Electron scattering from 1-butanol at intermediate impact energies: Total cross sections

Abstract

High-resolution infrared spectroscopy of jet cooled trans-deuteroxycarbonyl (trans-DOCO) radical

On the Electron Impact Integral Cross-Sections for Butanol and Pentanol Isomers

“…Our elastic cross-section values for butan-1-ol (Figure 1) were on the higher side for lower energies (<10 eV) as compared to the experimental data of Khakoo et al [26], their calculated results and that of Gomes et al [27]. This may be inherent to our methodology and can be attributed to the fact that we considered inelastic channels open at the first excitation energy albeit there being no distinction between the various open channels.…”

“…The experimental total cross-section (TCS) for butan-1-ol reported by Gomes et al [27] in the energy range 80-400 eV starts off higher than all theoretically calculated crosssections, including their own and falls of more rapidly approaching 400 eV. All theoretical calculations, more or less, show an identical trend in results, though differing in magnitude.…”

“…Gomes et al [27] derived a 'hybrid TCS' from the elastic integral cross-section of Khakoo et al and the calculated total ionization cross-section of Ghosh et al [31] by adding Binary-Encounter-Bethe (BEB) with an implementation of outer valence Green's function (OVGF), which is shown in (Figure 5). Given the fact that there is a difference in magnitude of the 'hybrid TCS' and experimental TCS of Gomes et al [27], it is noteworthy that our results at the lower end of intermediate energies are in good agreement with the former and at the higher end with the latter. A comparison of total cross-sections of butanol isomers (Figure 6) continues to display the trend observed in the case of our results for their elastic cross-sections.…”

Recent total cross section measurements in electron scattering from molecules

“…Because alcohols are also used as additions to fuels, their interaction with electrons in scattering processes is important for modeling alcohol combustion through a spark ignition within an engine. Figure 18 shows electron-scattering TCSs for homologous series of linear primary alcohols: methanol, ethanol, 1-propanol, and 1-butanol (C n H 2n+1 OH, n = 1-4), measured recently by Silva et al [118,119] and Gomes et al [120] at intermediate impact energies using the same apparatus; some previous experimental TCS results [121][122][123] are also included for comparison. At energies above 250 eV, TCS measurements of Silva et al for ethanol agree well with respect to the magnitude with earlier data of Sueoka et al [122], being distinctively higher at lower energies.…”

“…Based on TCS results for alcohol series (C n H 2n+1 OH, n = 1-4), Gomes et al [120] derived the formula which relates the intermediate-energy TCS of alcohol molecules to the respective electric dipole polarizability. The formula indicates the role of a spatial spread of a molecular charge cloud in the scattering process.…”