Hydrogen is emerging as a compelling energy carrier for future transportation due to its potential to enable fully decarbonised operation and near-zero tailpipe pollutant emissions. Realising this potential in reciprocating internal combustion engines requires a detailed understanding of the complex interactions governing hydrogen combustion and emissions formation. In this context, physics-based reduced-order emission predictive modelling offers a powerful means to accelerate the development and optimisation of hydrogen-fuelled engines by enabling rapid evaluation of operating strategies without the need for extensive experimental campaigns. This study investigates the simulation of nitrogen oxides (NOx) and unburned hydrogen (uH2) emissions from a 0.5L spark-ignition direct injection single-cylinder research engine within a 1D-0D simulation approach. For NOx prediction, a simplified kinetic mechanism is coupled with both a 0D two-zone combustion model and a thermal multi-zone in-cylinder representation, enabling assessment of the need to account for temperature stratification for accurate prediction. For uH₂ emissions, phenomenological sub-models describing flame wall quenching and top-land crevice mechanisms are implemented and calibrated to capture the dominant sources of hydrogen escape during combustion.
The models are validated against an experimental dataset spanning a wide range of engine conditions, including variations in engine load, relative air–fuel ratio from stoichiometric to ultra-lean combustion, dilution via exhaust gas recirculation, and spark timing. The comparison highlights the models' ability to reproduce observed physical trends across different engine operating conditions for both NOx and uH2. Regarding NOx emissions, the accounting of temperature stratification with the multi-zone model enables more accurate predictions of trends and absolute values. The uH2 model provides fundamental insights into hydrogen engine flame propagation by highlighting the need for flame propagation in the top-land crevice at richer λ to reproduce observed trends. Overall, the study provides insights into both hydrogen-specific emission mechanisms and key modelling requirements for accurate pollutant simulation in hydrogen engines.