CHPC invites you to attend its second research seminar to take place on Friday, 28 August 2015 from 13:00 – 14:00, at the CHPC. The seminar will be presented by invited speaker: Prof. Catharine Esterhuysen, from the Department of Chemistry and Polymer Science at Stellenbosch University.
Title: Computational chemistry methods in analysing the properties of porous materials
Abstract: Intermolecular interactions play a fundamentally important role in the properties of solid materials. For instance, molecules ("guests") are taken up into porous materials ("hosts") as a result of the interactions between these species, while the manner in which they interact has an influence on sorption ability of the porous material. In this presentation the results of calculations performed using the CHPC's computational facility will be used to elucidate the role of intermolecular interactions in various properties of porous materials, including sorption, polar ordering and negative thermal expansion.
Last Updated on Tuesday, 25 August 2015 15:54