Numerical Algorithms for the Parametric Continuation of Stiff ODEs deriving from the Modeling of Combustion with Detailed Chemical Mechanisms

The use of detailed chemical mechanisms is becoming increasingly necessary during the actual transition of the energy production from fossil to renewable fuels. Indeed, the modern renewable fuels are characterized by a composition more complex than traditional fossil fuels due to the variability of the properties of the primary source, i.e. biomass. Parametric continuation can be a formidable tool to study the behavior of these new fuels allowing to promptly assess equilibrium conditions varying the main operative parameters. However, parametric continuation is a very computationally demanding procedure, both for the num- ber of elementary operations needed and for the memory requirements. Actually, only very recently some approaches that allow to aord this computation with chemical mechanisms composed of hundreds of chemical species and thousands of reaction have been proposed [1, 2, 3]. Starting from the procedure illustrated in [2], this paper illustrates further improvements of key steps that usually represents a bottleneck for the effective computation of parametric continuations and for the identication of bifurcation points. References [1] Shan R., Lu T. (2014) A Bifurcation Analysis for Limit Flame Phenomena of DME/Air in Perfectly Stirred Reactors. Combustion and Flame, Vol. 161, pp. 171623. [2] Acampora L., Marra F.S. (2015) Numerical strategies for the bifurcation analysis of perfectly stirred reactors with detailed combustion mechanisms. Computers & Chemical Engineering, Vol. 85, pp. 273-282. [3] Acampora L., Marra F.S. , Numerical Strategies for Detection of Bifurcation Points in the Parametric Continuation of Model Reactors with Detailed Chemical Mech- anisms, ICCMSE 2017, The Met Hotel, Thessaloniki, Greece, 2125 April 2017