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Virtual Chemistry
Virtual Chemistry · Optimized kinetic schemes for reactive flows

A Platform for Sharing Optimized Chemical Kinetic Mechanisms for Flame Simulation.

This is a lab-maintained hub for downloading validated kinetic schemes, browsing associated publications, and documenting model assumptions, validation ranges, and available file formats.

1
Published scheme
1
Fuel covered · H2
9
Linked publications
Schemes in action

From optimized chemistry to resolved flames.

Simulations computed with schemes published on this site, side by side with the detailed chemistry they replace.

2-D laminar Bunsen flame — detailed chemistry (left) vs. this virtual scheme (right) Premixed & counterflow flames (EM2C-V-H2) →
Turbulent H₂ flames in the HYLON burner (LES) — attached and lifted, detailed vs. virtual chemistry
Turbulent H₂ flames in the HYLON burner (LES) — attached and lifted, detailed vs. virtual chemistry Premixed & counterflow flames (EM2C-V-H2) →
The method

What is a virtual scheme?

A virtual scheme is not a skeletal subset of a detailed mechanism. It is a compact set of virtual species and virtual reactions whose rate, thermodynamic and transport parameters are optimized so that a handful of reactions reproduces target flame quantities - laminar flame speed, temperature, heat release rate - computed with the detailed mechanism it was trained against.

Each scheme published here documents that training: the reference mechanism, the conditions it was fitted over, and validation against detailed-chemistry solutions, from 1-D canonical flames up to turbulent 3-D burners.

Read the publications behind the method →
Latest releases

Latest schemes

Collaboration

Any questions regarding the schemes?

Do not hesitate to contact us for any questions regarding the schemes, or if you want to contribute to the project.

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