This study investigated the effects of initial temperature, equivalence ratio, and diesel injection timing on engine combustion and emission characteristics at high ammonia substitution ratios. Increased compression temperature and pressure significantly reduce ignition delay, enhance combustion speed and efficiency, and decrease N2O and unburned NH3 emissions. A strong correlation exists between the amount of N2O produced and the mass of unburned NH3 when ammonia combustion efficiency is high. The N2O distribution is concentrated near the cylinder walls and the bottom surface of the piston platform, in areas with high concentrations of unburned NH3. As the equivalence ratio increases from 0.6 to 0.75, flame propagation speed and indicated thermal efficiency (ITE) increase, while NOx, N2O, and unburned NH3 emissions decrease. The combustion performance and emissions were optimized by advancing the diesel injection timing and increasing the equivalence ratio to accelerate the combustion speed. This adjustment increases ITE to 47.6% at an 80% ammonia energy ratio. Post-optimization results show a reduction in unburned NH3 emissions from 51.7 g/kW·h to 5.9 g/kW·h and a decrease in N2O emissions from 0.930 g/kW·h to 0.370 g/kW·h, culminating in a 60.4% reduction in greenhouse gas (GHG) emissions.
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