1 - 25 of 2
| Title | Date | Subject | Description | ||
|---|---|---|---|---|---|
| 1 |
 |
A fully integrated Kinetic Monte Carlo/Molecular Dynamics approach for the simulation of soot precursor growth | 2002 | Polycyclic aromatic hydrocarbon polymerization; Soot; KMC/MD; Kinetic Monte Carlo/Molecular Dynamics; Particle growth; Atomic-scale structure; Molecular Transformations; KMC; MD; Simulation; Kinetic mechanism | The emphasis in this paper is on presenting a new methodology, together with some illustrative applications, for the study of polycyclic aromatic hydrocarbon polymerization leading to soot, widely recognized as a very important and challenging combustion problem. The new code, named fully integrated... |
| 2 |
 |
An experimental study on the thermal decomposition of catechol | 2002 | Thermal Decomposition; Catechol; Polycyclic aromatic hydrocarbons; PAH; Pyrolysis; ortho-dihydroxybenzene; Phenol decomposition; biomass; coal; wood; Kinetic model; Pyrolytic catechol decomposition; PAH formation and growth | In order to better elucidate the role of thermal decomposition products in the formation of polycyclic aromatic hydrocarbons (PAH) from complex fuels, we have performed pyrolysis experiments in a tubularflow reactor, using the model fuel catechol (ortho-dihydroxybenzene), a phenol-type compound repr... |
1 - 25 of 2