Provider: ingentaconnect
Database: ingentaconnect
Content: application/x-research-info-systems
TY - ABST
AU - Mark, Howard
AU - Rubinovitz, Ronald
AU - Heaps, David
AU - Gemperline, Paul
AU - Dahm, Donald
AU - Dahm, Kevin
TI - Comparison of the Use of Volume Fractions with Other Measures of Concentration for Quantitative Spectroscopic Calibration Using the Classical Least Squares Method
JO - Applied Spectroscopy
PY - 2010-09-01T00:00:00///
VL - 64
IS - 9
SP - 995
EP - 1006
KW - CALIBRATION
KW - VOLUME EFFECTS
KW - CLASSICAL LEAST SQUARES
KW - UNITS
KW - CLS
KW - MULTIVARIATE CALIBRATION
KW - NEAR-INFRARED SPECTROSCOPY
KW - VOLUME FRACTIONS
N2 - Since the commercial development of modern near-infrared spectroscopy in the 1970s, analysts have almost invariably used units of weight percent as the measure of analyte concentration, due largely to the historical precedent from other analytical methods, including other spectroscopic
techniques. The application of the CLS algorithm to a set of binary and ternary liquid mixtures reveals that the spectroscopic measurement sees the sample differently; that the measured absorbance spectrum is in fact sensitive to the volume fraction of the various components of the mixture.
Because there is not a one-to-one relationship between volume fraction and other measures of analyte concentration, nor is the relationship linear, this has important implications for the application of both the CLS algorithm and the various other, more conventional, calibration algorithms
that are commonly used.
UR - http://www.ingentaconnect.com/content/sas/sas/2010/00000064/00000009/art00011
M3 - doi:10.1366/000370210792434314
UR - http://dx.doi.org/10.1366/000370210792434314
ER -