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

Youhi Morii, Hiroshi Terashima, Mitsuo Koshi, Taro Shimizu, Eiji Shima

Research output: Contribution to journalArticle

10 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)547-558
Number of pages12
JournalJournal of Computational Physics
Volume322
DOIs
Publication statusPublished - 2016 Oct 1
Externally publishedYes

Keywords

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

ASJC Scopus subject areas

  • Numerical Analysis
  • Modelling and Simulation
  • Physics and Astronomy (miscellaneous)
  • Physics and Astronomy(all)
  • Computer Science Applications
  • Computational Mathematics
  • Applied Mathematics

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