Результаты исследований: Научные публикации в периодических изданиях › статья
Improving precision of X-ray fluorescence analysis of lanthanide mixtures using partial least squares regression. / Kirsanov, D.; Panchuk, V.; Goydenko, A.; Khaydukova, M.; Semenov, V.; Legin, A.
в: Spectrochimica Acta, Part B: Atomic Spectroscopy, Том 113, 2015, стр. 126-131.Результаты исследований: Научные публикации в периодических изданиях › статья
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TY - JOUR
T1 - Improving precision of X-ray fluorescence analysis of lanthanide mixtures using partial least squares regression
AU - Kirsanov, D.
AU - Panchuk, V.
AU - Goydenko, A.
AU - Khaydukova, M.
AU - Semenov, V.
AU - Legin, A.
PY - 2015
Y1 - 2015
N2 - This study addresses the problem of simultaneous quantitative analysis of six lanthanides (Ce, Pr, Nd, Sm, Eu, Gd) in mixed solutions by two different X-ray fluorescence techniques: energy-dispersive (EDX) and total reflection (TXRF). Concentration of each lanthanide was varied in the range 10−6 –10−3 mol/L, low values being around the detection limit of the method. This resulted in XRF spectra with very poor signal to noise ratio and overlapping bands in case of EDX, while only the latter problem was observed for TXRF. It was shown that ordinary least squares approach in numerical calibration fails to provide for reasonable precision in quantification of individual lanthanides. Partial least squares (PLS) regression was able to circumvent spectral inferiorities and yielded adequate calibration models for both techniques with RMSEP (root mean squared error of prediction) values around 10−5 mol/L. It was demonstrated that comparatively simple and inexpensive EDX method is capable of ensuring the similar precis
AB - This study addresses the problem of simultaneous quantitative analysis of six lanthanides (Ce, Pr, Nd, Sm, Eu, Gd) in mixed solutions by two different X-ray fluorescence techniques: energy-dispersive (EDX) and total reflection (TXRF). Concentration of each lanthanide was varied in the range 10−6 –10−3 mol/L, low values being around the detection limit of the method. This resulted in XRF spectra with very poor signal to noise ratio and overlapping bands in case of EDX, while only the latter problem was observed for TXRF. It was shown that ordinary least squares approach in numerical calibration fails to provide for reasonable precision in quantification of individual lanthanides. Partial least squares (PLS) regression was able to circumvent spectral inferiorities and yielded adequate calibration models for both techniques with RMSEP (root mean squared error of prediction) values around 10−5 mol/L. It was demonstrated that comparatively simple and inexpensive EDX method is capable of ensuring the similar precis
KW - EDX
KW - TXRF
KW - Lanthanides
KW - Rare earth metals
KW - PLS regression
U2 - 10.1016/j.sab.2015.09.013
DO - 10.1016/j.sab.2015.09.013
M3 - Article
VL - 113
SP - 126
EP - 131
JO - SPECTROCHIMICA ACTA PART B-ATOMIC SPECTROSCOPY
JF - SPECTROCHIMICA ACTA PART B-ATOMIC SPECTROSCOPY
SN - 0584-8547
ER -
ID: 3975496