Diffusion of volatile compounds in fibre networks: experiments and modelling by random walk simulation

Abstract

Predictive migration models for polymers are already so well established that the European Commission intends to allow the use of the models as one quality assurance tool in product safety assessment of plastic materials and articles for food contact. The inhomogeneity of fibre-based materials makes modelling difficult--thus, little research has been done in this area. The authors compare experiments on the diffusion of certain volatile compounds through laboratory kraft pulp sheets with computer simulations in which the fibre network structure is modelled explicitly. The major advantage of the present random walk simulation is that it gives an estimate of the effective diffusion constant for the fibre network. For most compounds, the agreement between the experiments and simulations is good. The experiments and simulations indicate that gas diffusion rate is very sensitive to sheet porosity.