Optimization of simplified combustion mechanism of n-butanol based on Shuffled Frog Leaping Algorithm

Using n-butanol as an alternative fuel has remained a key approach for diesel engines to improve combustion performance and minimize CO and Soot emissions. Herein, to investigate the ignition and combustion behavior of n-butanol, the preliminary simplified mechanism of n-butanol was established by decoupling methodology. Then, the Shuffled Frog Leaping Algorithm (SFLA) was employed for the first time to optimize the rate constants, whereas a comprehensive sensitivity evaluation (CSE) method to identify the reaction and working condition to be optimized was offered. To assess the performance of optimized mechanism, the predicted ignition delay time (IDT), species concentration and laminar flame speed were compared to the experimental data from multiple publications. The results reveal that the estimates based on this mechanism are in good agreement with experimental data. The combustion properties of n-butanol are effectively reconstructed by this method, and it is more computationally efficient than detailed chemical models. This study provides a new idea to construct the simplified mechanism and offers a theoretical basis for the application of n-butanol fuel.