A detailed reaction mechanism is a fundamental part of an accurate chemically reacting flow model. For generic combustion analysis, multi-purpose detailed mechanisms are available and can be downloaded from the sources listed on our data links page. However, for novel combustion systems with advanced engine conditions, exacting engineers seek the best mechanism for their simulations.
The best mechanism is the one that provides a good balance between accuracy and simulation run-time (i.e., mechanism size). Progressive engine designers are getting substantial improvements in combustion simulation accuracy by applying modern mechanism understanding along with reductions custom tailored to specific operating conditions. Reaction Design is helping these engineers to first create and then reduce modern fuel-surrogate mechanisms for their specific conditions and simulation goals. These reduced mechanisms are used in CHEMKIN-PRO, ENERGICO, FORTÉ and other CFD simulations.
Reaction Design scientists have worked on mechanism development and reduction projects for a wide range of industrial customers. Our engineers and chemists have over 150 combined years of kinetic mechanism development and use. Our software development and service projects require our team to be aware of all the latest advances in mechanism development and how to interpret the quality of experimental data for validation. No other organization in the world provides such breadth and depth of detailed chemistry know-how.
Imagine the value you could bring to your organization if you put this experience to work on your application. You can take advantage of this kinetics experience through a mechanism-development project that immediately raises the quality of your simulations and provides added value to your organization.
A good example of a mechanism reduction project helps illustrate how Reaction Design can improve the overall simulation value through advanced mechanisms. A major manufacturer of aviation gas turbines recently engaged Reaction Design to assemble and reduce liquid Jet-A fuel mechanisms specifically for use in CFD analyses. The manufacturer’s understanding is that modern, custom reduced mechanisms will provide an improvement over the generic mechanisms provided by the CFD vendor or those that are available in academia. Reaction Design’s experts used our proprietary mechanism database and reduction software to create a surrogate master and reduced mechanisms that substantially improved the predictions of flame speed, ignition delay and NOx emissions. Perhaps of greater value to the organization, the project helped demonstrate the impacts of mechanism size on simulation accuracy, providing invaluable kinetic insight into what can and cannot be expected from reduced mechanisms for their engines.
Mechanism development from scratch is exceedingly expensive, even for experts. Further, mechanism reduction by hand or through academia can be slow, or miss alternatives because only one reduction technique is applied. However, using the wrong mechanism is even more expensive in loss of simulation quality or speed.
So call us and we’ll talk you through the options that are available for your fuels and applications. We’ll be happy to take the time to understand what you would like to accomplish and define a successful project to improve your simulation value.
Learn how Reaction Design can enhance the effectiveness of your combustion chemistry simulation.
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