QUALITY CONTROL OF COMPOSITION OF BLACK POLYMERES
Jan 03, 2016
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
www.prs.no
sample
PRESSURE
IR-beam,OUTIR-beam,IN
ZnSe-crystall
Attenuated Total Reflection (ATR)
INTENSITY VS WAVENUMBERS
Raw and 2nd derivative Spectra
www.prs.no
2nd Derivative Spectra
SAMPLE x(2nd derivatives of spectra)
y1 y2 y3
WAVENUMBER
PREDICTIVE /SPECTRAL VARIABLES
PREDICTED VARIABLES/CONCENTRATIONS
PREDICTION
www.prs.no
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?