The influence of the exposure conditions on the simulated photodegradation process of polyester-urethane coatings

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Abstract

A kinetic Monte Carlo method to simulate photodegradation of a polymer coating is applied to the weathering process of a polyester-urethane clearcoat during artificial exposure under different conditions. Firstly, the optimised simulation parameters that yield the best match with experimentally measured results on the depth-resolved ester and urethane bond fractions are determined and compared for two different aerobic exposure experiments (one in a Weather-Ometer (WOM) and one in a Suntest equipment). Secondly, several other quantities that are obtained from the simulations, but cannot be determined experimentally, are compared, such as the fraction of newly formed crosslink bonds, absorptivity states, oxidised states, the fraction of radicals, the concentration of oxygen and the total amount of remaining material. Depth-inhomogeneity of the rate of photon absorption leads to the formation of distinct depth gradients in the WOM simulation, while a much more homogeneous evolution is obtained for the Suntest-air simulation. Photo-oxidative damage in the WOM simulation is more concentrated on the upper layer of the coating, resulting in the extensive evaporation of highly oxidised material, whereas degradation in the Suntest-air simulation is more spread out over the entire coating thickness, resulting in less material loss.

Original languageEnglish
Pages (from-to)121-130
Number of pages10
JournalPolymer Degradation and Stability
Volume123
DOIs
Publication statusPublished - 1 Jan 2016

Fingerprint

urethanes
Polyesters
Urethane
Photodegradation
polyesters
coatings
Coatings
weather
simulation
Weathering
Air
Reactive Oxygen Species
Esters
Polymers
Evaporation
Monte Carlo methods
Photons
Degradation
Kinetics
Oxygen

Keywords

  • Kinetic Monte Carlo
  • Photodegradation
  • Polyester-urethane
  • Polymer coating
  • Simulation

Cite this

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title = "The influence of the exposure conditions on the simulated photodegradation process of polyester-urethane coatings",
abstract = "A kinetic Monte Carlo method to simulate photodegradation of a polymer coating is applied to the weathering process of a polyester-urethane clearcoat during artificial exposure under different conditions. Firstly, the optimised simulation parameters that yield the best match with experimentally measured results on the depth-resolved ester and urethane bond fractions are determined and compared for two different aerobic exposure experiments (one in a Weather-Ometer (WOM) and one in a Suntest equipment). Secondly, several other quantities that are obtained from the simulations, but cannot be determined experimentally, are compared, such as the fraction of newly formed crosslink bonds, absorptivity states, oxidised states, the fraction of radicals, the concentration of oxygen and the total amount of remaining material. Depth-inhomogeneity of the rate of photon absorption leads to the formation of distinct depth gradients in the WOM simulation, while a much more homogeneous evolution is obtained for the Suntest-air simulation. Photo-oxidative damage in the WOM simulation is more concentrated on the upper layer of the coating, resulting in the extensive evaporation of highly oxidised material, whereas degradation in the Suntest-air simulation is more spread out over the entire coating thickness, resulting in less material loss.",
keywords = "Kinetic Monte Carlo, Photodegradation, Polyester-urethane, Polymer coating, Simulation",
author = "Adema, {Koen N.S.} and Hesam Makki and Frank Peters and Jozua Laven and {Van Der Ven}, {Leendert G.J.} and {Van Benthem}, {Rolf A.T.M.} and {De With}, Gijsbertus",
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The influence of the exposure conditions on the simulated photodegradation process of polyester-urethane coatings. / Adema, Koen N.S.; Makki, Hesam; Peters, Frank; Laven, Jozua; Van Der Ven, Leendert G.J.; Van Benthem, Rolf A.T.M.; De With, Gijsbertus.

In: Polymer Degradation and Stability, Vol. 123, 01.01.2016, p. 121-130.

Research output: Contribution to journalArticleAcademicpeer-review

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N2 - A kinetic Monte Carlo method to simulate photodegradation of a polymer coating is applied to the weathering process of a polyester-urethane clearcoat during artificial exposure under different conditions. Firstly, the optimised simulation parameters that yield the best match with experimentally measured results on the depth-resolved ester and urethane bond fractions are determined and compared for two different aerobic exposure experiments (one in a Weather-Ometer (WOM) and one in a Suntest equipment). Secondly, several other quantities that are obtained from the simulations, but cannot be determined experimentally, are compared, such as the fraction of newly formed crosslink bonds, absorptivity states, oxidised states, the fraction of radicals, the concentration of oxygen and the total amount of remaining material. Depth-inhomogeneity of the rate of photon absorption leads to the formation of distinct depth gradients in the WOM simulation, while a much more homogeneous evolution is obtained for the Suntest-air simulation. Photo-oxidative damage in the WOM simulation is more concentrated on the upper layer of the coating, resulting in the extensive evaporation of highly oxidised material, whereas degradation in the Suntest-air simulation is more spread out over the entire coating thickness, resulting in less material loss.

AB - A kinetic Monte Carlo method to simulate photodegradation of a polymer coating is applied to the weathering process of a polyester-urethane clearcoat during artificial exposure under different conditions. Firstly, the optimised simulation parameters that yield the best match with experimentally measured results on the depth-resolved ester and urethane bond fractions are determined and compared for two different aerobic exposure experiments (one in a Weather-Ometer (WOM) and one in a Suntest equipment). Secondly, several other quantities that are obtained from the simulations, but cannot be determined experimentally, are compared, such as the fraction of newly formed crosslink bonds, absorptivity states, oxidised states, the fraction of radicals, the concentration of oxygen and the total amount of remaining material. Depth-inhomogeneity of the rate of photon absorption leads to the formation of distinct depth gradients in the WOM simulation, while a much more homogeneous evolution is obtained for the Suntest-air simulation. Photo-oxidative damage in the WOM simulation is more concentrated on the upper layer of the coating, resulting in the extensive evaporation of highly oxidised material, whereas degradation in the Suntest-air simulation is more spread out over the entire coating thickness, resulting in less material loss.

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