Exploring the first-stage ignition and model optimization in the comprehensive study of n-dodecane oxidation

n-Dodecane is commonly employed as a surrogate for investigating the combustion characteristics of jet and diesel fuels. Enhancing comprehension of its combustion behavior and developing accurate chemical kinetics models for simulating combustion is of paramount importance in engine development. This study focuses on a detailed exploration of n-dodecane oxidation kinetics under low-temperature conditions and presents a novel dataset concerning the first-stage ignition delay time. A broad spectrum of experimental conditions is investigated, encompassing a range of temperature (600 ∼ 1350 K), pressure (5 ∼ 20 atm), equivalence ratios (0.5 ∼ 1.0), and dilution gases (N₂ and Ar). Additionally, combustion experiments in a pure oxygen environment are performed, contributing valuable data to existing research. To enhance the precision of the chemical reaction kinetics model of n-dodecane, this study integrates updated rate coefficients obtained from the latest theoretical calculations for specific reaction classes. The improved rate rule provides a more accurate reference for the construction of the chemical reaction kinetics model of long straight alkane. The resulting improved model excels in accurately predicting both the first-stage ignition delay time and the total ignition delay time under a wide range of operational conditions. Additionally, the model performance is rigorously evaluated through a comprehensive assessment against a diverse array of datasets gathered from various literature references. The results show that, in contrast to the previously proposed model, this enhanced model provides highly reliable predictions over a broad range of parameters.