Computational Chemistry Consortium: surrogate fuel mechanism development, pollutants submechanisms and components library.
The Computational Chemistry Consortium (C3) is dedicated to leading the advancement of combustion and emissions modeling in internal combustion engines. The C3 cluster combines the expertise of different groups involved in combustion research aiming to refine existing chemistry models and to develop more efficient tools for the generation of surrogate and multi-fuel mechanisms, and suitable mechanisms for CFD applications. In addition to the development of more accurate kinetic models for different components of interest in real fuels’ surrogates and for pollutants formation (NOx, PAHs, soot), the core activity of C3 is to develop a tool capable of merging high fidelity kinetics from different sources (i.e. different partners), resulting in a high-fidelity model for a specific application.