Electron-driven processes for furan, tetrahydrofuran and 2, 5-dimethylfuran

A complete data set for the simulation of electron transport through gaseous tetrahydrofuran in the energy range 1–100 $$\hbox {eV}$$

“…For this reason, electron interactions with this benchmark molecule have been widely studied both in experiments and calculations at different levels of theory. As far as crosssection data are concerned, there are available results of total cross sections (TCSs) [8][9][10][11][12][13][14][15], integral elastic cross sections (ICSs) [16][17][18][19][20][21][22][23][24][25][26][27]49], integral vibrational [23][24][25][26][28][29][30] and electronic-state [31][32][33][34][35] excitation cross sections, total ionization cross sections [14,[36][37][38][39][40][41] and integral dissociative electron attachment (DEA) [42][43][44] cross sections. In addition, for most of the processes, differential cross sections (DCSs) [15,26,29,…”

Assessment of the self-consistency of electron-THF cross sections using electron swarm techniques: Mixtures of THF–Ar and THF–N2

“…IV B 3. This cross section is compared with the cross section of I and Garland et al 1 (elastic only), and the measurements and calculations of Fuss et al 24 with and without rotations, Swadia et al, 25,26 Colyer et al, 80 Gauf et al, 81 Baek et al, 82 Dampc et al, 83 Bug et al, 20 and Zhang et al 84 measured under any experimental conditions that can be simulated. Using the cross section set developed in I, we have calculated the transport coefficients of interest in mixtures of THF with argon and N 2 .…”

“…For swarm and plasma modeling of charged particle transport in simple targets like THF, a complete and accurate description of the microscopic electron-molecule interactions is required in the form of scattering cross sections. 23 For THF, four full sets of scattering cross sections have been compiled over different energy regimes; see the work of Fuss et al 24 for incident electron energies 1 eV-10 keV, Bug et al 20 for 30 eV-1 keV electrons, Swadia et al 25,26 for electrons from the ionization threshold to 5 keV, and Garland et al 1 from 0.1 eV to 300 eV. Calculations of swarm transport coefficients using the set of Garland et al were detailed in that study and in mixtures with H 2 O in the work of White et al, 27 while the first experimental measurements of swarm transport coefficients in pure THF were presented in the work of Casey et al 2 The experimental measurements of the drift velocity and effective Townsend ionization coefficient in the work of Casey et al allowed for a rigorous assessment of the cross section set of Garland et al In that study, the swarm inversion technique was employed to iteratively adjust cross sections for some of the individual scattering channels, in particular, those that are difficult to measure via standard crossedbeam methods or to calculate with state of the art scattering theory.…”

An improved set of electron-THFA cross sections refined through a neural network-based analysis of swarm data

“…One component that has received considerable attention is 2-deoxyribose, a sugar that links phosphate groups in the DNA backbone, which has well-studied surrogates including tetrahydrofuran (THF, C 4 H 8 O) and α-tetrahydrofurfuryl alcohol (THFA, C 5 H 10 O 2 ) [9]. Between these, THF has received the most attention, with a number of proposed complete electron impact cross section sets present in the literature [10][11][12][13][14][15][16][17]. In comparison, however, while individual electron-THFA cross sections are known, a complete set is presently still lacking.…”