Cellular Automata Modelling of Photo-Induced Oxidation Processes in Molecularly Doped Polymers

The possibility of employing cellular automata (CA) to model photo-induced oxidation processes in molecularly doped polymers is explored. It is demonstrated that the oxidation dynamics generated using CA models exhibit stretched-exponential behavior. This dynamical characteristic is in general agree...

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Bibliographic Details
Published inCoatings (Basel) Vol. 6; no. 4; p. 55
Main Author Goldie, David M
Format Journal Article
LanguageEnglish
Published Basel MDPI AG 01.12.2016
Subjects
Cellular automata
Dynamic tests
Dynamics
Mathematical analysis
Mathematical models
Oxidation
Polymers
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Summary:The possibility of employing cellular automata (CA) to model photo-induced oxidation processes in molecularly doped polymers is explored. It is demonstrated that the oxidation dynamics generated using CA models exhibit stretched-exponential behavior. This dynamical characteristic is in general agreement with an alternative analysis conducted using standard rate equations provided the molecular doping levels are sufficiently low to prohibit the presence of safe-sites which are impenetrable to dissolved oxygen. The CA models therefore offer the advantage of exploring the effect of dopant agglomeration which is difficult to assess from standard rate equation solutions. The influence of UV-induced bleaching or darkening upon the resulting oxidation dynamics may also be easily incorporated into the CA models and these optical effects are investigated for various photo-oxidation product scenarios. Output from the CA models is evaluated for experimental photo-oxidation data obtained from a series of hydrazone-doped polymers.
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ISSN:2079-6412
2079-6412
DOI:10.3390/coatings6040055