Polar curved polycyclic aromatic hydrocarbons in soot formation

• المؤلفون الرئيسيون: Menon, Angiras, Martin, Jacob W., Bowal, Kimberly, Slavchov, Radomir I., Akroyd, Jethro, Mosbach, Sebastian, Kraft, Markus
• مؤلفون آخرون: School of Chemical and Biomedical Engineering
• التنسيق: مقال
• اللغة: English
• منشور في: 2019
• الموضوعات: Curved Polycyclic Aromatic Hydrocarbons; Flexoelectric Dipole; Engineering::Chemical engineering
• الوصول للمادة أونلاين: https://hdl.handle.net/10356/107580; http://hdl.handle.net/10220/50333
• المؤسسة: 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...