Output details
13 - Electrical and Electronic Engineering, Metallurgy and Materials
University of Surrey
Mass transport in porous media from first principles: An experimental and theoretical study
Efficient gas separation and carbon capture are significant components in addressing the challenges of the world’s energy requirements. The successful utilisation of microporous materials as membranes would represent a significant advance in terms of energy efficiency and environmentally friendly energy generation. To aid the fundamental understanding of diffusion processes, flux and selectivity, we employed a multiscale strategy, incorporating fully ab initio calculations at the most sophisticated level of theory, for the first time in crystalline zeolite systems and combined with experimental data. This work attracted an “Editors’ Choice” article in Science [Science, Vol. 337, 778 (2012)].
