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.
|Number of pages
|Polymer Degradation and Stability
|Published - 1 Jan 2016
- Kinetic Monte Carlo
- Polymer coating