| EPSRC Reference: |
GR/S12005/01 |
| Title: |
Molecular Simualtion of Gas-Liquid Interfaces Relevant to Gas Hydrate Formation |
| Principal Investigator: |
Westacott, Dr R |
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| Department: |
Sch of Engineering and Physical Science |
| Organisation: |
Heriot-Watt University |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
14 April 2003 |
Ends: |
13 April 2005 |
Value (£): |
114,214
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| EPSRC Research Topic Classifications: |
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| EPSRC Industrial Sector Classifications: |
| Energy |
No relevance to Underpinning Sectors |
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Summary on Grant Application Form |
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Gas hydrates of natural gas are an expensive problem to the oil and gas industry, where gas hydrates form and very quickly block gas transmission lines. Traditional gas hydrate inhibition methods are not efficient in preventing hydrate formation in deepwater pipelines, and as much as 60 wt% of these inhibitors are required in areas such as the North Sea. The proposed work represents the first use of molecular simulation methods to investigate gas hydrate formation at an interface and will focus on the interface between liquid water and hydrate-forming gases under appropriate conditions for gas hydrate formation. The hydrate-forming gases of interest are methane and propane, as these are the major components of natural gas, and also individually form the two most common gas hydrate crystal structures. Molecular dynamics simulations will be used to investigate the structure of the interface between liquid water and these two gases, and mixtures of these two gases. Transport of gas molecules through and within the interfacial region will be monitored. The potential for these gas molecules to cross the interface and to agglomerate within the interface will be calculated using the free energy perturbation method. The outcomes of this work will help hydrate-related industries develop new methods of hydrate inhibition and promotion through a detailed understanding of the mechanisms through which gas hydrates form.
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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 |