Date: Wednesday 22nd of February 2017, 14:00.
Location: MB1010 (Minerva Building).
‘Using molecular simulations to understand disordered porous materials’
by Flor R. Siperstein,
Chemical Engineering, University of Manchester, Manchester, UK.
The properties of disordered porous materials are difficult to predict. Typical characterisation tools provide limited information about the materials, and often they require some assumptions of questionable validity. In our group we have developed different approaches to understand the properties of porous materials using molecular simulation tools: from mimicking the synthesis process to generating collections of hypothetical materials. In this talk I will describe the work that we have done to create model structures of polymers and organic molecules of intrinsic microporosity, porous carbons, and defective metal organic frameworks.