Electron impact total ionization cross-sections for methane, ethane and propane

Duric, Nada; Čadeź, I.; Kurepa, M. V.

doi:10.1016/0168-1176(91)87010-x

Cited by 63 publications

(64 citation statements)

References 16 publications

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“…2). Again, the data of Nishimura are systematically higher (up to 25%) than those determined by Durić et al [21], especially in the intermediate energy range between 50 eV and 1 keV. This deviation exceeds the reported experimental uncertainties, which were between 10% and 15% for all experimental data.…”

Section: Methodscontrasting

confidence: 46%

“…Figure 2 shows a selection of ionization cross sections for both molecules. In the case of methane, the BEB model in combination with the molecular orbital data of the NIST database [18,20] reproduces the measured data of Durić et al [21] and Schram et al [22] within the experimental uncertainties. The cross sections measured by Nishimura et al [23], on the other hand, are systematically larger (up to 20% in the energy range between 100 eV and 2 keV) than those predicted by the TABLE I. Electron-impact-ionization cross section data of methane and propane and model functions for an interpolation of cross sections.…”

Section: B Electrons In Propane and Methanementioning

confidence: 53%

“…Durić et al [21] C H 4 , C 3 H 8 12-240 Grill et al [24] C H 4 15-950 Nishimura et al [23] C H 4 , C 3 H 8 15-3000 Schram et al [22] C H 4 , C 3 H 8 600-12 000 Theoretical De Souza et al [25] C H 4 2-500 Vinodkumar et al [26] C H 4 15-2000 Models BEB model [19] (see Appendix A) Chouki model [27] (see Appendix B) Table I). Error bars are only shown for selected data points to improve readability.…”

Section: Methodsmentioning

confidence: 99%

“…Such electrons will travel through the medium with a well-defined probability of ionization, depending on their energy. In summary, the charge-transfer processes considered for simulating the transport of low-energy alpha particles are: the single and double electron-capture cross sections for He 2+ (σ 21 and σ 20 ); the single electron-capture and electron-loss processes for He + (σ 10 and σ 12 ); and the single and double electron-loss cross sections for He 0 (σ 01 and σ 02 ). An incident (monoenergetic) helium beam reaches a state of charge equilibrium after a few interactions.…”

Section: Ptra Track Structure Simulationsmentioning

confidence: 99%

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Ionization cross section data of nitrogen, methane, and propane for light ions and electrons and their suitability for use in track structure simulations

et al. 2013

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Rabus, H. (2013). Ionization cross section data of nitrogen, methane, and propane for light ions and electrons and their suitability for use in track structure simulations. Physical Review E: Statistical, Nonlinear, and Soft Matter Physics, 88 (4), 043308-1-043308-21.Ionization cross section data of nitrogen, methane, and propane for light ions and electrons and their suitability for use in track structure simulations AbstractTrack structure Monte Carlo simulations are frequently applied in micro-and nanodosimetry to calculate the radiation transport in detail. The use of a well-validated set of cross section data in such simulation codes ensures accurate calculations of transport parameters, such as ionization yields. These cross section data are, however, scarce and often discrepant when measured by different groups. This work surveys literature data on ionization and charge-transfer cross sections of nitrogen, methane, and propane for electrons, protons, and helium particles, focusing on the energy range between 100 keV and 20 MeV. Based on the evaluated data, different models for the parametrization of the cross section data are implemented in the code PTRA, developed for simulating proton and alpha particle transport in an ion-counting nanodosimeter. The suitability of the cross section data is investigated by comparing the calculated mean ionization cluster size and energy loss with experimental results in either nitrogen or propane. For protons, generally good agreement between measured and simulated data is found when the Rudd model is used in PTRA. For alpha particles, however, a considerable influence of different parametrizations of cross sections for ionization and charge transfer is observed. The PTRA code using the charge-transfer data is, nevertheless, successfully benchmarked by the experimental data for the calculation of nanodosimetric quantities, but remaining discrepancies still have to be further investigated (up to 13% lower energy loss and 19% lower mean ionization cluster size than in the experiment). A continuation of this work should investigate data for the energy loss per interaction as well as differential cross section data of nitrogen and propane. Interpolation models for ionization and chargetransfer data are proposed. The Barkas model, frequently used for a determination of the effective charge in the ionization cross section, significantly underestimates both the energy loss (by up to 19%) and the mean ionization cluster size (up to 65%) for alpha particles. It is, therefore, not recommended for particle-track simulations. Track structure Monte Carlo simulations are frequently applied in micro-and nanodosimetry to calculate the radiation transport in detail. The use of a well-validated set of cross section data in such simulation codes ensures accurate calculations of transport parameters, such as ionization yields. These cross section data are, however, scarce and often discrepant when measured by different groups. This work surveys literature data on ionization and charge-tra...

