- Author
-
Totton, T. S.
|
Chakrabarti, D.
|
Misquitta, A. J.
|
Sander, M.
|
Wales, D. J.
|
Kraft, M.
- Title
- Modeling the Internal Structure of Nascent Soot Particles.
- Coporate
- Cambridge Univ., New Museums Site, Pembroke Street, Cambridge CB2 3RA, UK
Cambridge Univ., Lensfield Road, Cambridge CB2 1EW, UK
Cambridge Univ., JJ Thomson Avenue, Cambridge CB3 0HE, UK
- Journal
-
Combustion and Flame,
Vol. 157,
No. 5,
909-914,
May 2010
- Keywords
-
soot
|
structures
|
polycyclic aromatic hydrocarbons
|
density effects
|
soot particles
|
pyrene
|
algorithms
- Identifiers
- Transmission Electron Microscopy (TEM); parameters for the Lennard-Jones potential; clusters assembled from polycyclic aromatic hydrocarbon (PAH) molecules; stochastic 'basin-hopping' global optimisation scheme; molecular clusters; particle density; clusters of 50 coronene and 50 pyrene molecules