Computational
Chemistry
Consortium
Chemistry
Consortium
Overview
The Computational Chemistry Consortium (C3) draws on the expertise of industry, academic, and government partners to advance combustion and emissions modeling. Starting from basic principles and fundamental research, C3 is developing and validating the most comprehensive chemical mechanism to date, including components for both conventional and alternative fuels.
C3 publicly released the first version of its detailed chemical mechanism, C3Mech, in 2022. The mechanism, which contains chemistry for nearly 60 fuels, continues to be refined, and updated versions are released periodically. You can download C3Mech for free here.
Computational fluid dynamics simulation of a lean direct-injection gas turbine combustor
Impact
C3 is committed to supporting global combustion research through public access to innovative chemistry modeling tools. As we work to create more sustainable solutions in the transportation and energy sectors, it’s more important than ever to have accurate methods for predicting the combustion and emissions of different fuels under relevant operating conditions. With an open mechanism format, C3 promotes the investigation and development of alternative fuels and low-carbon combustion systems.
From the Experts
When C3MechV3.3 was published, it became the first of its kind to validate one complete mechanism including ignition delay times, flamespeeds, and species concentration profiles for many different fuels, starting with hydrogen and going all the way up to large hydrocarbon species. This mechanism is enabling the combustion community to more easily and more accurately model chemistry in critical industrial applications.
- Prof. Henry Curran, C3 Technical Director
When C3MechV3.3 was published, it became the first of its kind to validate one complete mechanism including ignition delay times, flamespeeds, and species concentration profiles for many different fuels, starting with hydrogen and going all the way up to large hydrocarbon species. This mechanism is enabling the combustion community to more easily and more accurately model chemistry in critical industrial applications.
- Prof. Henry Curran, C3 Technical Director
C3Mech is a versatile model that can serve as a fundamental tool for companies and CFD researchers. Developed through a hierarchical approach and rigorously validated across the widest range of operating conditions, C3Mech demonstrates robustness and reliability for a large palette of fuels. It has all the features to become indispensable for numerous engineering applications, supporting technicians and developers throughout the research, design, and development phases.
- Prof. Tiziano Faravelli, Politecnico di Milano
C3Mech is a versatile model that can serve as a fundamental tool for companies and CFD researchers. Developed through a hierarchical approach and rigorously validated across the widest range of operating conditions, C3Mech demonstrates robustness and reliability for a large palette of fuels. It has all the features to become indispensable for numerous engineering applications, supporting technicians and developers throughout the research, design, and development phases.
- Prof. Tiziano Faravelli, Politecnico di Milano
Rapid advancements in kinetic model development and numerous newly published experimental and theoretical results provide opportunities, but make it more challenging than ever to provide extensively validated chemical kinetic models. C3 enables participating researchers to collect and condense several of these advancements into a single model, thereby contributing to the organization and accessibility of scientific results.
- Prof. Heinz Pitsch, RWTH Aachen University
Rapid advancements in kinetic model development and numerous newly published experimental and theoretical results provide opportunities, but make it more challenging than ever to provide extensively validated chemical kinetic models. C3 enables participating researchers to collect and condense several of these advancements into a single model, thereby contributing to the organization and accessibility of scientific results.
- Prof. Heinz Pitsch, RWTH Aachen University
Contact Us
We want to hear from you!
Email [email protected] to get in touch with the C3 research team.