Materials for SMART reactors: Thermodynamic and kinetic modelling of responsive materials (B01)

• Subject Area: Chemical and Thermal Process Engineering
• Term: since 2023
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 503850735

The project focuses on the development of molecular thermodynamic and kinetic models describing the behavior 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 behavior. 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.

• DFG Programme: Collaborative Research Centres
• Subproject of: SFB 1615: SMART Reactors for Future Process Engineering
• Applicant Institution: Technische Universität Hamburg
• Project Heads: Professor Dr. Pavel Gurikov; Professorin Dr.-Ing. Irina Smirnova