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Section: Methodscontrasting

confidence: 46%

Section: B Electrons In Propane and Methanementioning

confidence: 53%

Section: Methodsmentioning

confidence: 99%

Section: Ptra Track Structure Simulationsmentioning

confidence: 99%

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Ionization cross section data of nitrogen, methane, and propane for light ions and electrons and their suitability for use in track structure simulations

et al. 2013

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“…In Fig. 4, we compare available experimental data [14][15][16][17] with the BEB cross sections using the adiabatic and vertical IPs. It is clear that the agreement between theory and experiment between the threshold and TϽ100 eV is significantly improved by using the vertical IP.…”

Section: Methane (Ch 4 )mentioning

confidence: 99%

Electron-impact ionization cross sections of atmospheric molecules

Kim

Hwang

Weinberger

et al. 1997

The Journal of Chemical Physics

242

133

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A theoretical model for electron-impact total ionization cross sections, which has been found to be reliable for a wide range of molecules, is applied to molecules of interest to atmospheric science. The new theory, the binary-encounter-Bethe (BEB) model, combines the binaryencounter theory and the Bethe theory for electron-impact ionization, and uses simple theoretical data for the ground state of the target molecule, which are readily available from molecular structure codes. Total ionization cross sections of 11 molecules, CS, CS 2 , COS, CH 4 , H 2 S, NH 3 , NO 2 , N 2 O, O 3 , S 2 , and SO 2 , are presented for incident electron energies from threshold to 1 keV with an average accuracy of 15% or better at the cross section peak. We also found that the use of vertical ionization potentials (IPs) rather than adiabatic IPs for the lowest IPs significantly improves BEB cross sections between the threshold and cross section peak for molecules whose adiabatic and vertical IPs are different by ~1 eV or more (CH 4 and NH 3 ). The BEB cross sections are presented in a compact analytic form with a small number of constants, making the cross sections suitable for modeling applications. ©1997 American Institute of Physics. History:Received 20 August 1996; accepted 11 October 1996 A theoretical model for electron-impact total ionization cross sections, which has been found to be reliable for a wide range of molecules, is applied to molecules of interest to atmospheric science. The new theory, the binary-encounter-Bethe ͑BEB͒ model, combines the binary-encounter theory and the Bethe theory for electron-impact ionization, and uses simple theoretical data for the ground state of the target molecule, which are readily available from molecular structure codes. Total ionization cross sections of 11 molecules, CS, CS 2 , COS, CH 4 , H 2 S, NH 3 , NO 2 , N 2 O, O 3 , S 2 , and SO 2 , are presented for incident electron energies from threshold to 1 keV with an average accuracy of 15% or better at the cross section peak. We also found that the use of vertical ionization potentials ͑IPs͒ rather than adiabatic IPs for the lowest IPs significantly improves BEB cross sections between the threshold and cross section peak for molecules whose adiabatic and vertical IPs are different by ϳ1 eV or more ͑CH 4 and NH 3 ). The BEB cross sections are presented in a compact analytic form with a small number of constants, making the cross sections suitable for modeling applications.

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Electron ionization time‐of‐flight mass spectrometry: Historical review and current applications

Mirsaleh-Kohan

Robertson

Compton

2008

Mass Spectrometry Reviews

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This review presents an overview of electron ionization time-of-flight mass spectroscopy (EITOFMS), beginning with its early development to the employment of modern high-resolution electron ionization sources. The EITOFMS is demonstrated to be ideally suited for analytical and basic chemical physics studies. Studies of the formation of positive ions by electron ionization time-of-flight mass spectroscopy have been responsible for many of the known ionization potentials of molecules and radicals, as well as accepted bond dissociation energies for ions and neutral molecules. The application of TOFMS has been particularly important in the area of negative ion physics and chemistry. A wide variety of negative ion properties have been discovered and studied by using these methods including: autodetachment lifetimes, metastable dissociation, Rydberg electron transfer reactions and field detachment, SF(6) Scavenger method for detecting temporary negative ion states, and many others.

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Electron impact total ionization cross-sections for methane, ethane and propane

Cited by 63 publications

References 16 publications

Ionization cross section data of nitrogen, methane, and propane for light ions and electrons and their suitability for use in track structure simulations

Ionization cross section data of nitrogen, methane, and propane for light ions and electrons and their suitability for use in track structure simulations

Electron-impact ionization cross sections of atmospheric molecules

Electron ionization time‐of‐flight mass spectrometry: Historical review and current applications

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