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Real transportation fuels, such as gasoline and diesel, are mixtures of thousands of different hydrocarbons. For multidimensional engine applications, numerical simulations of combustion of real fuels with all of the hydrocarbon species included exceeds present computational capabilities. Consequently, surrogate fuel models are normally utilized. A good surrogate fuel model should approximate the essential physical and chemical properties of the real fuel. In this work, we present a novel methodology for the formulation of surrogate fuel models based on local optimization and sensitivity analysis technologies. Within the proposed approach, several important fuel properties are considered. Under the physical properties, we focus on volatility, density, lower heating value (LHV), and viscosity, while the chemical properties relate to the chemical composition, hydrogen to carbon (H/C) ratio, and ignition behavior. An error tolerance is assigned to each property for convergence checking.

The application of Computational Fluid Dynamics (CFD) for three-dimensional (3D) combustion analysis coupled with detailed chemistry in engine development is hindered by its expensive computational cost. Chemistry computation may occupy as much as 90% of the total computational cost. In the present paper, a new two-step iso-octane combustion model was developed for spark-ignited (SI) engine to maximize computational efficiency while maintaining acceptable accuracy. Starting from the model constants of an existing global combustion model, the new model was developed using an approach based on sensitivity analysis to approximate the results of a reference skeletal mechanism. The present model involves only five species and two reactions and utilizes only one uniform set of model constants. The validation of the new model was performed using shock tube and real SI engine cases.

Flame speed data reported in most literature are acquired in conventional apparatus such as the spherical combustion bomb and counterflow burner, and are limited to atmospheric pressure and ambient or slightly elevated unburnt temperatures. As such, these data bear little relevance to internal combustion engines and gas turbines, which operate under typical pressures of 10-50 bar and unburnt temperature up to 900K or higher. These elevated temperatures and pressures not only modify dominant flame chemistry, but more importantly, they inevitably facilitate pre-ignition reactions and hence can change the upstream thermodynamic and chemical conditions of a regular hot flame leading to modified flame properties. This study focuses on how auto-ignition chemistry affects flame propagation, especially in the negative-temperature coefficient (NTC) regime, where dimethyl ether (DME), n-heptane and iso-octane are chosen for study as typical fuels exhibiting low temperature chemistry (LTC).