Image showing simulation result of a ramjet combustor, using 50% hydrogen and 50% ethylene as fuel. The mechanism used in the simulation is the Z66 ethylene mechanism that can be downloaded below. The simulation results where presented at the ICAS conference in Stockholm in 2022.

Reaction mechanisms for use in Computational Fluid Dynamics

The modelling performance of a reaction mechanism can profoundly impact the overall results of a reactive Computational Fluid Dynamic (CFD) simulation. For many fuels, especially hydrogen and hydrocarbons,  several highly detailed reaction mechanisms can be found in the open literature. Most of these mechanisms however are too computationally expensive to be used in three dimensional reactive CFD simulations.

The research area of reaction mechanisms with a reduced size, i.e. with a reduced number of species and reactions compared to detailed mechanisms, specifically designed to be computationally cheap enough for CFD, is evolving quickly.

This website offers free download of detailed and reduced reaction mechanisms, targeted for use in CFD, which have all been published in the open literature. All mechanisms have been developed with the goal at combining a high modelling capacity together with a low computational cost. Each presented mechanism is accompanied by a short overall description, and reference(s) how to cite.

All reaction mechanisms are available for download in both Chemkin and Cantera (.yaml and .cti) formats.

Reaction mechanism download

Download detailed hydrogen (H2) reaction mechanisms. Two versions are available, Z22 and Z24.

Download reduced methane (CH4) reaction mechanisms. Two versions are available, Z42 and Z46.

Download reduced ethylene (C2H4) reaction mechanisms. Two versions are available, Z66 and Z70.

Download reduced dimethyl ether (DME) reaction mechanism.

Download reduced ethanol (C2H5OH) reaction mechanism.

Download reduced propane (C3H8) reaction mechanisms. Two versions are available, Z66 and Z87.

Download reduced n-heptane (n-C7H16) reaction mechanism.

Download reduced JP-10 (C10H16) mechanisms. Two versions are available, the original Z77 and the updated Z77 v2.

Download reduced biofuel C5 (C10H19) mechanism.

Download reduced Jet A (C11H22) mechanism.

Download reduced JP-5 (C12H23) mechanisms. Three versions are available, Z65, Z77 and the updated Z79.

Download reduced biofuel C1 (C13H28) mechanism.

Download reduced Fatty Acid Methyl Esters (FAME) mechanism.

Download detailed hydrogen reaction mechanism (Z22) combined with a reduced NOx mechanism (ZNOx20).