D1.3 – Report on kinetic mechanisms and radiation modelling

This report deals with updating the kinetic mechanism for H2/O2 combustion and extending radiation models suitable for high H2O content furnace atmosphere. This deliverable is a summary of Task 1.4 of HyInHeat project, and the mechanism scheme and radiation models from this report will be used for the development of efficient simulation platforms for turbulent H2/O2 and H2/air flames for real application environments in Task 2.3 of HyInHeat.


The document is subdivided into two parts: part I is the development of H2/O2 combustion kinetic mechanism, while part II focuses on radiation modelling and heat transfer for engineering (using RANS) and high-fidelity (using LES) simulations. The outlines for these two parts are:

H2/O2 combustion kinetic: the motivation of the combustion mechanism development is first introduced; generally, the Laminar Burning Velocity (LBV) is used for the mechanism validation, and an overview of the current state-of-the-art in the field is provided, for both LBV measurements and chemical mechanism under H2/O2 combustion environment; after introducing the experimental and simulation methods, as well as kinetic mechanism review process, the trends of experiments and comparisons between measurements and simulations are discussed, in closing a suitable mechanism for H2/O2 combustion is suggested.

Radiation modelling and heat transfer for engineering (RANS) and high-fidelity (LES) simulations: thermal radiation modelling is reviewed. The P1-approximation and DOM models are widely described since due to the results obtained in the literature and their related cost they are considered as potential candidates for implementation in Alya [1], the multi-physics code developed at the Barcelona Supercomputing Center. For the sake of completeness, the MC method is also described. Results obtained from the RANS modelling with previous models of a high-temperature combustion system available in the IOB laboratory at RWTH Aachen University are given. These results will also be used to choose the most convenient thermal radiation model for the LES simulations.

Objectives and subtasks

This report aims to provide an updated chemical kinetic mechanism and gas radiation models to H2/O2 turbulent combustion simulation in lab-scale and also at the industrial process level. To this end, the following subtasks are fulfilled:

  • Laminar burning velocity experiments.
  • Instability maps.
  • New kinetic scheme.
  • Revise approaches in the RANS framework: to allow efficient simulation of radiative heat transfer.
  • Extend radiation models to be used in the LES framework.
  • Evaluate prediction quality and computational effort.


Alex Garcia Vergara, Christian Schwenzer, Daniel Mira, Eduardo Pérez, Franziska Ott, Huanhuan Xu, Joachim Beeckmann, Johannes Losacker, Raymond Langer, Sanket Girhe
Leading organisation: RWTH Aachen University

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