College of Science and Engineering, James Cook University, Townsville, QLD 4811, Australia.
Research School of Physics, Australian National University, Canberra, ACT 0200, Australia.
J Chem Phys. 2021 Feb 28;154(8):084306. doi: 10.1063/5.0043759.
We review experimental and theoretical cross sections for electron transport in α-tetrahydrofurfuryl alcohol (THFA) and, in doing so, propose a plausible complete set. To assess the accuracy and self-consistency of our proposed set, we use the pulsed-Townsend technique to measure drift velocities, longitudinal diffusion coefficients, and effective Townsend first ionization coefficients for electron swarms in admixtures of THFA in argon, across a range of density-reduced electric fields from 1 to 450 Td. These measurements are then compared to simulated values derived from our proposed set using a multi-term solution of Boltzmann's equation. We observe discrepancies between the simulation and experiment, which we attempt to address by employing a neural network model that is trained to solve the inverse swarm problem of unfolding the cross sections underpinning our experimental swarm measurements. What results from our neural network-based analysis is a refined set of electron-THFA cross sections, which we confirm is of higher consistency with our swarm measurements than that which we initially proposed. We also use our database to calculate electron transport coefficients in pure THFA across a range of reduced electric fields from 0.001 to 10 000 Td.
我们回顾了 α-四氢糠醇（THFA）中电子输运的实验和理论截面，并在此基础上提出了一套合理的完整截面。为了评估我们提出的截面集的准确性和自洽性，我们使用脉冲 Townsend 技术测量了在氩气中 THFA 混合物中电子团的漂移速度、纵向扩散系数和有效 Townsend 第一电离系数，电子团的密度降低电场范围从 1 到 450 Td。然后，我们将这些测量结果与使用 Boltzmann 方程的多项解从我们提出的截面集中模拟得到的模拟值进行比较。我们观察到模拟与实验之间存在差异，我们试图通过使用神经网络模型来解决这个问题，该模型经过训练可以解决展开我们实验团测量所依据的截面的逆团问题。我们的神经网络分析的结果是一套经过改进的电子-THFA 截面集，与我们最初提出的截面集相比，它与我们的团测量结果更加一致。我们还使用我们的数据库计算了在从 0.001 到 10000 Td 的各种降低电场下纯 THFA 中的电子输运系数。
