PermaSim - Semi-empirical model for permeation mechanisms through plasma-polymerised barrier coatings

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Modeling Gas Permeation through PECVD Barrier Layers: A Semi-Empirical Approach

The PermaSim project investigates the mechanisms of gas permeation through PECVD barrier layers on a micro- and nanoscale level. The goal is to develop a semi-empirical model that accurately describes gas permeability through these layers and enhances the understanding of the underlying processes.

The DFG project “PermaSim – Development of a semi-empirical model to describe the temperature-dependent permeation mechanisms through plasma-polymerized barrier coatings”, which was launched in July 2024, deals with the modelling of gas permeation through PECVD barrier coatings on a micro- and nanoscopic level. Since coating development is currently mostly empirical, a better understanding of the system is necessary in order to pursue this coating development in a more targeted manner.

Permasim eng — In the PermaSim project, a representative volume element (left) is to be derived from the comprehensive analysis of real layer systems. On this basis, a permeation model is to be developed and validated (right).

In PermaSim, selected coating systems are comprehensively characterised with regard to gas barrier, coating chemistry, coating thickness, porosity, stiffness, etc. The characterisation methods differ in the measurement effort and the resulting depth of information but provide a comprehensive overall picture of the coating. This data is used to create a representative volume element of the coating, which is then available for further simulations. These include simulations of the sorption and diffusion of gases through the coating in order to model the permeation processes. The model generated in this way is to be validated by varying parameters such as coating chemistry and structure, as well as the permeating gas, and comparing the prediction with measurement data. Finally, it will be checked which characterisation methods are relevant for the model and whether complex methods can be replaced by simpler methods. The findings from this project can be used, for example, to develop instruments for process monitoring and control in order to promote the industrial use of PECVD.

Project Data and Funding

We would like to thank the DFG for funding the project (funding code542661390) and the project partners for their cooperation.
Project Duration: –