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High fidelity engine simulation requires realistic fuel models. Although typical automotive fuels consist of more than few hundreds of hydrocarbon species, researches show that the physical and chemical properties of the real fuels could be represented by appropriate surrogate fuel models. It is desirable to represent the fuel using the same set of physical and chemical surrogate components. However, when the reaction mechanisms for a certain physical surrogate component is not available, the chemistry of the unmatched physical component is described using that of a similar chemical surrogate component at the expense of accuracy. In order to reduce the prediction error while maintaining the computational efficiency, a method of on-the-fly reactivity adjustment (ReAd) of chemical reaction mechanism along with fuel re-distribution based on reactivity is presented and tested in this study.

A numerical investigation of a six-stroke direct injection compression ignition engine operation in a low temperature combustion (LTC) regime is presented. The fuel employed is a gasoline-like oxygenated fuel consisting of 90% isobutanol and 10% diethyl ether (DEE) by volume to match the reactivity of conventional gasoline with octane number 87. The computational simulations of the in-cylinder processes were performed using a high-fidelity multidimensional in-house 3D CFD code (MTU-MRNT) with improved spray-sub models and CHEMKIN library. The combustion chemistry was described using a two-component (isobutanol and DEE) fuel model whose oxidation pathways were given by a reaction mechanism with 177 species and 796 reactions.