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Analyzing the combustion characteristics, engine performance, and emissions pathways of the internal combustion (IC) engine requires management of complex and an increasing quantity of data. With this in mind, effective management to deliver increased knowledge from these data over shorter timescales is a priority for development engineers. This paper describes how this can be achieved by combining conventional engine research methods with the latest developments in process informatics and statistical analysis. Process informatics enables engineers to combine data, instrumental and application models to carry out automated model development including optimization and validation against large data repositories of experimental data.

This research describes the potential to adopt detailed chemical kinetics for practical and potential future fuels using tri-component surrogate mixtures capable of simulating fuel octane “sensitivity” . Since the combustion characteristics of modern fuels are routinely measured using the RON and MON of the fuel, a methodology to generate detailed chemical kinetic mechanisms for these fuels based on these data is presented. Firstly, a novel correlation between various tri-component blends (comprised of i-octane, n-heptane and toluene) and fuel RON and MON was obtained by carrying out standard octane tests. Secondly, a chemical kinetic mechanism for tri-component fuels was validated using a Stochastic Reactor Model (SRM) suite, an in-cylinder engine combustion simulator, and a series of engine experiments conducted in HCCI operating mode.

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.

Two-stage fuel direct injection (DI) has the potential to expand the operating region and control the auto-ignition timing in a Diesel fuelled homogeneous charge compression ignition (HCCI) engine. In this work, to investigate the dual-injection HCCI combustion, a stochastic reactor model, based on a probability density function (PDF) approach, is utilized. A new wall-impingement sub-model is incorporated into the stochastic spray model for direct injection. The model is then validated against measurements for combustion parameters and emissions carried out on a four stroke HCCI engine. The initial results of our numerical simulation reveal that the two-stage injection is capable of triggering the charge ignition on account of locally rich fuel parcels under certain operating conditions, and consequently extending the HCCI operating range.