SFB 1615 - Teilprojekt B01: Materialien für SMARTe Reaktoren: Thermodynamische und kinetische Modellierung von reaktionsfähigen Materialien

The project focuses on the development of molecular thermodynamic and kinetic models describing the behaviour of stimuli-responsive materials. The ultimate goals are to provide comprehensive insights and to set the groundwork for establishing a digital twin simulator for other projects in the CRC. To achieve the goals a screening will be performed to understand the range of the stimuli-responsive behaviour. Extension of the existing models for multicomponent systems will also be performed. Modelling of swelling dynamics will then be addressed with chemical potential gradient based model, semi-empirical and lattice models.

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