On Friday June 8 at 10.30 am, Jack D. Evans will present his work on 'Computational and Experimental Investigations of the Negative Gas Adsorption Phenomenon' in lecture room Shingo, for which an abstract can be found below. Jack is a computational physicist working on the mechanical stability of breathing materials such as the DUT family. He obtained his PhD from the University of Adelaide in 2015, and subsequently joined the Coudert group at Chimie ParisTech, focussing on the investigation of negative gas adsorption and the application of machine learning tools for nanoporous materials such as zeolites and MOFs. Since September 2017, he is a postdoctoral research in the group of Stefan Kaskel at the Technische Universität Dresden.
Computational and Experimental Investigations of the Negative Gas Adsorption Phenomenon
The flexibility and stimuli-response of metal–organic frameworks (MOFs) give rise to unexpected and often desirable adsorption phenomena. However, a common feature of all isothermal gas adsorption phenomena is increased gas adsorption following an increase in pressure. We investigate adsorption transitions observed for MOFs that exhibit negative gas adsorption (NGA); defined by a spontaneous desorption of gas during a pressure increase for a defined temperature. Our research uses in situ powder X-ray diffraction, gas adsorption experiments and simulation to explore the structural deformations and pore contraction of the materials, which are responsible for NGA. The combination of this varied expertise has highlighted several thermodynamic conditions and material properties required for NGA and approaches to generate new and advanced stimuli-responsive materials.