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J Chem Phys. 2012 May 14;136(18):184701. doi: 10.1063/1.4712034.

Temperature dependence of fluid transport in nanopores.

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Columbia Nanomechanics Research Center, Department of Earth and Environmental Engineering, Columbia University, New York, New York 10027, USA.


Understanding the temperature-dependent nanofluidic transport behavior is critical for developing thermomechanical nanodevices. By using non-equilibrium molecular dynamics simulations, the thermally responsive transport resistance of liquids in model carbon nanotubes is explored as a function of the nanopore size, the transport rate, and the liquid properties. Both the effective shear stress and the nominal viscosity decrease with the increase of temperature, and the temperature effect is coupled with other non-thermal factors. The molecular-level mechanisms are revealed through the study of the radial density profile and hydrogen bonding of confined liquid molecules. The findings are verified qualitatively with an experiment on nanoporous carbon.


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