Comparison of detailed reaction mechanisms for an alternative Jet Fuel surrogate by Parametric Continuation

A comparison of selected detailed reaction mechanisms was performed in order to point out capabilities, limitations and mutual differences in modelling the combustion with air of an alternative Jet Fuel surrogate (Shell GTL) in a Perfectly Stirred Reactor. Three different reaction mechanisms, having increasing number of species and reactions, have been adopted. Specifically, the mechanisms proposed by: the CRECK Group mechanism (Frassoldati et al. 2010, Ranzi et al. 2012); Naik et al. (2011); and by Malewicki et al. (2013). The comparison was performed by studying the equilibrium curve. A specifically developed parametric continuation tool was used in order to manage the large chemical mechanisms adopted to model the surrogate combustion. The results allow the identification of the differences among the three mechanisms. Generally, the proposed analysis approach can represent an useful tool for the study and validation of detailed reaction mechanisms.