Modelling of Solid State Absorption of Contaminants from Fluids
Lead Research Organisation:
Lancaster University
Department Name: Physics
Abstract
The student will undertake training in classical molecular dynamics and density functional theory. He will apply these techniques to the modelling of absorption of selected contaminants onto porous solid polymer and flow patterns of fluid over and through the polymer to determine optimal polymer configuration to achieve maximum absorption. The likely area of the project will be in the removal of contaminants from fluids, including water purification and gas absorption
People |
ORCID iD |
| Colin Lambert (Primary Supervisor) | |
| Michael Jay (Student) |
Publications
Zhao Z
(2018)
A 3D Organically Synthesized Porous Carbon Material for Lithium-Ion Batteries.
in Angewandte Chemie (International ed. in English)
O'Driscoll L
(2019)
Carbazole-Based Tetrapodal Anchor Groups for Gold Surfaces: Synthesis and Conductance Properties
in Angewandte Chemie
Studentship Projects
| Project Reference | Relationship | Related To | Start | End | Student Name |
|---|---|---|---|---|---|
| EP/N509231/1 | 01/10/2015 | 30/09/2020 | |||
| 1625335 | Studentship | EP/N509231/1 | 01/10/2015 | 30/09/2019 | Michael Jay |
| Description | Castrol |
| Organisation | BP (British Petroleum) |
| Department | Castrol |
| Country | United Kingdom |
| Sector | Private |
| PI Contribution | Density functional theory and classical molecular dynamics modelling of nanoscale processes involving fluids, polymers and contaminants. |
| Collaborator Contribution | My simulations and modelling complemented experimental work done at Castrol. Their expertise defined the initial scope of project and research questions, then guided the development of the modelling strategy until modelling and experiment could be related and inform each other. |
| Impact | - |
| Start Year | 2015 |