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This paper presents numerical simulations of in-cylinder soot evolution in the optically accessible heavy-duty diesel engine of Sandia Laboratories performed with the conditional moment closure (CMC) model employing a reduced n-heptane chemical mechanism coupled with a two-equation soot model. The influence of exhaust gas recirculation (EGR) on in-cylinder processes is studied considering different ambient oxygen volume fractions (8 - 21 percent), while maintaining intake pressure and temperature as well as the injection configuration unchanged. This corresponds to EGR rates between 0 and 65 percent. Simulation results are first compared with experimental data by means of apparent heat release rate (AHRR) and temporally resolved in-cylinder soot mass, where a quantitative comparison is presented. The model was found to fairly well reproduce ignition delays as well as AHRR traces along the EGR variation with a slight underestimation of the diffusion burn portion.

An optically accessible Rapid Compression Expansion Machine (RCEM) has been used to investigate the homogeneous auto-ignition of five candidate fuels for Homogenous Charge Compression Ignition (HCCI) combustion. Two technical fuels (Naphthas) and three primary reference fuels (PRF), (n-heptane, PRF25 and PRF50) were examined. The Cetane Numbers (CN) of the fuels range from 35 to 56. The PRF25 and PRF50 were selected in order to approximately match the CN of the two Naphthas. Variation of the operating parameters has been performed, in regard to initial charge temperature of 383, 408, and 433K, exhaust gas recirculation (EGR) rate of 0%, 25%, and 50%, and equivalence ratio of 0.29, 0.38, 0.4, 0.53, 0.57, and 0.8. Pressure indication measurements, OH-chemiluminescence imaging, and passive spectroscopy were simultaneously implemented.

Numerical simulations of in-cylinder soot evolution in the optically accessible heavy-duty diesel engine of Sandia National Laboratories have been performed with the multidimensional conditional moment closure (CMC) model using a reduced n-heptane chemical mechanism coupled with a two-equation soot model. Simulation results are compared to the high-fidelity experimental data by means of pressure traces, apparent heat release rate (AHRR) and time-resolved in-cylinder soot mass derived from optical soot luminosity and multiple wavelength pyrometry in conjunction with high speed soot cloud imaging. In addition, spatial distributions of soot relevant quantities are given for several operating conditions.

Numerical simulations of a heavy-duty diesel engine fuelled with n-heptane have been performed with the conditional moment closure (CMC) combustion model and an embedded two-equation soot model. The influence of exhaust gas recirculation on the interaction between post- and main- injection has been investigated. Four different levels of EGR corresponding to intake ambient oxygen volume fractions of 12.6, 15, 18 and 21% have been considered for a constant intake pressure and temperature and unchanged injection configuration. Simulation results have been compared to the experimental data by means of pressure and apparent heat-release rate (AHRR) traces and in-cylinder high-speed imaging of natural soot luminosity and planar laser-induced incandescence (PLII). The simulation was found to reproduce the effect of EGR on AHRR evolutions very well, for both single- and post-injection cases.

An existing three-stage ignition delay model which has seen successful application to Primary Reference Fuels (PRFs) has been extended to six surrogate fuels which constitute potential candidates for future Homogeneous Charge Compression Ignition (HCCI) engines. The fuels include petroleum-derived and oxygenated components and can be divided into low, intermediate and high cetane number groups. A new methodology to obtain the model parameters is presented which relies jointly on simulation and experimental data: in a first step, constant volume adiabatic reactor simulations using chemical kinetic mechanisms are performed to generate ignition delays for a very wide range of conditions, namely variations in equivalence ratio, Exhaust Gas Recirculation (EGR), pressure and temperature.

Compact and computationally efficient reaction models capable of accurately predicting ignition delay and heat release rates are a prerequisite for the development of strategies to control and optimize HCCI engines. In particular for full boiling range fuels exhibiting two-stage ignition a tremendous demand exists in the engine development community. To this end, in a previous investigation, a global reaction mechanism was developed and fitted to data from shock tube experiments for n-heptane and five full boiling range fuels. By means of a genetic algorithm, for each of these fuels, a set of reaction rate parameters (consisting of pre-exponential factors, activation energies and concentration exponents) has been defined, without any change to the model form.

The heat release of the low temperature reactions (LTR or cool-flame) under Homogeneous Charge Compression Ignition (HCCI) combustion has been quantified for five candidate fuels in an optically accessible Rapid Compression Expansion Machine (RCEM). Two technical fuels (Naphthas) and three primary reference fuels (PRF), (n-heptane, PRF25 and PRF50) were examined. The Cetane Numbers (CN) of the fuels range from 35 to 56. Variation of the operating parameters has been performed, in regard to initial charge temperature of 383, 408, and 433K, exhaust gas recirculation (EGR) rate of 0%, 25%, and 50%, and equivalence ratio of 0.29, 0.38, 0.4, 0.53, 0.57, and 0.8. Pressure indication measurements, OH-chemiluminescence imaging, and passive spectroscopy were simultaneously implemented. In our previous work, an empirical, three-stage, Arrhenius-type ignition delay model, parameterized on shock tube data, was found to be applicable also in a transient, engine-relevant environment.