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Virtual Chemistry

Scheme library

Virtual optimized kinetic schemes, organized by fuel and operating conditions.

Library organisation

Each scheme page provides:

  • the virtual scheme architecture
  • the target operating conditions for the optimization process
  • the optimization data required for the conduction of a reactive flow simulation, including thermochemical transport and kinetics properties
  • compariosn against detailed chemistry solutions
  • citation guidance
  • release notes
1

Browse by fuel & objective

Schemes are organized by fuel and targeted flame properties (heat release rate, pollutants, etc.). Find the mechanism that matches your target case in the catalog below.

2

Assess the validity domain

Every page documents the training conditions and shows validation against the detailed reference mechanism.

3

Download & cite

Download Cantera or CHEMKIN files directly, and cite both the scheme's dataset DOI and its reference mechanism.

Available schemes

Select a fuel, then pick the optimisation target. Unmatched objectives are on the roadmap.

Single fuels

Non-hydrocarbons

Hydrogen (Hâ‚‚)
Hydrogen - Air Virtual Scheme (EM2C-V-H2)

Citation and licensing

Please cite the linked publication(s) and respect the license or usage notes listed for each scheme.