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TitleDateSubjectDescription
1 A fully integrated Kinetic Monte Carlo/Molecular Dynamics approach for the simulation of soot precursor growth2002Polycyclic aromatic hydrocarbon polymerization; Soot; KMC/MD; Kinetic Monte Carlo/Molecular Dynamics; Particle growth; Atomic-scale structure; Molecular Transformations; KMC; MD; Simulation; Kinetic mechanismThe 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 Reduction of nitric oxide on the char surface at pulverized combustion conditions2002reduction of nitric oxide; nitric oxide; pulverized combustion; char formation; char surfaceThis study presents an experimental evaluation of the rate of nitric oxide reduction on the char surface. It addresses the claim that the rate for the destruction of nitric oxide on the char surface has been underpredicted due to char deactivation in the process of char formation. Experiments conduc...
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