Open AccessMolecular dynamics analysis of incipient soot morphology
Author(s) -
К. Д. Гольдштейн,
Denis O. Potapov,
V A Shadymov,
Nikita Orekhov
Publication year - 2021
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/1787/1/012044
Subject(s) - soot , carbon fibers , molecular dynamics , cluster (spacecraft) , morphology (biology) , combustion , materials science , chemical engineering , chemical physics , nanotechnology , chemistry , computational chemistry , organic chemistry , computer science , biology , composite material , genetics , composite number , programming language , engineering
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.