Validation of model of multivariate calibration: an application to the determination of biodiesel blend levels in diesel by near-infrared spectroscopy
The practical implementation of multivariate calibration models has been limited in several areas because of the requirement of appropriate development and validation to prove their performance to standardization agencies. This paper describes the development and validation of a multivariate calibration model on the basis of partial least squares and net analyte signal, which can be directly applied to determine biodiesel concentrations between 2-90% in biodiesel/diesel blends analyzed by near-infrared spectroscopy. The model was validated with regard to accuracy, limit of detection, limit of quantification, sensitivity, and selectivity by calculation of the corresponding figures of merit. This work demonstrated that the proposed method is valid to determine biodiesel in diesel, simple, rapid, sensitive, and economic. Copyright (C) 2012 John Wiley & Sons, Ltd.
validation multivariate calibration biodiesel figure of merit nir