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This work is an extension to a previously reported work on chemical kinetic mechanism reduction scheme for large-scale mechanisms. Here, Perfectly Stirred Reactor (PSR) was added as a criterion of data source for mechanism reduction instead of using only auto-ignition condition. As a result, a reduced n-hexadecane mechanism with 79 species for diesel fuel surrogate was successfully derived from the detailed mechanism. Following that, the reduced n-hexadecane mechanism was validated under auto-ignition and PSR conditions using zero-dimensional (0-D) closed homogeneous batch reactor in CHEMKIN-PRO software. Agreement was achieved between the reduced and detailed mechanisms in ignition timing predictions and the reduced n-hexadecane mechanism was able to reproduce species concentration profiles with a maximum error of 40%. Accordingly, two-dimensional (2-D) Computational Fluid Dynamic (CFD) simulations were performed to study the spray combustion phenomena within a constant volume bomb.

This work aims to study the effect of fuel inhomogeneity on the ignition process and subsequent combustion in a compression ignition Partially Premixed Combustion (PPC) engine using a primary reference fuel (PRF) in low load conditions. Five cases with injection timings ranging from the start of injection (SOI) at -70 crank angle degrees (CAD) to -17 CAD have been studied numerically and experimentally in a heavy duty (HD) piston bowl geometry. Intake temperature is adjusted to keep the combustion phasing constant. Three dimensional numerical simulations are performed in a closed cycle sector domain using the Reynolds Averaged Navier-Stokes (RANS) formulation with k-ϵ turbulence closure and direct coupling of finite rate chemistry. The results are compared with engine experiments. The predicted trends in required intake temperature and auto-ignition location for a constant combustion phasing are consistent with experiments.