Computational Modelling of n-Dodecane Combustion Kinetics Using Cantera: Mechanism Selection, Ignition Simulation, and Reaction Pathway Analysis
Amr Abbass Abbass
Paper Contents
Abstract
The advancement of computational combustion modelling has been driven by the rise of open-source frameworks and detailed chemical-kinetic mechanisms. This study develops a Cantera-based internal combustion engine simulation for n-dodecanea surrogate for diesel and jet fuelsusing a detailed reaction mechanism (nDodecane_Reitz.yaml). The model integrates full thermodynamic, kinematic, and kinetic coupling under realistic engine conditions (compression ratio 20, speed 3000 rpm). A comparative mechanism review identifies gri30.yaml for methanenatural gas, h2o2.yaml for hydrogen, and nDodecane_Reitz.yaml for diesel-type fuels. The reactor network incorporates intake, injection, and exhaust dynamics, with adaptive integration for precision. Results include pressuretemperature evolution, PV and TS diagrams, heat-release and work-rate synchronization, and transient species concentrations. Integral quantities release, work, efficiency, and emissions (CO, NOx)quantify global performance. The model demonstrates accurate reproduction of combustion phasing, energy conversion, and emission trends, establishing a robust computational foundation for multi-fuel and hydrogen transition studies in compression-ignition engines.
Copyright
Copyright © 2025 Amr Abbass. This is an open access article distributed under the Creative Commons Attribution License.