Investigation of Surface-Attached Metal-Organic Frameworks
Lead Research Organisation:
University of Strathclyde
Department Name: Chemical and Process Engineering
Abstract
This research project aims to study the growth of metal-organic frameworks (MOFs) on functionalized surfaces using the layer-by-layer (LbL) solution phase deposition method with focus on improving the quality and stability of the formed thin film structures in ambient conditions. The objective of this project is to investigate the template effect of the surface and the effects of temperature and agitation on the physical and chemical attributes of the MOFs produced. The experimental work will be supported by molecular modelling of the MOF thin film properties. Molecular simulations will be used to characterise the MOF materials through geometric characterisation software (e.g. PoreBlazer) and prediction of adsorption isotherms. The latter calculations will utilize Grand Canonical Monte Carlo simulations using molecular models developed in our group. Subsequently, molecular dynamics simulations will be carried out to further understand the process of growth of MOF crystals on the template surfaces.
Organisations
Studentship Projects
| Project Reference | Relationship | Related To | Start | End | Student Name |
|---|---|---|---|---|---|
| EP/N509760/1 | 01/10/2016 | 30/09/2021 | |||
| 1981906 | Studentship | EP/N509760/1 | 01/02/2017 | 30/11/2021 | Kristina Sladekova |
| EP/R513349/1 | 01/10/2018 | 30/09/2023 | |||
| 1981906 | Studentship | EP/R513349/1 | 01/02/2017 | 30/11/2021 | Kristina Sladekova |
| Description | Poster presentation at a conference |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Industry/Business |
| Results and Impact | Poster presentation about my project at annual CCP5 conference in Glasgow 2017 |
| Year(s) Of Engagement Activity | 2017 |
| Description | Presentation at a conference |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Industry/Business |
| Results and Impact | A presentation on 'Comparing Simulations and Experiments of Ethane/Ethylene Adsorption in a Metal Organic Framework with Open Metal Sites' at a national conference which also led to interesting questions, discussions and exchanges of ideas and possible collaboration plans with other researchers. |
| Year(s) Of Engagement Activity | 2019 |