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Premixed Charge Compression Ignition (PCCI), a Low Temperature Combustion (LTC) strategy for diesel engines is of increasing interest due to its potential to simultaneously reduce soot and NOx emissions. However, the influence of mixture preparation on combustion phasing and heat release rate in LTC is not fully understood. In the present study, the influence of injection timing on mixture preparation, combustion and emissions in PCCI mode is investigated by experimental and computational methods. A sequential coupling approach of 3D CFD with a Stochastic Reactor Model (SRM) is used to simulate the PCCI engine. The SRM accounts for detailed chemical kinetics, convective heat transfer and turbulent micro-mixing. In this integrated approach, the temperature-equivalence ratio statistics obtained using KIVA 3V are mapped onto the stochastic particle ensemble used in the SRM.

A detailed chemical model was implemented in the KIVA-3V two dimensional CFD code to investigate the effects of the spray cone angle and injection timing on the PCCI combustion process and emissions in an optical research diesel engine. A detailed chemical model for Primary Reference Fuel (PRF) consisting of 157 species and 1552 reactions was used to simulate diesel fuel chemistry. The model validation shows good agreement between the predicted and measured pressure and emissions data in the selected cases with various spray angles and injection timings. If the injection is retarded to -50° ATDC, the spray impingement at the edge of the piston corner with 100° injection angle was shown to enhance the mixing of air and fuel. The minimum fuel loss and more widely distributed fuel vapor contribute to improving combustion efficiency and lowering uHC and CO emissions in the engine idle condition.

Employing detailed chemistry into modern engine simulation technologies has potential to enhance the robustness and predictive power of such tools. Specifically this means significant advancements in the ability to compute the onset of ignition, low and high temperature heat release, local extinction, knocking, exhaust gas emissions formation etc. resulting in a set of tools which can be employed to carry out virtual engineering studies and add additional insight into common IC engine development activities such as computing IMEP, identifying safe/feasible operating ranges, minimizing exhaust gas emissions and optimizing operating strategy. However the adoption of detailed chemistry comes at a greater computational cost, this paper investigates the means to retain computational robustness and ease of use whist reducing computational timescales.

This paper builds upon recent publication (SAE Technical Paper 2011-01-1388, 2011, doi:10.4271/2011-01-1388) and outlines the on-going development of an advanced simulator for virtual engine mapping and optimization of engine performance, combustion and emissions characteristics. The model is further advanced through development of new sub-models for turbulent mixing, multiple injection events, variable injection pressures, engine breathing and gas exchange, as well as particulates formation and oxidation. The result is a simulator which offers engine design and performance data typically associated with 1D thermodynamic engine cycle simulations but with the "physics-based" model robustness usually associated with 3D CFD methods. This combination then enables efficient optimization of engine design with respect to engine performance, combustion characteristics and exhaust gas emissions.