Investigating Hydrogen Diffusion in Filled Polymers with Simple Geometries: An ABAQUS Simulation Study

Alexander Lukas Graf

Research output: ThesisMaster's Thesis

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This work was carried out in the context of the module "Polymers 4 Hydrogen" at the Polymer Competence Center Leoben GmbH. The aim of this thesis was to create a Finite Element Method (FEM) model for the simulation of hydrogen diffusion through particle filled membranes with an interface zone around the filler particles. This FEM model was based on an extended Nielsen model and was implemented in ABAQUS. At the end of this thesis, a comparison was made between the interface model, a standard FEM model without interface zone and the analytical solution of the extended Nielsen model. For all simulations performed in this thesis, it was assumed that the polymer matrix is a homogeneous material and the filler particles act as absolute barriers which were therefore implemented as holes in the matrix. Each filler particle was modelled with a thin interface around its boundary edges that separates the particle from the matrix. In this interface zone, an orientation is applied to the mesh nodes that allows the diffusivity of the interface zone to be changed depending on the direction of flow and the adhesion coefficient. The purpose of this interface zone was to represent the true interfacial diffusion behavior between a filler particle and the matrix material. Several ways to implement such an interface zone in an FEM model were evaluated. In the final version of the model, the interface zone was implemented at the mesh node level through the use of ABAQUS subroutines. In these models, the filler particles were regularly and periodically arranged in the membrane according to the assumptions of the Nielsen model. The evaluation and comparison of the analytical model results with the results of the FEM simulations with and without the interface zone showed that the FEM simulations with an interface zone were in better agreement with the analytical data than the simulations without the zone.
Translated title of the contributionUntersuchung von Wasserstoffdiffusion in gefüllten Polymeren mit einfachen Geometrien: Eine ABAQUS Simulationsstudie
Original languageEnglish
Awarding Institution
  • Montanuniversität
  • Lucyshyn, Thomas, Supervisor (internal)
Award date28 Jun 2024
Publication statusPublished - 2024

Bibliographical note

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  • Hydrogen
  • Permeation
  • Finite Element Method
  • FEM
  • Filler Particle Reinforced Polymer Membranes
  • Simulation

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