Theoretical prediction of S Kβ fine structures in PIXE-induced XRF spectra

M. Uda, Tomoyuki Yamamoto, T. Tatebayashi

    Research output: Contribution to journalArticle

    9 Citations (Scopus)

    Abstract

    Sulfur is one of the most important elements found in air pollutants. A PIXE-induced XRF system equipped with a crystal spectrometer is a candidate to analyze chemical states of S in the pollutants. To aid in the design of the spectrometer for this purpose, fundamental data have been collected by calculating S Kβ spectra by use of the discrete variational Xα (DV-Xα) method for molecular orbital calculations. The calculated spectra have very faithfully reproduced XRF spectra observed for mixtures of Na2SO4, Na2SO3 and ZnS using a Ge (1 1 1) flat crystal spectrometer, which were used as representative chemical species including SO4 2- and SO3 2-, and as an example of sulfides in the air pollutants.

    Original languageEnglish
    Pages (from-to)55-59
    Number of pages5
    JournalNuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms
    Volume150
    Issue number1-4
    DOIs
    Publication statusPublished - 1999 Apr 2

    Fingerprint

    contaminants
    Spectrometers
    Air Pollutants
    fine structure
    spectrometers
    predictions
    Orbital calculations
    Crystals
    air
    Sulfides
    Molecular orbitals
    Air
    Sulfur
    Chemical elements
    crystals
    sulfides
    molecular orbitals
    sulfur

    ASJC Scopus subject areas

    • Surfaces, Coatings and Films
    • Instrumentation
    • Surfaces and Interfaces

    Cite this

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    abstract = "Sulfur is one of the most important elements found in air pollutants. A PIXE-induced XRF system equipped with a crystal spectrometer is a candidate to analyze chemical states of S in the pollutants. To aid in the design of the spectrometer for this purpose, fundamental data have been collected by calculating S Kβ spectra by use of the discrete variational Xα (DV-Xα) method for molecular orbital calculations. The calculated spectra have very faithfully reproduced XRF spectra observed for mixtures of Na2SO4, Na2SO3 and ZnS using a Ge (1 1 1) flat crystal spectrometer, which were used as representative chemical species including SO4 2- and SO3 2-, and as an example of sulfides in the air pollutants.",
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    AU - Uda, M.

    AU - Yamamoto, Tomoyuki

    AU - Tatebayashi, T.

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    AB - Sulfur is one of the most important elements found in air pollutants. A PIXE-induced XRF system equipped with a crystal spectrometer is a candidate to analyze chemical states of S in the pollutants. To aid in the design of the spectrometer for this purpose, fundamental data have been collected by calculating S Kβ spectra by use of the discrete variational Xα (DV-Xα) method for molecular orbital calculations. The calculated spectra have very faithfully reproduced XRF spectra observed for mixtures of Na2SO4, Na2SO3 and ZnS using a Ge (1 1 1) flat crystal spectrometer, which were used as representative chemical species including SO4 2- and SO3 2-, and as an example of sulfides in the air pollutants.

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