QUALITY CONTROL OF

COMPOSITION OF

BLACK POLYMERES

ANALYSIS OF NONTRANSPARENT POLYMERS

Aim:

Industrial Quality Control of polymers

Procedure

Mixture designAttenuated Total ReflectionDerivative spectroscopyMultivariate calibration

Calibration Prediction

x

y y

x

xbby 10

Instrumental (spectral) variables

Wavelength

Abs

orba

nce

SystemSelective a variable(The concentration of an analyte)

Wavelength

Abs

orba

nce

X

Y

Xbxfy )(

A

B

C3-Component mixture

The mixture range of a three-componentsystem, is described by a triangular surfaceXA + XB + XC = 1 (closure)

A B

C

A

B

C

A B

C

15%

35%

60%80%

10%

0%

ROI (Region of Interest)

1

6

17

5

15

7 4

14

2 3

10 11

12

13

98

16

18

Production TargetSample

The Mixture Design

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sample

PRESSURE

IR-beam,OUTIR-beam,IN

ZnSe-crystall

Attenuated Total Reflection (ATR)

INTENSITY VS WAVENUMBERS

Raw and 2nd derivative Spectra

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2nd Derivative Spectra

SAMPLE x(2nd derivatives of spectra)

y1 y2 y3

WAVENUMBER

PREDICTIVE /SPECTRAL VARIABLES

PREDICTED VARIABLES/CONCENTRATIONS

PREDICTION

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LOADINGS COMP. 1

LOADINGS COMP. 2

LOADINGS COMP. 3

LOADINGS COMP. 4

LOADINGS COMP. 5

Attenuated Total Reflectance spectrum

2nd derivative spectrum

Concentrations

(Mixture space)

PREDICTION

By looking at instrumental analysis as a way of numeric characterisation of complex system, the kinds of prediction analysis shown in this lecture can be performed to obtain any kind of property of a system that can be precisely represented by a continuous instrument profile.

CHEMOMETRICS/QUALIMETRICS

RAW MATERIAL(FEED)

MANUFACTURINGPROCESS

PRODUCT

QUALITY=f(NIR)

CONTROL=f(NIR)

QUALITY=f(NIR)

PROPERTY(QUALITY) <= NIRRELATIONSHIPS

PROCESS CHEMOMETRICS

IDENTIFY CRITICAL STEPS

CONTROL?

NEW MEASUREMENTS?

NEW TOOLS?