| EPSRC Reference: |
GR/R23008/01 |
| Title: |
Sorption and Diffusion of Hydrocarbons In Microporous Materials: Combined Experimental and Simulation Study |
| Principal Investigator: |
Rees, Professor LV |
| Other Investigators: |
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| Researcher Co-Investigators: |
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| Project Partners: |
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| Department: |
Sch of Chemistry |
| Organisation: |
University of Edinburgh |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
01 April 2001 |
Ends: |
30 September 2004 |
Value (£): |
232,142
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| EPSRC Research Topic Classifications: |
| Catalysis & Applied Catalysis |
Materials Characterisation |
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| EPSRC Industrial Sector Classifications: |
| Manufacturing |
Chemicals |
| Information Technologies |
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Summary on Grant Application Form |
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Recent preliminary studies have shown some very exciting differences in the diffusion and sorption of aromatic and the corresponding cyclic saturated hydrocarbon molecules in the channels of silicalite-1 zeolite. We propose to extend these studies using a much wider selection of equivalent unsaturated and saturated hydrocarbons in, firstly, silicalite-1. We propose to study molecules with lengths between 0.8 and 1.5nm to establish the reasons for the very much faster diffusivities and higher packing efficiencies when linear, rigid molecules of 1 nm length, the distance between the channel intersections of silicalite-1, are involved. These studies will be extended to cover other microporous materials which have channels of similar dimensions to those in silicalite-1, e.g. THETA-1 and EU-1 and MORDENITE but which have one-dimensional channel networks or one-dimensional channels with dead-end side pockets respectively. Aluminophosphates with similar pore structures to these zeolites will, also, be studied to determine the effect of change in framework composition. The effect of the introduction of AI into the pure silica zeolite and of Si into the pure alumionophosphate frameworks will be determined.Complementary to this experimental programme, we will study these systems using Monte Carlo simulation methods, in order to probe with atomic resolution the sorption, packing and transport within these frameworks.
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Key Findings |
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Potential use in non-academic contexts |
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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 |
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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.ed.ac.uk |