Dynamic polarity of curved aromatic soot precursors

• المؤلفون الرئيسيون: Martin, Jacob W., Menon, Angiras, Lao, Chung Ting, Akroyd, Jethro, Kraft, Markus
• مؤلفون آخرون: School of Chemical and Biomedical Engineering
• التنسيق: مقال
• اللغة: English
• منشور في: 2020
• الموضوعات: Engineering::Chemical engineering; Soot Formation; Ion-induced Nucleation
• الوصول للمادة أونلاين: https://hdl.handle.net/10356/144488
• المؤسسة: Nanyang Technological University

In this paper, we answer the question of whether polar curved aromatics are persistently polar at flame temperatures. We find, using electronic structure calculations and transition state theory, that the inversion barriers of curved aromatics (cPAH) 0.9–1.2 nm in diameter are high and that they are...