Computational investigation of combustion and emission characteristics of HCCI engine fueled with Carbon-Free NH3 -H2O2 blend

A computational investigation is provided of the utilization of blends of NH3 and H2O2 as carbonless fuels for HCCI combustion. A Computational Fluid Dynamics (CFD) model is developed and validated to assess the engine's performance under varying proportions of NH3 and H2O2, equivalence ratios, and inlet temperatures. The heat release rate profiles demonstrated dual peaks, which were rationalized as an initial fuel decomposition followed by a slow thermal explosion and then a fast depletion of the fuel after the generation of a pool of OH radicals through decomposition of H2O2. Findings suggest that an increase in mole fraction of H2O2 advances combustion. Increasing the H2O2 volume fraction also decreases combustion duration, while increasing the IMEP. In-cylinder peak pressure and Maximum Pressure Rise Rate (MPRR) increase with H2O2 mole fraction, leading to reduced thermal efficiency, particularly at higher equivalence ratios, and an increased danger of uncontrolled combustion (knocking). Additionally, higher inlet mixture temperatures were shown to result in an advancement in the start of combustion and a reduction in combustion duration, with a corresponding increase in peak pressure. This points to the possibility of potentially controlling the notoriously difficult-to-control HCCI combustion through intake temperature for NH3/H2O2 fuel blends. However, increased NOx emissions are observed for increased intake temperature and in any case the NOx emissions are orders of magnitude above current regulatory limits, which means that practical engine operation will only be possible with an aftertreatment scheme based on the de-NOx activity of NH3.