2003
DOI: 10.1021/jp035427h
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Combining Theory and Experiment to Study the Photooxidation of Polyethylene and Polypropylene

Abstract: A methodology, which combines experimental evidence and theoretical calculations, able to give a molecular interpretation and a quantification of the photooxidation of polyolefins is here derived. The methodology involves the analysis of experimentally recorded infrared spectra in combination with density functional theory calculations. Environmental effects are taken into account by exploiting the polarizable continuum model. A test against polyethylene and polypropylene samples UV-irradiated under the condit… Show more

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Cited by 47 publications
(36 citation statements)
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“…The mechanism commonly invoked in the radiation-induced oxidation process of PP is the attack of free radicals on the polymer chains. The alkyl radicals generated in this way react with oxygen, giving rise to hydroperoxides, alcohols, and carbonyl compounds such as carboxylic acids, ketones and esters, whose relative percentage depends on oxidation conditions [55,56]. The quantification of the various oxidation products of PP (as a result of gamma, photo, and thermal oxidation) was done by Lacoste et al [57,58].…”
Section: Resultsmentioning
confidence: 99%
“…The mechanism commonly invoked in the radiation-induced oxidation process of PP is the attack of free radicals on the polymer chains. The alkyl radicals generated in this way react with oxygen, giving rise to hydroperoxides, alcohols, and carbonyl compounds such as carboxylic acids, ketones and esters, whose relative percentage depends on oxidation conditions [55,56]. The quantification of the various oxidation products of PP (as a result of gamma, photo, and thermal oxidation) was done by Lacoste et al [57,58].…”
Section: Resultsmentioning
confidence: 99%
“…The phenomenon is also more pronounced in the case of the samples containing GA. 3 represents the FTIR spectra of the neat LLDPE film before and after different UV exposure time intervals. The significant changes of the spectra occurred in the carbonyl (1840-1670 cm -1 ), hydroxyl (3500-3300 cm -1 ) and vinyl (909 and 1641 cm -1 ) absorption bands [33][34][35][36]. The absorption band around 1712 cm -1 , which can be assigned to the C=O stretching of a ketone group grows in intensity with the UV exposure time and at the same time a band broadening is observed indicating the presence of more than one type of carbonyl group.…”
Section: Mechanical Propertiesmentioning
confidence: 99%
“…The photodegradation of pure PE has been extensively studied [20][21][22]. The reaction of PE under ultraviolet irradiation occurred via direct absorption of photons by the PE macromolecule to create excited states, and then undergo chain scission, branching cross-linking and oxidation reactions.…”
Section: Photocatalytic Degradation Mechanism Of Pe-(tio 2 / Cupc) Samentioning
confidence: 99%