Modeling oil paint network formation
Abstract
Polymerized oil paint is a strongly cross-linked network and analysis of the molecular topology is practically impossible. Insight in the structure is crucial to explain several degradation processes. In this study an advanced model, based on kinetic Monte Carlo and graph theory, is developed that simulates the formation of an oil paint network and provides the desired structural information. The basic assumption is that the reactivity of the monomers depends on their ability to form cross-links. The addition of three novel routines makes the model approach a real chemical system more accurately. Furthermore, an experimental validation of the model is discussed.References
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