Electron scattering cross sections for pyridine in the energy range 0–100 eV, which we previously measured or calculated, have been critically compiled and complemented here with new measurements of electron energy loss spectra and double differential ionization cross sections. Experimental techniques employed in this study include a linear transmission apparatus and a reaction microscope system. To fulfill the transport model requirements, theoretical data have been recalculated within our independent atom model with screening corrected additivity rule and interference effects (IAM-SCAR) method for energies above 10 eV. In addition, results from the R-matrix and Schwinger multichannel with pseudopotential methods, for energies below 15 eV and 20 eV, respectively, are presented here. The reliability of this complete data set has been evaluated by comparing the simulated energy distribution of electrons transmitted through pyridine, with that observed in an electron-gas transmission experiment under magnetic confinement conditions. In addition, our representation of the angular distribution of the inelastically scattered electrons is discussed on the basis of the present double differential cross section experimental results.

A self-consistent data set, with all the necessary inputs for Monte Carlo simulations of electron transport through gaseous tetrahydrofuran (THF) in the energy range 1–100 eV, has been critically compiled in this study. Accurate measurements of total electron scattering cross sections (TCSs) from THF have been obtained, and considered as reference values to validate the self-consistency of the proposed data set. Monte Carlo simulations of the magnetically confined electron transport through a gas cell containing THF for different beam energies (3, 10 and 70 eV) and pressures (2.5 and 5.0 mTorr) have also been performed by using a novel code developed in Madrid. In order to probe the accuracy of the proposed data set, the simulated results have been compared with the corresponding experimental data, the latter obtained with the same experimental configuration where the TCSs have been measured. Graphic Abstract

The accuracy of the most recent recommended cross sections dataset for electron scattering from gaseous H2O (J. Phys. Chem. Ref. Data 2021, 50, 023103) is probed in a joint experimental and computational study. Simulations of the magnetically confined electron transport through a gas cell containing H2O for different beam energies (3, 10 and 70 eV) and pressures (2.5 to 20.0 mTorr) have been performed by using a specifically designed Monte Carlo code. The simulated results have been compared with the corresponding experimental data as well as with simulations performed with Geant4DNA. The comparison made between the experiment and simulation provides insight into possible improvement of the recommended dataset.