Abstract
The transport
of aqueous solutions in artificial nanopores is of both fundamental and technological
interest. Recently, carbon nano-structured materials (fullerenes) have attracted
a great deal of attention in nanotechnology. In fact, due to their large
specific surface area, high thermal conductivity, extremely low surface friction and
superior mechanical properties, graphene channels and carbon nanotubes (CNTs)
are promising candidates to be implemented as fluid conduits in nanosystems. Performing
Non-equilibrium Molecular Dynamics simulations, we study the transport of
water-eletrolyte solutions inside single and multi-wall graphene channels and inside
zig-zag and armchair CNTs of similar cross sectional area. In order to calibrate the
force fields, we use dedicated criteria relevant to the hydrodynamics of the systems of
interest. Different fluid driving mechanisms such as pressure fields, electro-osmosis
and thermal gradients are evaluated. We conduct a detailed analysis of the transport
efficiency of each system to impose similar volumetric flow rates. From the simulations,
we extract density and velocity profiles to study the liquid structure, wall
slippage and flow enhancement in order to compare the hydrodynamic performance
of these two novel materials.
Original language | English |
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Article number | W22.00011 |
Journal | American Physical Society. Bulletin |
Volume | 60 |
Issue number | 1 |
ISSN | 0003-0503 |
Publication status | Published - 2015 |
Event | APS March Meeting 2015 - San Antonio, United States Duration: 2 Mar 2015 → 6 Mar 2015 |
Conference
Conference | APS March Meeting 2015 |
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Country/Territory | United States |
City | San Antonio |
Period | 02/03/2015 → 06/03/2015 |