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This project is one component of a broader effort whose ultimate goal is to provide CFD-based tools that can be used to optimize the design of urea SCR NOx aftertreatment systems for heavy-duty diesel engines. Here the focus is on predicting the distributions of key chemical species (ammonia, in particular) at the inlet to the catalysts. Two aspects of the physical models have been emphasized: the multi-phase models, and the gas-phase chemistry models. A hierarchy of four simplified geometric configurations has been used for model development and parametric studies, and to establish the appropriate level of physical modeling and numerical fidelity required. The resulting physical and numerical parameters then have been used to model a production SCR system. Initial quantitative comparisons with experimental measurements are encouraging.

The molecular filtration of sulfur components in ultra low sulfur diesel (ULSD) fuel is described. A comprehensive screening of potential sulfur removal chemistries has yielded a sorbent which has the capability to efficiently remove organo-sulfur components in ULSD fuel. This sorbent has been used to treat ULSD fuel on a heavy duty engine equipped with NOx adsorber after-treatment technology and has been shown to lengthen the time between desulfation steps for the NOx adsorber. The fuel properties, cetane number and aromatics content, etc., have not been changed by the removal of the sulfur in the fuel with the exception of the lubricity which is reduced.