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QUALITY CONTROL OF COMPOSITION OF BLACK POLYMERES

QUALITY CONTROL OF COMPOSITION OF BLACK POLYMERES. ANALYSIS OF NONTRANSPARENT POLYMERS. Aim: Industrial Quality Control of polymers Procedure Mixture design Attenuated Total Reflection Derivative spectroscopy Multivariate calibration. Calibration. Prediction. y. y. x. x.

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QUALITY CONTROL OF COMPOSITION OF BLACK POLYMERES

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  1. QUALITY CONTROL OF COMPOSITION OFBLACK POLYMERES

  2. ANALYSIS OF NONTRANSPARENT POLYMERS Aim: Industrial Quality Control of polymers Procedure Mixture design Attenuated Total Reflection Derivative spectroscopy Multivariate calibration

  3. Calibration Prediction y y x x

  4. Absorbance Absorbance Wavelength Wavelength Selective a variable (The concentration of an analyte) System Y Instrumental (spectral) variables X

  5. C B A 3-Component mixture The mixture range of a three-component system, is described by a triangular surface XA + XB + XC = 1 (closure)

  6. C C B A B A

  7. C 15% 35% 10% 0% A B 80% 60%

  8. ROI (Region of Interest) 10 6 11 5 18 12 14 17 Production Target Sample 1 7 4 15 13 16 2 8 9 3

  9. www.prs.no The Mixture Design

  10. PRESSURE sample ZnSe-crystall IR-beam,OUT IR-beam,IN Attenuated Total Reflection (ATR)

  11. INTENSITY VS WAVENUMBERS

  12. www.prs.no Raw and 2nd derivative Spectra

  13. 2nd Derivative Spectra

  14. PREDICTIVE /SPECTRAL VARIABLES PREDICTED VARIABLES/ CONCENTRATIONS x (2nd derivatives of spectra) y1 y2 y3 WAVENUMBER SAMPLE

  15. www.prs.no PREDICTION

  16. LOADINGS COMP. 1

  17. LOADINGS COMP. 2

  18. LOADINGS COMP. 3

  19. LOADINGS COMP. 4

  20. LOADINGS COMP. 5

  21. PREDICTION Attenuated Total Reflectance spectrum 2nd derivative spectrum Concentrations (Mixture space)

  22. 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.

  23. CHEMOMETRICS/QUALIMETRICS

  24. RAW MATERIAL (FEED) QUALITY=f(NIR) MANUFACTURING PROCESS CONTROL=f(NIR) PRODUCT QUALITY=f(NIR) PROPERTY(QUALITY) <= NIR RELATIONSHIPS

  25. PROCESS CHEMOMETRICS IDENTIFY CRITICAL STEPS CONTROL?NEW MEASUREMENTS?NEW TOOLS?

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