Abstract
The basic principle of Doolittle multivariate calibration algorithm (DMCA) was investigated and used for simultaneous quantitative determination of sodium tripolyphosphate (STPP), sodium sulfate (SS), and sodium carbonate (SC) in commercial washing powders with serious overlapping. The process of the Doolittle decomposition algorithm (DDA) is implemented by lower and upper (LU) triangular matrix decomposition which is robust and convenient. Then it was applied to overcome the problem of overlapping spectra of different components in the detergent washing powder. The root mean square error of prediction (RMSEP) for DMCA is 0.084 which confirms the improvement in accuracy, in comparison with K-Matrix (KM) (RMSEP=0.118). It was demonstrated that DDA can avoid matrix inverting, reduce the orders of matrices, and needs a little time for analysis. Therefore, it has bright prospects in chemometrics and it is feasible that the Doolittle algorithm could be applied to the practical determinations in real samples with spectral overlapping.
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