Mechanical properties of soot particles : the impact of crosslinked polycyclic aromatic hydrocarbons

Mechanical properties of soot particles : the impact of crosslinked polycyclic aromatic hydrocarbons

In this paper, we estimate the degree of crosslinking within soot particles making use of reactive molecular dynamics simulations of mechanical properties of crosslinked polycyclic aromatic hydrocarbons (PAH). Representative systems of PAH (pyrene, coronene, ovalene and circumpyrene) with a density...

Full description

Bibliographic Details
Main Authors: Pascazio, Laura, Martin, Jacob W., Botero, Maria L., Sirignano, Mariano, D’Anna, Andrea, Kraft, Markus
Other Authors: School of Chemical and Biomedical Engineering
Format: Journal Article
Language:English
Published: 2021
Subjects:
Engineering::Chemical engineering
Molecular Dynamics
Reactive Force Field
Online Access:https://hdl.handle.net/10356/152214

Internet

https://hdl.handle.net/10356/152214

Similar Items