[+] Chemistry of Real Fuels

[+] Biofuel Combustion Chemistry

[+] Transport Properties of Fuel Molecules

[+] Nanoparticle Formation in Combustion Systems

[-] Coarse-Graining Simulations of Nanosystems

The main objective of this work is to study the interactions of nano-systems through the development of a coarse-graining computational methodology to describe their agglomeration. This new approach allows to bridge the length and time scales in the important area of nanocluster self-assembly.

This work is supported by the National Science Foundation.

Publications related to this project:

34. S. L. Fiedler, A. Violi “The effect of temperature on nanoparticle clustering”, CARBON 45(9): 1786-1794 (2007). [Download .PDF]

29. S. Izvekov, A. Violi “A Coarse-Grained Molecular Dynamics Study of Carbon Nanoparticle Aggregation”, J. Chem. Theory Comput. 2(3), 504-512 (2006).

26. S. Izvekov, A. Violi “Systematic Coarse-Graining of Nanoparticle Interactions in Molecular Dynamics Simulation” Journal of Physical Chemistry B 109(36): 17019-17024 (2005).

See Also:

• Publications