EPSRC Reference: |
GR/R22780/01 |
Title: |
Nanoflows:Simulation of Fluid Transport and Adsorption In Carbon Nanotubes |
Principal Investigator: |
quirke, Professor N |
Other Investigators: |
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Researcher Co-Investigators: |
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Project Partners: |
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Department: |
Chemistry |
Organisation: |
Imperial College London |
Scheme: |
Standard Research (Pre-FEC) |
Starts: |
15 January 2001 |
Ends: |
14 January 2003 |
Value (£): |
121,279
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EPSRC Research Topic Classifications: |
Materials Characterisation |
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EPSRC Industrial Sector Classifications: |
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Related Grants: |
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Panel History: |
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Summary on Grant Application Form |
The proposed project is a fundamental study of fluid transport through single and multi-wall nanotubes of various dimensions and chirality, using non-equilibrium molecular dynamics methods (NEMD), developed in our laboratory. We will develop novel molecular models by extending bond-order potentials to include long range electrostatic and non bond interactions. This will make it possible to calculate for the first time structural characteristics and transport coefficients for transport of fluid N2 and H2 through nanotubes with, for the first time, the vibrational modes of the nanotube explicitly coupled with molecular motion of the fluid. These simulations will be used to test the limits of applicability of hydrodynamic descriptions of flow including the validity of 'no-slip' boundaries. Full atomistic details, only available from simulation, will allow us to analyse and interpret at a quantitative level nanoscale transport phenomena. The data obtained and the methods developed in this proposal will be important in simulating transport in separations processes and fluidics devices based on massive arrays of regular nanostructured objects. In particular, devices based on nanostructures with high connectivity.
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Key Findings |
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Potential use in non-academic contexts |
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Impacts |
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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Project URL: |
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Further Information: |
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Organisation Website: |
http://www.imperial.ac.uk |