Multiscale Process Systems Engineering: Computer-Aided Integrated Material and Process Design
Teng Zhou
Max Plank Institute for Dynamics of Complex Technical Systems
Magdeburg, Germany
zhout@mpi-magdeburg.mpg.de
Due to the Corona situation the seminar will be held virtually.
If you wish to follow the seminar you will have to sign up by sending an
e-mail to Christian Ove Carlsson cc@kt.dtu.dk
hereafter you will receive an invitation to join the virtual seminar.
Abstract:
In recent decades, we have seen continuous progress in increasing the efficiency of chemical processes by optimal process design and intensification.
However, one should note that this increment is doomed to be limited if we focus solely on the process-level optimization. Functional materials (e.g., solvent, catalyst, and adsorbent) are widely used in chemical industry to increase the process efficiency and reduce its environmental impact.
Therefore, the optimal selection or design of these materials represents the core of future’s process industry advances. Importantly, due to the strong interdependence between material selection and process operation, it is necessary to perform integrated material and process design.
Unfortunately, the solution of this integrated design problem is not easy because multiple models at different scales are involved. In this talk, a systematic method for integrated molecular (material) and process design is first proposed.
Several different real-world applications are then introduced to demonstrate the efficiency and reliability of the design method. Finally, the high potential of machine learning and digital chemistry methods for functional material design and chemical product design is highlighted.