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- E-ISSN 2288-8985
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Determination of mixing ratios in a mixture via non-negative independent component analysis using XRD spectrum
Analytical Science and Technology / Analytical Science and Technology, (P)1225-0163; (E)2288-8985
2007, v.20 no.6, pp.502-507
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(2007). Determination of mixing ratios in a mixture via non-negative independent component analysis using XRD spectrum. Analytical Science and Technology, 20(6), 502-507.
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Abstract
X-ray diffraction method has been widely used for qualitative and quantitative analysis of a mixture of materials since every crystalline material gives a unique X-ray diffraction pattern independently of others, with the intensity of each pattern proportional to that material's concentration in a mixture. For determination of mixing ratios, extracting source spectra correctly is important and crucial. Based on the source spectra extracted, a regression model with non-negativity constraint is applied for determining mixing ratios. In some mixtures, however, X-ray diffraction spectrum has sharp and narrow peaks, which may result in partial negative source spectrum from independent component analysis. We propose several procedures of extracting non-negative source spectra and determining mixing ratios. The proposed method is validated with experimental data on powder mixtures.
- keywords
- X-ray diffraction, nonnegative independent component analysis, nonnegative least squares
Reference
1
C. H. Lin, (1978) Journal of Chinese Chemical Society,
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