EPSRC logo

Details of Grant 

EPSRC Reference: GR/R22780/01
Title: Nanoflows:Simulation of Fluid Transport and Adsorption In Carbon Nanotubes
Principal Investigator: quirke, Professor N
Other Investigators:
Researcher Co-Investigators:
Project Partners:
Department: Chemistry
Organisation: Imperial College London
Scheme: Standard Research (Pre-FEC)
Starts: 15 January 2001 Ends: 14 January 2003 Value (£): 121,279
EPSRC Research Topic Classifications:
Materials Characterisation
EPSRC Industrial Sector Classifications:
Chemicals
Related Grants:
Panel History:  
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.
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.imperial.ac.uk