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To accurately predict emissions as well as combustion phasing in a homogeneous charge compression ignition (HCCI) engine, detailed chemistry needs to be used in Computational Fluid Dynamics (CFD) modeling. In this work, CFD simulations of an Oak Ridge National Laboratory (ORNL) gasoline HCCI engine have been performed with full coupling to detailed chemistry. Engine experiments using an E30 gasoline surrogate blend were performed at ORNL, which included measurements of several trace species in the exhaust gas. CFD modeling using a detailed mechanism for the same fuel composition used in the experiments was also performed. Comparisons between data and model are made over a range of intake temperatures. The (experiment & model) surrogate blend consists of 33 wt % ethanol, 8.7 % n-heptane and 58.3 % iso-octane. The data and simulations involve timing sweeps using intake temperature to control combustion phasing at a constant fuel rate.

A single cylinder engine was operated in HCCI mode with diesel-range fuels, spanning a range in cetane number (CN) from 34 to 62. In addition to measurements of standard gaseous emissions (CO, HC, and NOx), multiple sampling and analysis techniques were used to identify and measure the individual exhaust HC species including an array of oxygenated compounds. A new analytical method, using liquid chromatography (LC) with electrospray ionization-mass spectrometry (ESI-MS) in tandem with ultraviolet (UV) detection, was developed to analyze the longer chain aldehydes as well as carboxylic acids. Results showed an abundance of formic and butyric acid formation at or near the same concentration levels as formaldehyde and other aldehydes.