Snapshot of hyperbranched poly(ester amide) (hybrane) melt at T=555 K |
The Theoretical
Modeling and Simulation group of Physical Chemistry laboratory of the Chemical
Engineering Department specializes in the study of the physicochemical
behavior of fluids, mixtures and polymer-based systems. The laboratory
possesses 64 dedicated CPUs, has access to GRID infrastructure and acquires
the relevant know-how in theoretical modeling and simulation methodologies. |
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In the last 5 years
particular emphasis is given to the investigation of the
structure/property relations of
polymer-based systems, including single and multiphase systems,
multicomponent mixtures and materials (organic/inorganic,
synthetic/biological etc), and in particular in their static, dynamic and
thermodynamic behavior by the aid of different simulation techniques (Monte
Carlo, Molecular Dynamics, Brownian Dynamics).
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