Dresden 2006 – scientific programme

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CPP: Chemische Physik und Polymerphysik

CPP 27: POSTER Polymer Physics and Materials

CPP 27.39: Poster

Thursday, March 30, 2006, 17:00–19:00, P2

Gas Induced Dilation in Glassy Polymers - Combining Experiment, Phenomenological Models and Simulation — •Ole Hölck¹, Martin Böhning¹, Matthias Heuchel², and Martin R. Siegert² — ¹Bundesanstalt für Materialforschung und -prüfung (BAM), Unter den Eichen 87, 12205 Berlin, Germany — ²GKSS Forschungszentrum, Institut für Polymerforschung, Kantstrasse 55, 14513 Teltow, Germany

Dense amorphous polymers are utilised as barrier materials or membranes in a variety of applications. Considerable efforts have been made to describe and characterise solution and diffusion of small penetrants constituting the permeation process. However, little is known about the mechanisms which - at elevated concentrations and long term exposure - lead to plasticisation of the polymer matrix and subsequent structural rearrangements. In this joint research project a thorough kinetic analysis of sorptive dilation along with the evaluation in the framework of phenomenological models, such as the Site Distribution-model of Kirchheim, is utilised to relate the results of laboratory experiments to complementary investigations of detailed atomistic MM/MD-packing models. The results are based on established analysis methods as well as promising new approaches to overcome the discrepancies due to the different time scales of observation in experiment and modelling. Comparison is made between measured and simulated characteristics relevant to gas transport and dilation, such as diffusivity and solubility of the penetrant and free volume distribution of the polymer matrix.