目的是利用开放源码的 C++ CFD软件Open-FoAAM加速这种反应流模拟。首先,我们利用动态负载平衡模型DLBFOAM(Tekg\'ul等人,2021)来缓解多处理器被动流模拟中化学溶解引起的计算不平衡。然后,个人(基于细胞的)化学解决方案通过使用开放源库皮亚克(ODOD)的分析性 Jacobian配方来优化,并通过使用线形代数的代数的C+CFAM软件软件软件包LAPACK来提高OD解算器的效率。我们展示了这个新图书馆在各种燃烧问题上的加速能力。这些测试问题包括 2D 振动感应感和3D调的燃烧,以突出关于双重燃料燃烧的火动/火动前的模拟结构。另外2个基础的SpDFIS 样演示是用于Slix前的Spral SA 的Sprilling 和Sreal Streal 样样样样样样样样样样样式的硬件。