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Interaction of Fluids with Nanomaterials: Insights from molecular simulation

N. Quirke
Imperial College, UK

Keywords:
nanomaterials, flow, simulation

Abstract:
The way fluids flow into and fill regular nanopores is of wide interest. Until very recently there was little experimental data and few validated theoretical models. Now however experimental results for flow of fluids in nanopores with diameters from 7nm upwards as well as simulation and theoretical analysis, for even smaller pores are beginning to throw considerable light on nanofluidics. In this lecture we review what is known concerning flow in model nanopores from theory, simulation and experiment, and present new results for dynamical properties of filled and empty nanotubes, .
 

references
V. P. Sokhan, D Nicholson and N Quirke J Chem Phys 117,8531, (2002)
V. P. Sokhan and N Quirke. Mol Sim, 30, 217 (2004),
S Supple and N Quirke, Phys Rev Letts, 90, 14501, (2003)
S Supple and N Quirke, J Chem Phys 121, 8571 (2004), ibid 122, 104706 (2005)
M Longhurst and N Quirke, Mol Sim. 31, 135 (2005)

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