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 SO42- and SO32-, and as an example of sulfides in the air pollutants.
|ジャーナル||Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms|
|出版ステータス||Published - 1999 4 2|
|イベント||Proceedings of the 1998 8th International Conference on PIXE and its Analytical Applications - Lund, Swed|
継続期間: 1998 6 14 → 1998 6 18
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