| EPSRC Reference: |
GR/N03402/01 |
| Title: |
COMPUTER SIMULATIONS OF CRYSTALLISATION, SOLID-STATE AND SURFACE PROCESSES IN ENGINEERING APPLICATIONS |
| Principal Investigator: |
Thomson, Dr GB |
| Other Investigators: |
|
| Researcher Co-Investigators: |
|
| Project Partners: |
|
| Department: |
Sch of Engineering and Physical Science |
| Organisation: |
Heriot-Watt University |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
15 September 2000 |
Ends: |
14 September 2003 |
Value (£): |
50,986
|
| EPSRC Research Topic Classifications: |
|
| EPSRC Industrial Sector Classifications: |
| Manufacturing |
Chemicals |
| Pharmaceuticals and Biotechnology |
No relevance to Underpinning Sectors |
|
| Related Grants: |
|
| Panel History: |
|
|
Summary on Grant Application Form |
|
The proposal is to use computational simulation technqiues to carry out exploratory investigations into the molecular perspective of a number of practical engineering problems, in fields as diverse as pharmaceuticals and oil-field applications. The aim is to improve our reasonably limited understanding of the mechanisms by which moisture migration and additive effects take place. The techniques will be used to study the interactions taking place at both mineral/additive and catalyst surfaces, as well as looking at the chemical environment in which dopant molecules position themselves in catalyst systems. The programme proposes to carry out four feasibility studies which will demonstrate the applicability of molecular simulation techniques to these industrially-relevant problems. Overall there is a common interest in enhancing our knowledge of particulate materials at a fundamental molecular level, and the ability to apply this to practical engineering applications. The outcome will be that this study will form the basis for more in-depth, studies via an optimised route for research.
|
|
Key Findings |
|
This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
|
|
Potential use in non-academic contexts |
|
This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
|
|
Impacts |
|
| Description |
This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk |
| Summary |
|
| Date Materialised |
|
|
|
|
Sectors submitted by the Researcher |
|
This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
|
| Project URL: |
|
| Further Information: |
|
| Organisation Website: |
http://www.hw.ac.uk |