Mass Spectrometry-Based Approach to Compute Electron-Impact Partial Ionization Cross-Sections of Methane, Water and Nitromethane from Threshold to 5 keV
The electron impact partial ionization cross-sections of molecules such as methane, water and nitromethane are computed using a modified form of the binary encounter Bethe (BEB) formula. The modified form of the BEB model works on rescaling the molecular binding energies of the orbitals and the scal...
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2022-07-01
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| author | Meetu Luthra Kanupriya Goswami Ajay Kumar Arora Anand Bharadvaja Kasturi Lal Baluja |
| author_facet | Meetu Luthra Kanupriya Goswami Ajay Kumar Arora Anand Bharadvaja Kasturi Lal Baluja |
| author_sort | Meetu Luthra |
| collection | DOAJ |
| description | The electron impact partial ionization cross-sections of molecules such as methane, water and nitromethane are computed using a modified form of the binary encounter Bethe (BEB) formula. The modified form of the BEB model works on rescaling the molecular binding energies of the orbitals and the scaling of cross-sections using the electron ionization mass spectrometry data. The computed partial ionization cross-sections are consistent with the recommended data and are better than several experimental and theoretical results. The summed partial ionization cross-sections of different fragments also agree with the total ionization cross-sections obtained from BEB and the experimental data. This work highlights the utility of mass spectrometry in the modeling and interpretation of the ionization cross-section data. The limitations and the advantages of the modified form of the BEB model are also discussed. |
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| format | Article |
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| issn | 2218-2004 |
| language | English |
| last_indexed | 2024-03-10T00:45:06Z |
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| spelling | doaj.art-69ced66add274014899f8e1c8ef5133c2023-11-23T15:01:16ZengMDPI AGAtoms2218-20042022-07-011037410.3390/atoms10030074Mass Spectrometry-Based Approach to Compute Electron-Impact Partial Ionization Cross-Sections of Methane, Water and Nitromethane from Threshold to 5 keVMeetu Luthra0Kanupriya Goswami1Ajay Kumar Arora2Anand Bharadvaja3Kasturi Lal Baluja4Department of Physics, Bhaskaracharya College of Applied Sciences, University of Delhi, New Delhi 110075, IndiaDepartment of Physics, Keshav Mahavidyalaya, University of Delhi, Delhi 110034, IndiaDepartment of Physics, Keshav Mahavidyalaya, University of Delhi, Delhi 110034, IndiaDepartment of Physics, Bhaskaracharya College of Applied Sciences, University of Delhi, New Delhi 110075, IndiaFormerly at Department of Physics and Astrophysics, University of Delhi, Delhi 110007, IndiaThe electron impact partial ionization cross-sections of molecules such as methane, water and nitromethane are computed using a modified form of the binary encounter Bethe (BEB) formula. The modified form of the BEB model works on rescaling the molecular binding energies of the orbitals and the scaling of cross-sections using the electron ionization mass spectrometry data. The computed partial ionization cross-sections are consistent with the recommended data and are better than several experimental and theoretical results. The summed partial ionization cross-sections of different fragments also agree with the total ionization cross-sections obtained from BEB and the experimental data. This work highlights the utility of mass spectrometry in the modeling and interpretation of the ionization cross-section data. The limitations and the advantages of the modified form of the BEB model are also discussed.https://www.mdpi.com/2218-2004/10/3/74electron collisionionization cross-sectionsBEB modelmass spectrometryappearance energysemi-empirical methods |
| spellingShingle | Meetu Luthra Kanupriya Goswami Ajay Kumar Arora Anand Bharadvaja Kasturi Lal Baluja Mass Spectrometry-Based Approach to Compute Electron-Impact Partial Ionization Cross-Sections of Methane, Water and Nitromethane from Threshold to 5 keV Atoms electron collision ionization cross-sections BEB model mass spectrometry appearance energy semi-empirical methods |
| title | Mass Spectrometry-Based Approach to Compute Electron-Impact Partial Ionization Cross-Sections of Methane, Water and Nitromethane from Threshold to 5 keV |
| title_full | Mass Spectrometry-Based Approach to Compute Electron-Impact Partial Ionization Cross-Sections of Methane, Water and Nitromethane from Threshold to 5 keV |
| title_fullStr | Mass Spectrometry-Based Approach to Compute Electron-Impact Partial Ionization Cross-Sections of Methane, Water and Nitromethane from Threshold to 5 keV |
| title_full_unstemmed | Mass Spectrometry-Based Approach to Compute Electron-Impact Partial Ionization Cross-Sections of Methane, Water and Nitromethane from Threshold to 5 keV |
| title_short | Mass Spectrometry-Based Approach to Compute Electron-Impact Partial Ionization Cross-Sections of Methane, Water and Nitromethane from Threshold to 5 keV |
| title_sort | mass spectrometry based approach to compute electron impact partial ionization cross sections of methane water and nitromethane from threshold to 5 kev |
| topic | electron collision ionization cross-sections BEB model mass spectrometry appearance energy semi-empirical methods |
| url | https://www.mdpi.com/2218-2004/10/3/74 |
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