Modeling Complex Chemical Systems

Many processes and scenarios consist of complex systems of interacting gas phase kinetic reactions, and the successful control of these situations depends on an ability to model this behavior reliably. A properly developed and validated mechanism and model can furnish a variety of practical advantages, including selection of optimum conditions, avoidance of hazardous or undesired outcomes, the ability to efficiently evaluate modifications computationally, and insight into the controlling kinetics, and straightforward guidance for choosing the best sensor measurements and locations for monitoring or controlling the process. SRI International offers the rare combined expertise to provide a fundamentally sound basic kinetics mechanism for any such process, and to improve and optimize the model of the system by using modern computational principles to analyze experimental measurements.

Our varied and general experience in modeling many gas phase systems ensures our ability to develop mechanisms and models for virtually any process with a significant gas phase kinetics component. Previous efforts have examined subjects such as atmospheric ozone and smog photochemistry, natural gas and coal combustion, NO formation and treatment, chlorination, hydrocracking, catalytic combustion, spacecraft reentry kinetics and ablation, diamond CVD synthesis, silane CVD and plasma deposition, discharge laser kinetics, and fuel additive effects. Our tools and experience in kinetics, modeling, and optimization are ready and tested to address other areas as well.

Learn more about our Process Modeling and Kinetics

Visit the Laboratory - Molecular Physics Laboratory

Technical Contact:
Gregory P. Smith
(650) 859-3496
gregory.smith@sri.com