Brakora, J., Ra, Y., Reitz, R., McFarlane, J. et al., "Development and Validation of a Reduced Reaction Mechanism for Biodiesel-Fueled Engine Simulations," SAE Int. J. Fuels Lubr. 1(1):675-702, 2009, doi:10.4271/2008-01-1378.
In the present study a reduced chemical reaction mechanism for biodiesel surrogate fuel was developed and validated for multi-dimensional engine combustion simulations. An existing detailed methyl butanoate mechanism that contained 264 species and 1219 reactions was chosen to represent the oxygenated portion of the fuel. The reduction process included flux analysis, ignition sensitivity analysis, and optimization of reaction rate constants under constant volume conditions. The current reduced mechanism consists of 41 species and 150 reactions and gives predictions in excellent agreement with those of the comprehensive mechanism.In order to validate the mechanism under biodiesel-fueled engine conditions, it was combined with another skeletal mechanism for n-heptane oxidation. This combined reaction mechanism can be used to adjust the energy content of the fuel, and account for diesel/biodiesel blend engine simulations. The combined mechanism, ERC-bio, contains 53 species and 156 reactions. Biodiesel-fueled engine operation was successfully simulated using the ERC-bio mechanism.