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Technical Paper

Acceleration of Detailed Chemical Kinetics Using Multi-zone Modeling for CFD in Internal Combustion Engine Simulations

2012-04-16
2012-01-0135
Detailed chemical kinetics, although preferred due to increased accuracy, can significantly slow down CFD combustion simulations. Chemistry solutions are typically the most computationally costly step in engine simulations. The calculation time can be significantly accelerated using a multi-zone combustion model. The multi-zone model is integrated into the CONVERGE CFD code. At each time-step, the CFD cells are grouped into zones based on the cell temperature and equivalence ratio. The chemistry solver is invoked only on each zone. The zonal temperature and mass fractions are remapped onto the CFD cells, such that the temperature and composition non-uniformities are preserved. Two remapping techniques published in the literature are compared for their relative performance. The accuracy and speed-up of the multi-zone model is improved by using variable bin sizes at different temperature and equivalence ratios.
Technical Paper

Computational Chemistry Consortium: Surrogate Fuel Mechanism Development, Pollutants Sub-Mechanisms and Components Library

2019-09-09
2019-24-0020
The Computational Chemistry Consortium (C3) is dedicated to leading the advancement of combustion and emissions modeling. 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 fuel surrogates and for pollutants formation (NOx, PAH, soot), the core activity of C3 is to develop a tool capable of merging high-fidelity kinetics from different partners, resulting in a high-fidelity model for a specific application. A core mechanism forms the basis of a gasoline surrogate model containing larger components including n-heptane, iso-octane, n-dodecane, toluene and other larger hydrocarbons.
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