A detailed kinetic mechanism has been developed to simulate the combustion of H2/O2 mixtures, over a wide range of temperatures, pressures, and equivalence ratios. Over the series of experiments numerically investigated, the temperature ranged from 298 to 2700 K, the pressure from 0.05 to 87 atm, and the equivalence ratios from 0.2 to 6.

Ignition delay times, flame speeds, and species composition data provide for a stringent test of the chemical kinetic mechanism, all of which are simulated in the current study with varying success. A sensitivity analysis was carried out to determine which reactions were dominating the H2/O2 system at particular conditions of pressure, temperature, and fuel/oxygen/diluent ratios. Overall, good agreement was observed between the model and the wide range of experiments simulated. © 2004 Wiley Periodicals, Inc. Int J Chem Kinet 36: 603–622, 2004

/pdf/a-comprehensive-modeling-study-of-hydrogen-oxidation-4urakgs38l.pdf

A comprehensive modeling study of hydrogen oxidation

https://pepiot.mae.cornell.edu/pdf/Pepiot_DRGEP_CF_2008.pdf

An efficient error-propagation-based reduction method for large chemical kinetic mechanisms

Turbulent flame speed and thickness: phenomenology, evaluation, and application in multi-dimensional simulations

The Lagrangian Flamelet Model is formulated as a combustion model for large-eddy simulations of turbulent jet diffusion flames. The model is applied in a large-eddy simulation of a piloted partially premixed methane/air diffusion flame (Sandia flame D). The results of the simulation are compared to experimental data of the mean and RMS of the axial velocity and the mixture fraction and the unconditional and conditional averages of temperature and various species mass fractions, including CO and NO. All quantities are in good agreement with the experiments. The results indicate in accordance with experimental findings that regions of high strain appear in layer like structures, which are directed inwards and tend to align with the reaction zone, where the turbulence is fully developed. The analysis of the conditional temperature and mass fractions reveals a strong influence of the partial premixing of the fuel.

Large-eddy simulation of a turbulent piloted methane/air diffusion flame (Sandia flame D)

https://hal.archives-ouvertes.fr/hal-00803230/document

Large Eddy Simulations of gaseous flames in gas turbine combustion chambers

This book is an introduction to the up-to-date technology used in reducing kinetic mechanisms especially for combustion systems. However, it can also be used as a handbook, in that it presents the most recent methods for modelling a variety of systems. In addition it presents existing software for reducing mechanisms and flame calcualtions for mixed and pre-mixed flames and fuels ranging from hydrogen to propane, and it defines a format for general flamelet libraries. Details are thoroughly compared with experimental data. This volume addresses scientists, graduate students and chemical engineers in industry and environmental research.

Reduced Kinetic Mechanisms for Applications in Combustion Systems

Turbulent two-phase counterflow flames are modelled and numerically simulated. Detailed models of gasphase, liquid phase and mass, momentum and energy transfer between the phases are taken into account as well as a variable droplet-size distribution. The gasphase flowfield model and the numerical-solution algorithm are validated using experimental data available for non-reacting counterflow without spray. Numerical predictions are presented and discussed for the general case of spray in a turbulent reacting counterflow. 

Bernd Rogg

Papers

Reduced Kinetic Mechanisms for Applications in Combustion Systems

2-d computer modelling of turbulent two-phase counterflow flames