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Past experimental studies conducted by the current authors on a 13 liter 16.7:1 compression ratio heavy-duty diesel engine have shown that diesel-Compressed Natural Gas (CNG) Reactivity Controlled Compression Ignition (RCCI) combustion targeting low NOx emissions becomes progressively difficult to control as the engine load is increased. This is mainly due to difficulty in controlling reactivity levels at higher loads. For the current study, CFD investigations were conducted in CONVERGE using the SAGE combustion solver with the application of the Rahimi mechanism. Studies were conducted at a load of 5 bar BMEP to validate the simulation results against RCCI experimental data. In the low load study, it was found that the Rahimi mechanism was not able to predict the RCCI combustion behavior for diesel injection timings advanced beyond 30 degCA bTDC. This poor prediction was found at multiple engine speed and load points.