[-] Chemistry of Real Fuels

The goal of this project is to identify new reaction pathways for real fuels to produce a complete description of the system of interest in terms of intermediates, products, kinetics, thermochemical and transport properties. This is accomplished through the use of a combination of Molecular Dynamics and ab initio techniques.

This work is supported by the Air Force Office of Scientific Research, AFOSR.

Publications related to this project:

27. D. Wang, A. Violi, D.H. Kim, J.A. Mullholland “Formation of Naphthalene, Indene and Benzene from Cyclopentadiene Pyrolysis: A DFT Study” Journal of Physical Chemistry A, 110(14), 4719-4725 (2006).

24. A. Violi “Cyclodehydrogenation Reactions to Cyclopentafused Polycyclic Aromatic Hydrocarbons” Journal of Physical Chemistry A 109(34): 7781-7787 (2005).

[+] Biofuel Combustion Chemistry

[+] Transport Properties of Fuel Molecules

[+] Nanoparticle Formation in Combustion Systems

[+] Coarse-Graining Simulations of Nanosystems

See Also:

• Publications