MIDINFRARED SPECTRA FROM NEAR-INFRARED SPECTRA USING PARTIAL LEAST-SQUARES

In this novel application of a multivariate method, partial least-squa res (PLS) was used to generate mid-infrared (MIR) spectra (rather than selected concentrations) from near-infrared (NIR) spectra. The NIR sp ectra were obtained by in-line monitoring of a molten polymer blend of polyethylene with polypropylene during extrusion. Off-line MIR spectr a of blends were used to calibrate the PLS method. Then PLS was used t o generate the MIR absorbance spectrum of a 50:50-by-weight blend not included in the calibration set from its NIR spectrum. The synthesized MIR spectrum agreed very well with a directly measured one. The excep tion was absorbance peaks which were so strong that they apparently re presented responses that were nonlinear with respect to concentration. Although more evaluation work has yet to be done, these results are e ncouraging, and they indicate that NIR interpretation may readily borr ow the strengths of MIR interpretation both qualitatively and quantita tively.