In the Computational Chemistry group you can read about your colleagues’ projects and contact them through the forums. Below are our featured computational chemistry projects on HPC as a service; perhaps you will find some that are in your area of interest. If not you can see a list of all of our projects or create your own using the buttons at the bottom of this page.

Team 36: Advanced Combustion Modeling for Diesel Engines

diesel-engines

Modeling combustion in Diesel engines with CFD is challenging. The physical phenomena occurring in the short combustion cycle are not fully understood. This especially applies to the liquid spray injection, the auto-ignition and flame development and formation of undesired emissions like NOx, CO and soot.

A model designed to address these types of challenging cases where combustion initiating chemistry plays a large role has been implemented in ANSYS Fluent and was validated.

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Team Members

Ferry-TapFerry Tap
Wim-SlagterWim Slagter
mystery-manMatt Jacobs

other members

Team 52: High-Resolution Computer Simulations of Blow-off in Combustion Systems

combustion

The undesired blow-off of turbulent flames in combustion devices can be a very serious safety hazard. Hence, it is of interest to study how flames blow off. Simulations offer an attractive way to do this, however, due to the multi-scale nature of turbulent flames, and the fact that the simulations are unsteady, these simulations require significant computer resources.

In this project, a canonical test problem of a turbulent premixed flame is simulated with OpenFOAM.

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Team Members

Ferry-TapFerry Tap
mystery-manEsteban Gonzales
Marc-LevrierMarc Levrier

other members

 

Coming Soon More Computational Chemistry Team Projects:

Team 85: Combustion simulations of power plant equipment
Team 95: OpenFOAM in the Cloud for turbulent combustion modeling

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