J. Batra et al., IN-LINE MONITORING OF TITANIUM-DIOXIDE CONTENT IN POLY(ETHYLENE-TEREPHTHALATE) EXTRUSION, Polymer engineering and science, 34(23), 1994, pp. 1767-1772
Peak absorbance changes correlated to changes in species concentration
have been the norm in applied spectroscopy, while baseline shifts hav
e been more of an inconvenience. Taking the first or second derivative
of the spectra eliminates these baseline shifts. However, with multiv
ariate techniques becoming more readily available, repeatable baseline
changes may now be monitored and correlated to specific physical chan
ges. This concept has been studied by monitoring the concentration of
titanium dioxide (TiO2), a white inorganic filler, in molten poly(ethy
lene terepthalate) (PET). Various mixtures of filled and unfilled PET
resins were run through a single-screw extruder, and near infrared spe
ctra were collected in-line by using a flow cell, housing two fiber-op
tic probes, and mounted downstream of the extruder. The presence of ti
tanium dioxide caused the scattering of light that resulted in a syste
matic baseline shift. The baseline shifts were correlated to the TiO2
concentration data. Multivariate techniques involving the use of singu
lar value decomposition (SVD) to perform partial least squares regress
ion (PLS) were applied to quantitatively determine TiO2 content in the
PET melt stream. Standard error of prediction (SEP) values of about 1
% were obtained for a model based on two factors.