| EPSRC Reference: |
GR/R26085/01 |
| Title: |
Topology of Chemical Reaction Networks |
| Principal Investigator: |
Ocone, Professor R |
| Other Investigators: |
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| Researcher Co-Investigators: |
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| Project Partners: |
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| Department: |
Sch of Engineering and Physical Science |
| Organisation: |
Heriot-Watt University |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
19 November 2001 |
Ends: |
18 January 2005 |
Value (£): |
167,690
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| EPSRC Research Topic Classifications: |
| Gas & Solution Phase Reactions |
Logic & Combinatorics |
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| EPSRC Industrial Sector Classifications: |
| Manufacturing |
Chemicals |
| Food and Drink |
Pharmaceuticals and Biotechnology |
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| Related Grants: |
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| Panel History: |
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Summary on Grant Application Form |
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The problem of lumping the kinetic behaviour of multi-component mixtures is important precisely because it is impossible In general to describe in detail the behaviour of each individual component. This project aims to develop new topological methodologies for studying chemical reaction networks. The mathematical approach adopted will be that of computational graph theory. The approach will be via bath nodal and arc weighted graphs, the weightings on the graphs will act as filters for the various mixture components. Initially the data used will be from industrially relevant systems such as pyrolysis of minerals and biomasses, and combustion. Thereby, the idea being that since the reaction processes in such cases are already well-known by other nontopological (analytic) methods then the accuracy of the newly developed computational alagorithms can be tested. Throughout the project more complicated kinetic networks will be encompassed by the development of progressively more advanced and representative algorithms. The ultimate objective of this proposed programme is to develop algorithms which are predictive and generic in that they will not be restricted to particular lumped mixtures, but rather applicable to an entire class of reaction networks.
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Key Findings |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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Potential use in non-academic contexts |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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Impacts |
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| Description |
This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk |
| Summary |
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| Date Materialised |
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Sectors submitted by the Researcher |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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| Project URL: |
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| Further Information: |
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| Organisation Website: |
http://www.hw.ac.uk |