Repro-modelling based generation of intrinsic low-dimensional manifolds

András Büki, Tamás Perger, Tamás Turányi, Ulrich Maas

Research output: Contribution to journalArticle

20 Citations (Scopus)

Abstract

Effective procedures for the reduction of reaction mechanisms, including the intrinsic low-dimensional manifold (ILDM) and the repro-modelling methods, are all based on the existence of very different time scales in chemical kinetic systems. These two methods are reviewed and the advantages and drawbacks of them are discussed. An algorithm is presented for the repro-modelling based generation of ILDMs. This algorithm produces an unstructured table of ILDM points, which are then fitted using spline functions. These splines contain kinetic information on the behaviour of the chemical system. Combustion of hydrogen in air is used as illustrative example. Simulation results using the fitted model are compared with the outcome of calculations based on the detailed reaction mechanism for homogeneous explosions and 1D laminar flames.

Original languageEnglish
Pages (from-to)345-362
Number of pages18
JournalJournal of Mathematical Chemistry
Volume31
Issue number4
DOIs
Publication statusPublished - Dec 1 2002

Keywords

  • Chemical kinetics
  • Mechanism reduction
  • Slow manifolds
  • Time scale analysis

ASJC Scopus subject areas

  • Chemistry(all)
  • Applied Mathematics

Fingerprint Dive into the research topics of 'Repro-modelling based generation of intrinsic low-dimensional manifolds'. Together they form a unique fingerprint.

  • Cite this