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Promoting new reaction pathways with nonequilibrium flow (2019-2024)

Abstract

This project aims to develop a fundamental molecular level understanding of flow-induced physical and chemical reactions in liquids. Nonequilibrium molecular dynamics simulations will be used to gain insight into the mechanisms that promote reactions under shear, and how these are related to molecular structure and fluid composition. New relationships for determination of rate constants of reactions in nonequilibrium systems will also be developed and tested. It is expected that this knowledge will enhance the capacity to control and promote reactions. This is significant for advancement of many technologies, from development of new synthetic pathways and products, to design of lubricants that can withstand extreme strain rates.

Experts

Professor Debra Bernhardt

UQ Laureate Fellow
School of Chemistry and Molecular Biosciences
Faculty of Science
UQ Laureate Fellow and Senior Group Leader
Australian Institute for Bioengineering and Nanotechnology
Debra Bernhardt
Debra Bernhardt