An iterative dynamic chemical stiffness removal method for reacting flow simulations

Xu, Chao; Lu, Tianfeng

doi:10.1007/s44270-024-00006-2

Title: An iterative dynamic chemical stiffness removal method for reacting flow simulations

Journal Article · 22 January 2025 · Propulsion and Energy

DOI: https://doi.org/10.1007/s44270-024-00006-2 · OSTI ID:2504257

; Lu, Tianfeng

Abstract An iterative dynamic chemical stiffness removal method (IDCSR) based on quasi-steady-state approximation (QSSA) is proposed. The IDCSR method is built on a previously developed non-iterative method which has proved to work well for small timestep sizes. A novel iterative procedure is designed in IDCSR to enable explicit time integration of stiff chemistry at relatively large timestep sizes relevant to practical reacting flow simulations. The effectiveness of the iterative procedure is first demonstrated with a toy problem and homogeneous auto-ignition with fixed integration step sizes, showing that larger timestep sizes can be allowed for explicit time integration using IDCSR compared with the previous non-iterative method. IDCSR is then compared with existing explicit chemistry solvers for simulations of homogeneous auto-ignition and shows similar or lower computational cost but significantly higher accuracy across a wide range of timestep sizes. IDCSR is further combined with an automatic adaptive time-stepping scheme for simulations of 0-D homogeneous auto-ignition and a 2-D laminar lifted n -dodecane jet flame. For the 0-D auto-ignition simulations, IDCSR is shown to reduce both the error (by 43%–90%) and computational cost (by 6–15 times) compared with existing explicit solvers, while achieving speed-up factors of up to 400 compared with VODE for a wide range of timestep sizes and reaction mechanisms. For the 2-D jet flame simulations, speed-up factors of 15 and 31 for chemistry integration, and 5 and 9 for overall simulation, are achieved by IDCSR compared with CVODE with and without analytic Jacobian, respectively.

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Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Vehicle Technologies Office (VTO)

Grant/Contract Number:: EE0008875

OSTI ID:: 2504257

Journal Information:: Propulsion and Energy, Journal Name: Propulsion and Energy Journal Issue: 1 Vol. 1; ISSN 2948-2089

Publisher:: Springer Science + Business MediaCopyright Statement

Country of Publication:: Country unknown/Code not available

Language:: English

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