Atomistic Model for Particle Inception (AMPI)
This technology is simulation software that predicts the formation of carbon nanoparticles during combustion process, in a chemically specific way. The code is a combination of methodologies that describe the soot formation process by accurately modeling the reactions taking place at different timescales. Particle morphology and concentration of free radicals in the soot precursors can be computed using this technology.
Carbon nanoparticles, produced in the combustion process as precursors to soot formation, are very dangerous pollutants in terms of health effects and global warming consequences. Hence, it is imperative to study the formation of these particles and investigate its physical and chemical properties. The simulation code technology enables such an investigation. It has applications in any industry that utilizes combustion for energy sources or waste disposal, including automotive and power companies.
Stage of Development
A provisional patent has been filed with the U.S. Patent and Trademark Office. This technology has been demonstrated to work in proof-of-concept experiments. It is available for developmental research support/licensing under either exclusive or non-exclusive terms.
*A. Violi, A. F. Sarofim, and G. A. Voth, "Kinetic Monte Carlo- Molecular Dynamics Approach to Model Soot Inception" Combus. Sci. and Tech., 176, 991-1105, 2004.
Gregory Voth, Angela Violi
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