autoignition

Automated chemical kinetic mechanism simplification with minimal user expertise

An improved algorithm to generate skeletal mechanisms from the original detailed chemical kinetic mechanisms is proposed. The new algorithm builds on the computational singular perturbation (CSP) framework, by adding an additional layer of automation based on the tangential stretching rate (TSR) and the species’ participation index to TSR. The main advantage of the new approach is that it does not require the specification of a set of target species.

Enhancements of the G-Scheme framework

The G-Schemeis a well established framework for multi-scale adaptive modelreduction, whose effectiveness was demonstrated with reference to a number of test models,together with an identification of the critical areas that were in need of further theoreticaland computational refinement. In this communication, we report on how we enhanced thesolver performance.

© Università degli Studi di Roma "La Sapienza" - Piazzale Aldo Moro 5, 00185 Roma