Reaction Design Introduces Industry's First Predictive Soot Modeling Tool for Gas Turbine Design

Physics-based combustion simulation software allows transportation and energy companies to meet global emissions requirements and save millions on every design project

San Diego, Calif. – June 11, 2012 – Reaction Design®, a leading developer of combustion simulation software, introduced the industry’s first predictive soot modeling tool for gas turbine design. The tool is available as part of the company’s ENERGICO software, a physics-based modeling environment that can deliver accurate and predictive combustion simulations for gas turbines and boilers. Integrating more than a decade of combustion kinetics research, ENERGICO gives designers the first practical method to apply accurate soot formation chemistry and physics to predict Particulate Matter (PM) emissions from aircraft and power generation combustors. Engine and boiler designers can take advantage of Reaction Design’s proprietary fuels database comprising Jet A aviation fuel, bio-jet fuel, diesel and other alternative fuels.

“For years, the industry has relied on experimentation and fits-to-measurement as a means of understanding PM emissions; however, this empirical approach is costly, time-consuming and provides no insight into new designs or operating conditions,” said Ellen Meeks, vice president of product development at Reaction Design. “Companies need a more predictive soot modeling approach to meet ever-tightening global emissions requirements. We have aggregated more than a decade of combustion kinetics research plus proprietary advances into a database of chemically accurate fuel models that allow science-based soot modeling. The models capture observed dependencies of soot production and particle size. This well-validated soot model is now available with ENERGICO to provide soot prediction for gas turbine combustion.”

Powered by the extensively validated mechanisms in Reaction Design’s fuels database, ENERGICO enables predictions of soot particle size and distribution with unprecedented accuracy. ENERGICO has been proven in the laboratory to reliably predict the formation of soot for gaseous and liquid fuels and provides insight into where soot is formed during the combustion process. Reaction Design has worked with forward-thinking industry leaders to apply this sound technical approach to practical combustors, boilers and industrial processes that involve particles. ENERGICO is especially suited to modeling turbines that operate at low loads, where soot formation is more extreme.

“Reaction Design is committed to reducing pollution on a global scale by helping companies bring cleaner burning, more efficient turbines to market faster,” said Bernie Rosenthal, chief executive officer of Reaction Design. “Our combustion simulation software integrates the best science by the world’s leading chemical kineticists and expert mathematicians, enabling transportation and energy companies to reduce costs on every design project by using a physics-based modeling approach. The ability to predict soot particle sizes, track progress from formation through agglomeration, and ultimately reduce particulate emissions from gas turbine combustors helps address growing global air quality concerns.”

Reaction Design was recently named a Computerworld Honors Laureate for its visionary and pioneering work in developing software that enables the transportation and energy sectors to create more energy efficient and less polluting turbines and engines.

ENERGICO, with new predictive soot modeling capability, is available immediately worldwide. Commercial companies that are interested in product information and evaluations can connect with Reaction Design at 1-408-550-1920, or visit the website at

About Reaction Design

Reaction Design, a San Diego, California-based software supplier, enables transportation manufacturers and energy companies to rapidly achieve their clean technology goals by automating the analysis of chemical processes via computer simulation and modeling solutions.

Reaction Design is the exclusive developer and distributor of CHEMKIN, the de facto standard for modeling gas-phase and surface chemistry that provides engineers ultra-fast access to reliable answers that save time and money in the development process. Reaction Design’s FORTÉ is an advanced computational fluid dynamics (CFD) simulation package for realistic 3D modeling of fuel effects in internal combustion engines with superior time-to-solution metrics that fit in commercial development timeframes. Reaction Design’s ENERGICO software brings accurate chemistry simulation to gas turbine and boiler/furnace combustion systems by applying automated reactor network analysis. Reaction Design also offers the CHEMKIN-CFD software module, which brings detailed kinetics modeling to other engineering applications, such as CFD packages.

Reaction Design’s world-class engineers, chemists and programmers have expertise that spans multi-scale engineering from the molecule to the production plant. Reaction Design serves more than 400 customers in the commercial, government and academic markets.

Reaction Design can be found online at 

CHEMKIN®, CHEMKIN-PRO® and Reaction Design® are registered trademarks of Reaction Design. FORTÉ, ENERGICO, CHEMKIN-CFD and Model Fuels Consortium are trademarks of Reaction Design. All other trademarks are the property of their respective holders.