M. Sc. Jonas Bentrup
PhD student
| Address: | Leobener Str. 6 (UFT) |
| Room: | 1220 |
| Email: | Please click here |
| Tel.: | 0421 218-50282 |
Project
In an ultrasound bath, numerous effects that influence reactivity have been observed: Remarkably high pressures and temperatures as well as stretching forces give rise to a plethora of chemical effects. However, the field of ’sonochemistry’ suffers from a lack of understanding of the underlying processes at the molecular level. This project aims at generating such an understanding by developing a computational approach to simulate chemistry in an ultrasound bath. With the developed computational protocol, sonochemically induced reactions and polymer degradation in an ultrasound bath shall be understood, paving the way for an optimization of these processes.
Funding by the Deutsche Forschungsgemeinschaft via grant no. STA 1526/8-1 is gratefully acknowledged.
Publications
J. Bentrup, R. Weiß, F. Zeller, T. Neudecker, “Achieving Pressure Consistency in Mechanochemical Simulations of Chemical Reactions Under Pressure”, ChemRxiv 2024, DOI: 10.26434/chemrxiv-2024-fgzjq.
