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This paper describes a novel design and verification process for analytical methods used in the development of advanced combustion strategies in internal combustion engines (ICE). The objective was to improve brake thermal efficiency (BTE) as part of the US Department of Energy SuperTruck program. The tools and methods herein discussed consider spray formation and injection schedule along with piston bowl design to optimize combustion efficiency, air utilization, heat transfer, emission, and BTE. The methodology uses a suite of tools to optimize engine performance, including 1D engine simulation, high-fidelity CFD, and lab-scale fluid mechanic experiments. First, a wide range of engine operating conditions are analyzed using 1-D engine simulations in GT Power to thoroughly define a baseline for the chosen advanced engine concept; secondly, an optimization and down-select step is completed where further improvements in engine geometries and spray configurations are considered.

In this paper, computation fluid dynamics (CFD) simulations are employed to describe the effect of flow parameters on the formation of soot and NOx in a heavy duty engine under low load and high load. The complexity of diesel combustion, specially when soot, NOx and other emissions are of interest, requires using a detailed chemical mechanism to have a correct estimation of temperature and species distribution. In this work, Multiple Representative Interactive Flamelets (MRIF) method is employed to describe the chemical reactions, ignition, flame propagation and emissions in the engine. A phenomenological model for soot formation, including soot nucleation, coagulation and oxidation with O2 and OH is incorporated into the flamelet combustion model. Different strategies for modelling NOx are chosen to take into account the longer time scale for NOx formation. The numerical results are compared with experimental data to show the validity of the model for the cases under study.