Project DetailsMetal-Organic Frameworks, or MOFs for short, are exciting nanoporous materials at the forefront of many new scientific discoveries. These materials show extremely high surface areas and pore volumes, and have great potential for tunability of surface chemistry and pore network structure. These properties make them very attractive for adsorption-based applications, from carbon capture to drug delivery vehicles. Perhaps surprisingly, their immense potential has not yet been translated into real commercial applications. Part of the reason for this is our lack of understanding of their synthesis mechanism, which makes it difficult to develop and optimize continuous manufacturing processes that can produce MOFs with low economical and environmental cost. This project aims to fill that gap by shedding new light into the MOF synthesis process using cutting-edge computational modelling methods.
The project builds up on the expertise of the Jorge group on developing new models for predicting the performance of MOFs in adsorption applications  and in computational design of nanoporous silica materials , as well as of the Fletcher group on obtaining experimental insight into the synthesis of MOFs . The synergy between simulation and experiment will yield unprecedented insight into the mechanism by which these materials crystallise from solution, and will advance our abilities to predict and control the synthesis of MOFs.
The work will benefit from access to the Archie-West supercomputer (http://www.archie-west.ac.uk), and from the vibrant modelling community at Strathclyde’s Chemical and Process Engineering Department. In addition to undertaking cutting edge research, students are also registered for the Postgraduate Certificate in Researcher Development (PGCert), which is a supplementary qualification that develops a student’s skills, networks and career prospects.
Funding DetailsThis PhD project is initially offered on a self-funding basis. It is open to applicants with their own funding, or those applying to funding sources. However, excellent candidates will be eligible to be considered for a University scholarship.
Primary supervisor - Dr Miguel JorgeSecondary supervisor - Dr Ashleigh Fletcher
 Fischer, M.; Gomes, J. R. B.; Jorge, M. “Computational approaches to study adsorption in MOFs with unsaturated metal sites”, Mol. Simul., 2014, 40, 537.
 Pérez-Sánchez, G.; Gomes, J. R. B.; Jorge, M. “Modeling Self-Assembly of Silica/Surfactant Mesostructures in the Templated Synthesis of Nanoporous Solids”, Langmuir, 2013, 29, 2387.
 McKinstry, C.; Cussen, E. J.; Fletcher, A. J.; Patwardhan, S. V.; Sefcik, J. “Effect of synthesis conditions on formation pathways of metal organic framework (MOF-5) crystals”, Crystal Growth & Design, 2013, 13, 5481.
Ms Jacqueline Brown
+44(0) 141 574 5319
James Weir Building, 75 Montrose Street, Glasgow, G1 1XJ
How to applyApply for this PhD project here.
Please quote the project title in your application.