Simulação híbrida de emissões em motor diesel: integração Cantera-modelos empíricos para diesel e H2-diesel

Abstract

This research focuses on assessing the accuracy of a digital model used to simulate the emissions of internal combustion engines operating with alternative fuels. The growing concern about climate change and the urgent need to reduce greenhouse gas emissions have driven the search for cleaner transportation technologies, with hydrogen standing out as a complementary option to diesel. In this context, using the open-source platform Cantera, a model based on chemical equilibrium was developed to evaluate the concentration of carbon dioxide (CO₂), carbon monoxide (CO), and residual oxygen (O₂) in the exhaust gases of a single-cylinder compression-ignition engine running on pure diesel and on a hydrogen–diesel blend. Diesel was represented by n-dodecane (C₁₂H₂₆), a common surrogate in combustion simulations, while hydrogen was modeled as molecular H₂. The original experimental study serves as a reference to validate the simulated results, enabling direct comparison between the model’s predictions and the real test data. The simulation was performed for different configurations, varying engine speed (3000 and 3600 RPM), applied torque (3 and 7 Nm), and hydrogen energy share (HES of 0% and 25%), totaling eight different conditions. The analysis evaluates the model’s accuracy using statistical indicators such as the mean absolute error (MAE) and mean absolute percentage error (MAPE), demonstrating the capability of the simulation to reproduce experimental trends and identifying the situations in which the model most closely matches real data. The results show that the equilibrium-based approach is able to capture changes in CO₂ emissions according to operating conditions, with improved performance under high-load scenarios. This work highlights the usefulness of computational simulation as an accessible tool for parametric studies, engine improvement, and initial analysis of emission-reduction strategies, supporting the development of more sustainable technologies in the transportation and energy sectors.