Reduced kinetic mechanism for modeling high-temperature ignition and flames for n-pentanol

Abstract

N-pentanol emerges as a promising substitute for fossil fuel due to its potential in reducing greenhouse gas emissions. This work presents a reduced combustion mechanism for modeling high-temperature ignition (T>1000 K) and flames for n-pentanol/air mixtures. The model comprises only 64 species and 282 chemical reactions. As we know, this is the first comprehensive study to include all available experimental data for these phenomena and this specific fuel/oxidizer mixture, reported in the literature. Our approach involves coupling a detailed sub-mechanism for n-pentanol to the San Diego mechanism, a reduced scheme for C1-C4 hydrocarbons, followed by systematic reduction using sensitivity analysis and steady-state approximation. We quantitatively assessed the agreement between experimental data and simulation results using deviation or error indicators, along with graphical comparisons. Remarkably, the ignition delay times, and flame speeds calculated using the reduced kinetic model exhibit a high agreement regarding the experimental data reported in the literature.