Duque H V, Do T P T, Lopes M C A, Konovalov D A, White R D, Brunger M J, Jones D B
School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001, Australia.
School of Education, Can Tho University, Campus II, 3/2 Street, Xuan Khanh, Ninh Kieu, Can Tho City, Vietnam.
J Chem Phys. 2015 Mar 28;142(12):124307. doi: 10.1063/1.4915889.
In this paper, we report newly derived integral cross sections (ICSs) for electron impact vibrational excitation of tetrahydrofuran (THF) at intermediate impact energies. These cross sections extend the currently available data from 20 to 50 eV. Further, they indicate that the previously recommended THF ICS set [Garland et al., Phys. Rev. A 88, 062712 (2013)] underestimated the strength of the electron-impact vibrational excitation processes. Thus, that recommended vibrational cross section set is revised to address those deficiencies. Electron swarm transport properties were calculated with the amended vibrational cross section set, to quantify the role of electron-driven vibrational excitation in describing the macroscopic swarm phenomena. Here, significant differences of up to 17% in the transport coefficients were observed between the calculations performed using the original and revised cross section sets for vibrational excitation.
在本文中，我们报告了新推导的四氢呋喃（THF）在中等碰撞能量下电子碰撞振动激发的积分截面（ICSs）。这些截面将目前可用的数据范围从20 eV扩展到了50 eV。此外，它们表明先前推荐的THF ICS集[Garland等人，《物理评论A》88, 062712 (2013)]低估了电子碰撞振动激发过程的强度。因此，对该推荐的振动截面集进行了修订以弥补这些不足。使用修正后的振动截面集计算了电子群输运性质，以量化电子驱动的振动激发在描述宏观群现象中的作用。在此，使用原始和修订后的振动激发截面集进行的计算之间，观察到输运系数存在高达17%的显著差异。
