Cross-Linking Nitroxide-Mediated Radical Copolymerization from a Bayesian Experimental Design Angle

Authors

  • Afsaneh Nabifar,

    1. Institute for Polymer Research (IPR), Department of Chemical Engineering, University of Waterloo, Waterloo, Ontario, N2L 3G1, Canada
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  • Julio Hernandez-Ortiz,

    1. Facultad de Química, Departamento de Ingeniería Química, Universidad Nacional Autónoma de México, CP 04510 México D.F., México
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  • Eduardo Vivaldo-Lima,

    1. Facultad de Química, Departamento de Ingeniería Química, Universidad Nacional Autónoma de México, CP 04510 México D.F., México
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  • Alexander Penlidis

    Corresponding author
    1. Institute for Polymer Research (IPR), Department of Chemical Engineering, University of Waterloo, Waterloo, Ontario, N2L 3G1, Canada
    • Institute for Polymer Research (IPR), Department of Chemical Engineering, University of Waterloo, Waterloo, Ontario, N2L 3G1, Canada
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Abstract

Summary: In an attempt to collect “meaningful” experimental data in cross-linking nitroxide-mediated radical copolymerization of stryene and divinyl benzene, a Bayesian design approach was used to derive optimal experimental sequences to be carried out in the laboratory. Since a considerable amount of prior knowledge about this polymerization system was already available from previous experimental and modeling efforts, application of the Bayesian design of experiments seemed like a perfect approach. In addition, the implementation of the Bayesian approach would, in principle, result in running fewer experiments, hence saving considerable time and resources.

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