Molecular dynamics analysis of incipient soot morphology

Abstract

Abstract Understanding mechanism of the soot formation process is important for reduction of harmful emissions from combustion and also for synthesis of carbon nanostructures. However, at the moment, both the mechanisms of carbon cluster formation and its morphology are poorly understood. In this paper, we present the results of molecular dynamics simulation of the formation and growth of carbon clusters formed at high temperatures from polyaromatic hydrocarbons.