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Ph. D. ThesisPh. D. Thesis 4. Experiments, Setups and Data Sets 4. Experiments, Setups and Data Sets 4.5. Data Sets 4.5. Data Sets 4.5.2. Homologous Series of the Low Alcohols4.5.2. Homologous Series of the Low Alcohols 4.5.2.1. Methanol and Ethanol by the SPR Setup4.5.2.1. Methanol and Ethanol by the SPR Setup
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Ph. D. Thesis
  Abstract
  Table of Contents
  1. Introduction
  2. Theory – Fundamentals of the Multivariate Data Analysis
  3. Theory – Quantification of the Refrigerants R22 and R134a: Part I
  4. Experiments, Setups and Data Sets
    4.1. The Sensor Principle
    4.2. SPR Setup
    4.3. RIfS Sensor Array
    4.4. 4l Miniaturized RIfS Sensor
    4.5. Data Sets
      4.5.1. Refrigerants R22 and R134a
      4.5.2. Homologous Series of the Low Alcohols
        4.5.2.1. Methanol and Ethanol by the SPR Setup
        4.5.2.2. Methanol, Ethanol and Propanol by the SPR Setup
        4.5.2.3. Methanol, Ethanol and Propanol by the RIfS Array and the 4l Setup
        4.5.2.4. Quaternary Mixtures of Alcohols by the RIfS Array and the SPR Setup
  5. Results – Kinetic Measurements
  6. Results – Multivariate Calibrations
  7. Results – Genetic Algorithm Framework
  8. Results – Growing Neural Network Framework
  9. Results – All Data Sets
  10. Results – Various Aspects of the Frameworks and Measurements
  11. Summary and Outlook
  12. References
  13. Acknowledgements
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4.5.2.1.   Methanol and Ethanol by the SPR Setup

 An about 300 nm thick Makrolon layer was coated on the glass prism of the SPR setup. Further details of the experimental setup can be found in [190]. In addition to several single analyte measurements, 2 datasets were recorded for a multicomponent analysis [191]. The calibration data set is a 9-level full factorial design whereby the relative saturation pressures (pi/pi0) of methanol and ethanol were varied between 0 and 0.045. The validation data set is an 8-level full factorial design with relative saturation pressures between 0.0025 and 0.0425. 24 measurements were identified as outliers according to [192], whereby 20 measurements of the calibration set and 4 measurements of the test set were removed. These measurements showed outlying high signals and were recorded in series. During all measurements, the polycarbonate was exposed to the analyte mixtures for 120 s and after that to synthetic air during 300 s. During the exposure to analyte the data were recorded every 5 s and during the exposure to synthetic air with a time resolution of 10 s resulting in 53 time points (see also figure 15).

 

figure 15:  Sensor responses of different concentrations of single analytes recorded during 120 seconds of exposure to analyte and afterwards during exposure to synthetic air. The x-axis represents the exposure time, the y-axis represents different relative saturation pressures (concentrations) of the analytes and the z-axis represents the signal shifts during the SPR measurement.

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