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Detailed Transport and Performance Optimization for Massively Parallel Simulations of Turbulent Combustion with OpenFOAM

Zirwes, Thorsten ORCID iD icon 1; Zhang, Feichi 2; Denev, Jordan A. 1; Habisreuther, Peter ORCID iD icon 3; Bockhorn, Henning 3; Trimis, Dimosthenis 3
1 Scientific Computing Center (SCC), Karlsruher Institut für Technologie (KIT)
2 Institut für Technische Chemie (ITC), Karlsruher Institut für Technologie (KIT)
3 Engler-Bunte-Institut (EBI), Karlsruher Institut für Technologie (KIT)


This work describes the implementation of two key features for enabling high performance computing (HPC) of highly resolved turbulent combustion simulations: detailed molecular transport for chemical species and efficient computation of chemical reaction rates. The transport model is based on an implementation of the thermo-chemical library Cantera [1] and is necessary to resolve the inner structure of flames. The chemical reaction rates are computed from automatically generated chemistry-model classes [2], which contain highly optimized code for a specific reaction mechanism. In combination with Sundials’ [3] ODE solver, this leads to drastic reductions in computing time. The new features are validated and applied to a turbulent flame with inhomogeneous mixing conditions on a grid with 150 million cells. The simulation is performed on Germany’s fastest supercomputer “Hazel Hen” [4] on 28,800 CPU cores, showing very good scalability. The good agreement with experimental data shows that the proposed implementations combined with the capabilities of OpenFOAM are able to accurately and efficiently simulate even challenging flame setups.

Postprint §
DOI: 10.5445/IR/1000085462
Veröffentlicht am 15.08.2022
Cover der Publikation
Zugehörige Institution(en) am KIT Engler-Bunte-Institut (EBI)
Institut für Technische Chemie (ITC)
Scientific Computing Center (SCC)
Publikationstyp Proceedingsbeitrag
Publikationsjahr 2018
Sprache Englisch
Identifikator KITopen-ID: 1000085462
HGF-Programm 46.11.01 (POF III, LK 01) Computational Science and Mathematical Methods
Erschienen in The 13th OpenFOAM Workshop (OFW13), Shanghai, China, June 24-29, 2018. Ed.: J. Wang
Veranstaltung 13th The OpenFOAM Workshop (OFW 2018), Shanghai, China, 24.06.2018 – 29.06.2018
Verlag CMHL
Seiten 142-145
Externe Relationen Konferenz
Schlagwörter Detailed Transport, Performance Optimization, Parallel Scaling, Validation, Turbulent Combustion, HPC
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