NOx Formation Characteristics of Lean Hydrogen Combustion: From 0D Analysis to Comprehensive 3D-CFD Engine Investigations

The transition toward climate-neutral transportation requires powertrain concepts that combine high efficiency with low pollutant emissions. In this context, hydrogen-fueled internal combustion engines represent a promising solution when hydrogen is produced from renewable energy sources. Owing to its specific molecular properties, hydrogen offers new possibilities for influencing and optimizing the combustion process and reducing the emission formation. This paper presents a numerical approach for characterizing the NOx formation in a single-cylinder research engine equipped with port fuel injection and a passive pre-chamber ignition system. The single-cylinder is operated over a wide range of engine loads and speeds, covering air-to-fuel ratios from λ=1.5 to 2.5 and achieving up to 23 bar indicated mean effective pressure. The study focuses on the influence of engine load and mixture composition on NOx emissions. A dedicated look-up table approach in combination with several reaction parameters based on the extended Zeldovich mechanism are evaluated through comparison with experimental data. Furthermore, multiple sampling positions within the CFD mesh are examined. The simulations reproduce measured trends across variations in load and air-to-fuel ratio with good accuracy. At high load and λ=1.5, NOx emissions of up to 6000 ppm are produced, decreasing exponentially with increasing excess air. Finally, potential NOx reduction strategies for the single-cylinder are examined. While influencing the mixture homogenization shows limited effectiveness, temperature-based actions prove to be more effective. Among the investigated approaches, a Miller intake valve strategy yields the largest benefit, achieving approximately 10% NOx reduction by lowering end-of-compression temperatures and increasing residual gas dilution under otherwise identical operating conditions.