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Electron impact ionization and fragmentation of biofuels
The European Physical Journal D ( IF 1.8 ) Pub Date : 2020-05-05 , DOI: 10.1140/epjd/e2020-100481-9
M. Cristina A. Lopes , Wesley A. D. Pires , Kate L. Nixon , Raony A. A. Amorim , Daniel G. M. da Silva , Anne C. P. Fernandes , Santunu Ghosh , Darryl B. Jones , Laurence Campbell , Rafael F. C. Neves , Humberto V. Duque , Gustavo García , Francisco Blanco , Michael J. Brunger

Abstract

We present in this article, a review of our recent experimental and theoretical studies published in the literature on electron impact ionization and fragmentation of the primary alcohols methanol, ethanol, 1-propanol and 1-butanol (C1–C4). We discuss the mass spectra (MS) of these alcohols, measured for the electron impact energy of 70 eV and also, total (TICS) and partial (PICS) ionization cross sections in the energy range from 10 to 100 eV, which revealed the probability of forming different cations, by either direct or dissociative ionization. These experimental TICS are summarized together with theoretical values, calculated using the Binary-encounter Bethe (BEB) and the independent atom model with the screening corrected additivity rule (IAM-SCAR) methods. Additionally, we compared data of appearance energies – AE and discussed the application of the extended Wannier theory to PICS in order to produce the ionization and ionic fragmentation thresholds for the electron impact of these alcohols.

Graphical abstract



中文翻译:

电子碰撞电离和生物燃料的破碎

摘要

我们在本文中介绍了我们最近发表的有关伯醇,甲醇,乙醇,1-丙醇和1-丁醇(C 1 -C 4的电子碰撞电离和裂解的文献)的实验和理论研究。)。我们讨论了这些醇的质谱(MS),测量了70 eV的电子冲击能,以及在10至100 eV的能量范围内的总(TICS)和部分(PICS)电离截面,这揭示了这种可能性通过直接或解离电离形成不同阳离子的过程。这些实验性TICS连同理论值一起进行了总结,这些值使用Binary-encounter Bethe(BEB)和具有筛选校正加性法则(IAM-SCAR)的独立原子模型进行计算。此外,我们比较了表观能量AE的数据,并讨论了将扩展的Wannier理论应用于PICS的应用,以便为这些醇的电子碰撞产生电离和离子碎裂阈值。

图形概要

更新日期:2020-05-05
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