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Coatings 2016, 6(4), 55;

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

Division of Physics, University of Dundee, Perth Road, Dundee DD1 4HN, UK
Academic Editor: Alessandro Lavacchi
Received: 24 August 2016 / Revised: 21 October 2016 / Accepted: 2 November 2016 / Published: 4 November 2016
PDF [1574 KB, uploaded 4 November 2016]


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. View Full-Text
Keywords: photo-oxidation; molecularly doped polymer; cellular automata; stretched-exponential photo-oxidation; molecularly doped polymer; cellular automata; stretched-exponential

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Goldie, D.M. Cellular Automata Modelling of Photo-Induced Oxidation Processes in Molecularly Doped Polymers. Coatings 2016, 6, 55.

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