Extraction of Chemical Information of Suspensions Using Radiative Transfer Theory To Remove Multiple Scattering Effects: Application to a Model Multicomponent System

摘要

The effectiveness of a scatter correction approachnbased on decoupling absorption and scattering effects throughnthe use of the radiative transfer theory to invert a suitable set ofnmeasurements is studied by considering a model multicomponentnsuspension. The method was used in conjunction withnpartial least-squares regression to build calibration models fornestimating the concentration of two types of analytes: annabsorbing (nonscattering) species and a particulaten(absorbing and scattering) species. The performances of thenmodels built by this approach were compared with thosenobtained by applying empirical scatter correction approachesnto diffuse reflectance, diffuse transmittance, and collimatedntransmittance measurements. It was found that the methodnprovided appreciable improvement in model performance fornthe prediction of both types of analytes. The study indicates that, as long as the bulk absorption spectra are accurately extracted, nonfurther empirical preprocessing to remove light scattering effects is required.