A Reduced Mechanism for Low-Temperature Ignition of n‑Pentanol.

N-pentanol is a viable biofuel due to its capability to reduce pollutant emissions and its compatibility with both conventional internal combustion engines and advanced combustion strategies such as low-temperature combustion (LTC). This work presents a reduced kinetic mechanism for n-pentanol combustion, consisting of 66 species and 292 reactions, capable of modeling high- and low-temperature ignition, flame propagation, and heat release dynamics. The mechanism was developed using a validated methodology that integrates an n-pentanol submechanism into the San Diego base mechanism and applies a systematic reduction approach, including sensitivity analysis and steady-state approximation criteria. The reduced model accurately captures key combustion features, including negative temperature coefficient (NTC) behavior and low-temperature heat release in the 600-1000 K range. Validation against experimental data, such as ignition delay times, laminar flame speeds, and speciation measurements in a jet-stirred reactor, demonstrates high predictive capability across a wide range of conditions. A key contribution of this work is the introduction of a mathematical model to estimate the maximum temperature attained under low-temperature conditions, offering new insights into the heat release mechanisms that govern the thermal transition in this regime and their role in shaping the NTC phenomenon.