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Multi-zone CFD simulations with detailed kinetics were used to model iso-octane HCCI experiments performed on a single-cylinder research engine. The modeling goals were to validate the method (multi-zone combustion modeling) and the reaction mechanism (LLNL 857 species iso-octane) by comparing model results to detailed exhaust speciation data, which was obtained with gas chromatography. The model is compared to experiments run at 1200 RPM and 1.35 bar boost pressure over an equivalence ratio range from 0.08 to 0.28. Fuel was introduced far upstream to ensure fuel and air homogeneity prior to entering the 13.8:1 compression ratio, shallow-bowl combustion chamber of this 4-stroke engine. The CFD grid incorporated a very detailed representation of the crevices, including the top-land ring crevice and head-gasket crevice. The ring crevice is resolved all the way into the ring pocket volume. The detailed grid was required to capture regions where emission species are formed and retained.

Predictive models of soot formation during Diesel combustion are of great practical interest, particularly in light of newly proposed strict regulations on particulate emissions. A modified version of the phenomenological model of soot formation developed previously has been implemented in KIVA-II CFD code. The model includes major generic processes involved in soot formation during combustion, i.e., formation of soot precursors, formation of surface growth species, soot particle nucleation, coagulation, surface growth and oxidation. The formulation of the model within the KIVA-II is fully coupled with the mass and energy balances in the system. The model performance has been tested by comparison with the results of optical in-cylinder soot measurements in a single cylinder Cummins NH Diesel engine. The predicted soot volume fraction, number density and particle size agree reasonably well with the experimental data.

An engine cycle simulation code with detailed chemical kinetics has been developed to study Homogeneous Charge Compression Ignition (HCCI) combustion with hydrogen as the fuel. In order to attain adequate combustion duration, resulting from the self-accelerating nature of the chemical reaction, fuel and temperature inhomogeneities have been brought to the calculation by considering the combustion chamber to have various temperature and fuel distributions. Calculations have been done under various conditions including both perfectly homogeneous and inhomogeneous cases, changing the degree of inhomogeneity. The results show that intake gas temperature is more dominant on ignition timing of HCCI than equivalence ratio and that there is a possibility to control HCCI by introducing appropriate temperature inhomogeneity to in-cylinder mixture.

A single cylinder, Cummins NH, direct-injection, diesel engine has been operated in order to evaluate the effects of aromatic content and aromatic structure on diesel engine particulates. Results from three fuels are shown. The first fuel, a low sulfur Chevron diesel fuel was used as a base fuel for comparison. The other fuels consisted of the base fuel and 10% by volume of 1-2-3-4 tetrahydronaphthalene (tetralin) a single-ring aromatic and naphthalene, a double-ring aromatic. The fuels were chosen to vary aromatic content and structure while minimizing differences in boiling points and cetane number. Measurements included exhaust particulates using a mini-dilution tunnel, exhaust emissions including THC, CO2, NO/NOx, O2, injection timing, two-color radiation, soluble organic fraction, and cylinder pressure. Particulate measurements were found to be sensitive to temperature and flow conditions in the mini-dilution tunnel and exhaust system.

This research focused on the effects of split injection on combustion in a diesel environment. It was done in a specially designed engine-fed combustion chamber (swirl ratio of 5) with full field optical access through a quartz window. The simulated engine combustion chamber used a special backwards spraying injector (105°). The electronically controlled injector could control the size and position of it's, two injections. Both injections were through the same nozzle and it produced very rapid injections (1.5 ms) with a maximum injection pressure of 130 MPa. Experimental data included: rate of injection, injector pressure, combustion chamber dumping (NO & NOx concentrations), flame temperature, KL factor (soot concentration) combustion pressure, and rate of pressure rise. Injection rates indicate that the UCORS injection system creates very rapid injections with the ability to produce controllable split injections.

This research focused on the effects of split injection on fuel spray behavior in a diesel environment. It was done in a special designed engine-fed combustion chamber (swirl ratio of 5) with full field optical access through a quartz window. The simulated engine combustion chamber used a special backwards spraying injector (105°). The electronically controlled injector could control the size and position of it's two injections. Both injections were through the same nozzle and it produced very rapid injections (1.5 ms) with a maximum injection pressure of 130 MPa. Experimental data included: rate of injection, injector pressure, spray plume images, tip penetration, liquid and vapor fuel distributions, combustion pressure, and rate of pressure rise. From 105° forward scatter images, tip penetration was observed to be very rapid and reached a plateau at 25 mm.

Oxygen enhancement in a direct injection (DI) diesel engine was studied to investigate the potential for particulate matter and NOx emissions control. The local oxygen concentration within the fuel plume was modified by oxygen enrichment of the intake air and by oxygenating the base fuel with 20% methyl t-butyl ether (MTBE). The study collected overall engine performance and engine-out emissions data as well as in-cylinder two-color measurements at 25% and 75% loads over a range of injection timings. The study found oxygen enhancement, whether it be from intake air enrichment or via oxygenated fuels, reduces particulate matter, the effectiveness depending on the local concentration of oxygen in the fuel plume. Since NOx emissions depend strongly on the temperature and oxygen concentration throughout the bulk cylinder gas, the global thermal and dilution effects from oxygen enrichment were greater than that from operation on oxygenated fuel.