WorkPackage 4

Validation of kinetic models for the combustion of 2nd generation biofuels

New comprehensive kinetic models will be developed for an extended range of chemical classes in relation to 2G-biofuels combustion. They will be built in a hierarchical manner based on core kinetic schemes for the oxidation of hydrocarbons and oxygenates. The models extensions will rely on the computational work performed in WP3 and validated against the data obtained in WP1 and WP2. A particular care will be taken in order to predict more accurately the formation of pollutants, and key intermediates (e.g. HO2 and HONO) for a better understanding of ozone-fuel and NOx-fuel interactions.

  • The oxidation of 2nd generation biofuels, conventional fuels and surrogates: The experimental database obtained in WP 1 and WP 2 will allow the validation of the proposed kinetic models through: (1) accurate simulation of concentration profiles for reactants, stable intermediates, HO2, pollutants, and final products; (2) the simulation of fuel ignition in the micro channel reactor.
  • The oxidation of fuels perturbed by ozone, NO and NO2: The database obtained in WP1 and WP2 will allow validating further the proposed kinetic models through: (1) accurate simulation of concentration profiles for reactants, stable intermediates, HO2, HONO, and final products; (2) the simulation of fuel ignition in a HCCI engine and a micro channel reactor in presence of ozone, NO or NO2.