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• Content

This web site presents a set of downloadable simplified chemical mechanisms for a range of hydrocarbon fuels, with associated thermodynamic data. All information is presented in ASCII, employing Chemkin-compatible formatting. The mechanisms have been simplified employing results of Computational Singular Perturbation (CSP) analysis of reacting flow databases computed with detailed chemical mechanisms, over ranges of operating conditions. Each simplified mechanism is a skeletal chemical model employing elementary reversible reaction steps, being a subset of the original detailed model.

• Purpose

The goal of this activity is to facilitate sharing and use of a variety of simplified chemical models with given degrees of fidelity. This provides means of evaluating these models over a broad range of conditions, by multiple users.

• Reduction Methodology

The simplification methodology employs a database of state vectors computed using the detailed mechanism. It requires a user-provided set of target species of interest, and tolerances on CSP importance indices. Looping over the database, reactions with importance indices above threshold, with respect to included species, are retained, along with the species they involve. This is done iteratively until the set of included species remains unchanged. The algorithm is described in detail in ...