Berlin 2005 – scientific programme

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CPP: Chemische Physik und Polymerphysik

CPP 6: SYMPOSIUM: Polymer networks and beyond: From molecular structure to materials and biological functions

CPP 6.5: Talk

Saturday, March 5, 2005, 09:55–10:10, TU C243

Computer simulations on swelling and deformation experiments of polymer networks — •Michael Lang, Dietmar Göritz, and Stefan Kreitmeier — Fakultät für Physik, AG Polymerphysik, Universität Regensburg, 93040 Regensburg

Within the simulation of polymer networks using e.g. the bond fluctuation method the detailed information on the structure of the systems can be used to understand the microscopic processes during a swelling or deformation experiment. To this end we measure the mobility of each single molecule during the simulation of a swelling experiment and the subsequent simulation of a deformation experiment on the swollen network. At the same time we determine the average forces at each monomer. A comparison of this data with the information on the well known structure of the systems, the swelling ratio or the measuered force allows for a direct analysis of the dependence of macroscopic properties on the microscopic structure. Furthermore, we can test directly the assumptions of some theories on polymer networks concerning the constrained fluctuations of different parts of the network structure, which are the basis for the calculation of macroscopic properties of the systems. However, this comparison shows, that none of the existing theories models all aspects of the constrained microscopic motion or the spatial distribution of forces with sufficient detail.