ERENA: A fast and robust Jacobian-free integration method for ordinary differential equations of chemical kinetics

作者：Morii Youhi; Terashima Hiroshi; Koshi Mitsuo; Shimizu Taro; Shima Eiji

来源：Journal of Computational Physics, 2016, 322: 547-558.

DOI：10.1016/j.jcp.2016.06.022

• Stiffness
• Ordinary differential equations
• Chemical reaction equations
• Jacobian-free integration method
• Computational fluid dynamics

We herein propose a fast and robust Jacobian-free time integration method named as the extended robustness-enhanced numerical algorithm (ERENA) to treat the stiff ordinary differential equations (ODEs) of chemical kinetics. The formulation of ERENA is based on an exact solution of a quasi-steady-state approximation that is optimized to preserve the mass conservation law through use of a Lagrange multiplier method. ERENA exhibits higher accuracy and faster performance in homogeneous ignition simulations compared to existing popular explicit and implicit methods for stiff ODEs such as VODE, MTS, and CHEMEQ2. We investigate the effects of user-specified threshold values in ERENA, to provide trade-off information between the accuracy and the computational cost.

• 出版日期2016-10-1