Near Infrared Spectroscopy and Chemometrics Analysis of Linear Low-Density Polyethylene

Shimoyama, Masahiko; Ninomiya, Toshio; Sano, K.; Ozaki, Yukihiro; Higashiyama, Hisamitsu; Watari, Masahiro; Tomo, Masahiro

doi:10.1255/jnirs.152

Cited by 37 publications

(43 citation statements)

References 28 publications

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“…The assignments are based on the comparison of the spectra of PP with those of polyethylene (PE) with various branches. 28 The band assignments will be discussed later.…”

Section: Band Assignments Of the Nir Spectra Of The Pp Copolymersmentioning

confidence: 99%

Discrimination of various poly(propylene) copolymers and prediction of their ethylene content by near‐infrared and Raman spectroscopy in combination with chemometric methods

Furukawa

Watari

Siesler

et al. 2002

J of Applied Polymer Sci

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Near-infrared (NIR) diffuse reflectance (DR) spectra and Fourier-transform (FT) Raman spectra were measured for 12 kinds of block and random poly(propylene) (PP) copolymers with different ethylene content in pellets and powder states to propose calibration models that predict the ethylene content in PP and to deepen the understanding of the NIR and Raman spectra of PP. Band assignments were proposed based calculation of the second derivatives of the original spectra, analysis of loadings and regression coefficient plots of principal component analysis (PCA) and principal component regression (PCR) (predicting the ethylene content) models, and comparison of the NIR and Raman spectra of PP with those of linear low-density polyethylene (LLDPE) with short branches. PCR and partial least squares (PLS) regression were applied to the second derivatives of the NIR spectra and the NIR spectra after multiplicative scatter correction (MSC) to develop the calibration models. After MSC treatment, the original spectra yield slightly better results for the standard error of prediction (SEP) than the second derivatives. A plot of regression coefficients for the PCR model shows peaks due to the CH 2 groups pointing upwards and those arising from the CH 3 groups pointing downwards, clearly separating the bands due to CH 3 and CH 2 groups. For the Raman data, MSC and normalization were applied to the original spectra, and then PCR and PLS regression were carried out to build the models. The PLS regression for the normalized spectra yields the best results for the correlation coefficient and the SEP. Raman bands at 1438, 1296, and 1164 cm Ϫ1 play key roles in the prediction of the ethylene content in PP. The NIR chemometric evaluation of the data gave better results than those derived from the Raman spectra and chemometric analysis. Possible reasons for this observation are discussed.

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“…The assignments are based on the comparison of the spectra of PP with those of polyethylene (PE) with various branches. 28 The band assignments will be discussed later.…”

Section: Band Assignments Of the Nir Spectra Of The Pp Copolymersmentioning

confidence: 99%

Discrimination of various poly(propylene) copolymers and prediction of their ethylene content by near‐infrared and Raman spectroscopy in combination with chemometric methods

Furukawa

Watari

Siesler

et al. 2002

J of Applied Polymer Sci

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“…The topics were focused on quantification of certain compounds in the polymer, such as the water or residual C=C bounds (Shimoyama et al, 1998).…”

Section: Current Studies About Nirs-polymers and Gasoline Compounds Nmentioning

confidence: 99%

“…The measurement time is fast, so fast rectification if there are production errors is possible. NIR may allow measurements of density (Shimoyama et al, 1998), and detection of changes in composition, hydrogen bonding, orientation of polymer, moisture, melt flow index or viscosity, cristallinity, degree of cure, and mechanism of reaction among others, important parameters in polymer production that may be monitored in the extrusion process Lachenal, 1998). The increased NIRS use in polymer production may be limited by economics and working environment .…”

Section: Current Studies About Nirs-polymers and Gasoline Compounds Nmentioning

confidence: 99%

Permeation Studies of PVC Pipes with near Infrared Spectroscopy

Agelet

Hurburgh

Mao

et al. 2007

Journal of Near Infrared Spectroscopy

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Polyvinyl chloride (PVC) pipes are commonly used to transport drinking water. Although PVC is resistant to natural environmental conditions, organic solvents may attack the pipe wall causing swelling, softening, water lines failure and drinking water pollution. Leaks from underground storage tanks and random accidental spills of organic solvents or fuels place the pipes in contact with organic solvents. Near infrared (NIR) spectroscopy was used to track the permeation of PVC pipes by three major organic solvents (toluene, benzene and gasoline) at different concentrations. Partial least squares (PLS) calibrations with NIR spectra and reference data gave accurate models with R2 > 0.9, relative performance determinant ( RPD) > 3 and low standard errors of prediction ( SEP). These models could predict the permeation status measured by mm of solvent moving front, weight gain, or days under permeation. A second study correlated pipe permeation susceptibility to pure toluene in mm h−1/2 to the pipe spectra. Spectra differences from several pipe brands and sizes were modelled with locally weighted regression (LWR), resulting in models with accuracy ( RPD) of around 5. NIR was a suitable tool to evaluate the permeation of PVC pipes and to predict the susceptibility of PVC pipes to permeation.

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“…A list of known band assignments in these regions can be found for example in reference. [11] The most important bands for our study are summarized in Table 2.…”

Section: Nir Spectramentioning

confidence: 99%

Near Infrared Reflection Spectroscopy: A Versatile Tool for Rapid Characterization of Olefin Copolymers and High‐Throughput Experiments

Tuchbreiter

Kappler

Stockmann

et al. 2003

Macro Materials & Eng

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Near infrared (NIR) spectroscopy was developed as a rapid analytical method for the determination of the composition of olefin copolymers obtained in high‐throughput screening. NIR spectra of ethene/propene and ethene/1‐hexene copolymers, also characterized by means of 13C NMR spectroscopy, were recorded and used to design multivariate calibration models. Different methods for the preprocessing of the spectra, including the linearization by non‐linear transformations, were compared. Optimal methods and error estimates were established using crossvalidation. This technique is of particular interest for the rapid on‐line analysis of high‐throughput experiments in the field of polymer and catalyst design employing methods from combinatorial chemistry. Predicted versus true value of the propene incorporation and standard deviation for ethene/propene copolymers.magnified imagePredicted versus true value of the propene incorporation and standard deviation for ethene/propene copolymers.

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Near Infrared Spectroscopy and Chemometrics Analysis of Linear Low-Density Polyethylene

Cited by 37 publications

References 28 publications

Discrimination of various poly(propylene) copolymers and prediction of their ethylene content by near‐infrared and Raman spectroscopy in combination with chemometric methods

Discrimination of various poly(propylene) copolymers and prediction of their ethylene content by near‐infrared and Raman spectroscopy in combination with chemometric methods

Permeation Studies of PVC Pipes with near Infrared Spectroscopy

Near Infrared Reflection Spectroscopy: A Versatile Tool for Rapid Characterization of Olefin Copolymers and High‐Throughput Experiments

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