[+] Chemistry of Real Fuels

[+] Biofuel Combustion Chemistry

[+] Transport Properties of Fuel Molecules

[-] Nanoparticle Formation in Combustion Systems

In the combustion environment, nanoparticle formation is a fascinating multiscale problem, both in length scale and in time scale. When the nanoparticles are able to reach a critical size, they begin to aggregate and the molecular science of the nanoparticles bridges with the statistical mechanics of nonequilibrium self-assembly and nucleation over two disparate length and time scales in a truly fascinating way.
The goal of this research is to develop a multiscale computational approach to characterize nanoparticle formation in combustion environments, through the use of novel simulation methodologies at disparate (spatial/temporal) regimes.
This approach provides a connection between the various time scales in the nanoparticle growth and self-assembly problem, together with an unprecedented opportunity for the understanding of the atomistic interactions underlying nanoparticle structures and growth (AMPI code- “Atomistic Model for Particle Inception” ).¹

¹ A. Violi Combustion and Flame 139: 279 (2004).

This work is supported by the National Science Foundation.

Publications related to this project:

35. S. H. Chung, A. Violi “Insights on the Nanoparticle Formation Process in Counterflow Diffusion Flames”, CARBON 45(12): 2400-2410 (2007). [Download .PDF]

20. A. Violi “Modeling of Soot Particle Inception in Aromatic and Aliphatic Premixed Flames” Combustion and Flame 139: 279-287 (2004).

[+] Coarse-Graining Simulations of Nanosystems

See Also:

• Publications