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Materials and applications

Degradation, sorption and thermal transport

How do polymers respond to their environment? A new simulation framework for chemical degradation in polymeric solids is complemented by studies of CO2 sorption in molten polystyrene and of how the thermal conductivity of amorphous polymers depends on molecular weight.

Publications

Publications related to this direction, newest first; key papers are tagged. The complete list is on the Publications page.

2026

  • Simulation Framework for the Chemical Degradation in Polymeric Solids Key paper

    K. Steiakakis, G. G. Vogiatzis, L. C. A. V. Breemen, M. Hütter

    The Journal of Physical Chemistry A, 130, 5030-5044 · doi:10.1021/acs.jpca.6c00943

2021

  • Thermal conductivity of amorphous polymers and its dependence on molecular weight Key paper

    A. Kiessling, D. N. Simavilla, G. G. Vogiatzis, D. C. Venerus

    Polymer, 228, 123881 · doi:10.1016/j.polymer.2021.123881

2020

  • Molecular Simulations and Mechanistic Analysis of the Effect of CO2 Sorption on Thermodynamics, Structure, and Local Dynamics of Molten Atactic Polystyrene

    E. Ricci, N. Vergadou, G. G. Vogiatzis, M. G. D. Angelis, D. N. Theodorou

    Macromolecules, 53, 3669-3689 · doi:10.1021/acs.macromol.0c00323

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