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Results from a large set of HCCI experiments performed on a single-cylinder research engine fueled with different mixtures of iso-octane and n-heptane are presented and discussed in this paper. The experiments are designed to scrutinize fuel reactivity effects on the operating range of an HCCI engine. The fuel effects on upper and lower operating limits are measured respectively by the maximum pressure rise rate inside the cylinder and the stability of engine operation as determined by cycle-to-cycle variations in IMEP. Another set of experiments that examine the intake air heating effects on HCCI engine performance, exhaust emissions and operating envelopes is also presented. The effects of fuel reactivity and intake air heating on the HCCI ranges are demonstrated by constructing the operating envelopes for the different test fuels and intake temperatures.

A multi-objective optimization scheme based on stochastic global search is developed and used to examine the performance of an HCCI model containing a reduced chemical kinetic mechanism, and to study interrelations among different model responses. A stochastic reactor model of an HCCI engine is used in this study, and dedicated HCCI engine experiments are performed to provide reference for the optimization. The results revealed conflicting trends among objectives normally used in mechanism optimization, such as ignition delay and engine cylinder pressure history, indicating that a single best combination of optimization variables for these objectives did not exist. This implies that optimizing chemical mechanisms to maintain universal predictivity across such conflicting responses will only yield a predictivity tradeoff. It also implies that careful selection of optimization objectives increases the likelihood of better predictivity for these objectives.

Regulations concerning emissions from diesel- and gasoline-fuelled engines are becoming ever more stringent in all parts of the world. Historically these targets have been achieved through on-going technological development using an iterative process of computational modeling, design, build and test. Computational modeling is certainly the cheapest aspect within this process and if employed to meet more of the challenges associated with development, has the potential to significantly reduce developmental cost and time scales. Furthermore, computational models are an effective means to retain and apply often highly focused technical knowledge of complex processes within development teams thus delivering greater insight into processes.

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 previously developed Stochastic Reactor Model (SRM) is used to simulate combustion in a four cylinder in-line four-stroke naturally aspirated direct injection Spark Ignition (SI) engine modified to run in Homogeneous Charge Compression Ignition (HCCI) mode with a Negative Valve Overlap (NVO). A portion of the fuel is injected during NVO to increase the cylinder temperature and enable HCCI combustion at a compression ratio of 12:1. The model is coupled with GT-Power, a one-dimensional engine simulation tool used for the open valve portion of the engine cycle. The SRM is used to model in-cylinder mixing, heat transfer and chemistry during the NVO and main combustion. Direct injection is simulated during NVO in order to predict heat release and internal Exhaust Gas Recycle (EGR) composition and mass. The NOx emissions and simulated pressure profiles match experimental data well, including the cyclic fluctuations.

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.