Polar curved polycyclic aromatic hydrocarbons in soot formation

• Main Authors: Menon, Angiras, Martin, Jacob W., Bowal, Kimberly, Slavchov, Radomir I., Akroyd, Jethro, Mosbach, Sebastian, Kraft, Markus
• Other Authors: School of Chemical and Biomedical Engineering
• Format: Article
• Language: English
• Published: 2019
• Subjects: Curved Polycyclic Aromatic Hydrocarbons; Flexoelectric Dipole; Engineering::Chemical engineering
• Online Access: https://hdl.handle.net/10356/107580; http://hdl.handle.net/10220/50333
• Institution: Nanyang Technological University

In this paper, we consider the impact of polar curved polycyclic aromatic hydrocarbons (cPAH) on the process of soot formation by employing electronic structure calculations to determine the earliest onset of curvature integration and the binding energy of curved homodimers. The earliest (smallest s...