TY - THES

T1 - Investigating Hydrogen Diffusion in Filled Polymers with Simple Geometries

T2 - An ABAQUS Simulation Study

AU - Graf, Alexander Lukas

N1 - no embargo

PY - 2024

Y1 - 2024

N2 - 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.

AB - 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.

KW - Wasserstoff

KW - Permeation

KW - Finite Elemente Methode

KW - FEM

KW - ABAQUS

KW - Partikel verstärkte Polymermembranen

KW - Simulation

KW - Hydrogen

KW - Permeation

KW - Finite Element Method

KW - FEM

KW - ABAQUS

KW - Filler Particle Reinforced Polymer Membranes

KW - Simulation

U2 - 10.34901/mul.pub.2024.140

DO - 10.34901/mul.pub.2024.140

M3 - Master's Thesis

ER -