Our research in a nutshell
This video is part of the Research in a Nutshell initiative of the University of Edinburgh.
News
- Congratulations to Linjiang who won a Chinese Government Award for Outstanding Self-Financed Students Abroad. The award is presentedto recognise research accomplishments of Chinese graduate students studying outside china without government funding. In 2013, a total of 489 PhD students from all fields of academic research around the world received an award, 28 of which were from the UK.
- Ana and Matt will present their research at the Fundamentals of Adsorption conference in Baltimore in May 2013.
- Matt and Thomas Alexander, who worked as a summer student with us last year, both presented their work at the annual meeting of the BZA in Keele in April 2013.
- Congratulations to Peyman Zaroufchian Moghadam who passed his viva on 20 Dec 2012. His PhD thesis is entitled "Molecular simulation studies of gas adsorption and separation in metal-organic frameworks".
Molecular Simulation & Nanoporous Solids
We use computer simulation to gain molecular-level insight into adsorption
and diffusion phenomena in nanoporous solids such as metal-organic
frameworks, zeolites and mesoporous oxides. Using molecular simulation we
can predict macroscopic adsorption properties such as the uptake of a
gas or the mixture selectivity (a measure of how well a solid discriminates
between different components in a mixture). More importantly, we also get
a detailed picture on the molecular scale which is not easily accessible
with experimental methods.
Molecular simulation helps us to understand the fundamentals and to asses
which molecular-level properties are responsible for the performance of a
porous solid. This insight is invaluable for finding promising materials
for a particular application and ultimately can help to develop better
materials. Molecular simulation also works hand-in-hand with experiments
to characterise porous materials and to understand what is going on. Our
work involves close collaboration with material chemists synthesising
porous materials as well as scientists and engineers interested in their
application.
