Temperature dependence of fluid transport in nanopores

Baoxing XU; Binglei WANG; Taehyo PARK; Yu QIAO; Qulan ZHOU; Xi CHEN

doi:10.1063/1.4712034

Temperature dependence of fluid transport in nanopores

Baoxing XU, Binglei WANG, Taehyo PARK, Yu QIAO, Qulan ZHOU, Xi CHEN

Research output: Journal Publications › Journal Article (refereed) › peer-review

33 Citations (Scopus)

Abstract

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. © 2012 American Institute of Physics.

Original language	English
Article number	184701
Journal	Journal of Chemical Physics
Volume	136
Issue number	18
DOIs	https://doi.org/10.1063/1.4712034
Publication status	Published - 8 May 2012
Externally published	Yes

Bibliographical note

The work was supported by the World Class University program through the National Research Foundation of Korea (Grant No. R32-2008-000-20042-0). Xi Chen acknowledges supports from Changjiang Scholar Program from the Ministry of Education of China, Defense Advanced Research Projects Agency (Grant No. W91CRB-11-C-0112), National Science Foundation (Grant No. CMMI-0643726), National Natural Science Foundation of China (Grant No. 11172231), and International Joint Research Project sponsored by Tsinghua University (Grant No. 20121080050).

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abstract = "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. {\textcopyright} 2012 American Institute of Physics.",

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note = "The work was supported by the World Class University program through the National Research Foundation of Korea (Grant No. R32-2008-000-20042-0). Xi Chen acknowledges supports from Changjiang Scholar Program from the Ministry of Education of China, Defense Advanced Research Projects Agency (Grant No. W91CRB-11-C-0112), National Science Foundation (Grant No. CMMI-0643726), National Natural Science Foundation of China (Grant No. 11172231), and International Joint Research Project sponsored by Tsinghua University (Grant No. 20121080050).",

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AU - WANG, Binglei

AU - PARK, Taehyo

AU - QIAO, Yu

AU - ZHOU, Qulan

AU - CHEN, Xi

N1 - The work was supported by the World Class University program through the National Research Foundation of Korea (Grant No. R32-2008-000-20042-0). Xi Chen acknowledges supports from Changjiang Scholar Program from the Ministry of Education of China, Defense Advanced Research Projects Agency (Grant No. W91CRB-11-C-0112), National Science Foundation (Grant No. CMMI-0643726), National Natural Science Foundation of China (Grant No. 11172231), and International Joint Research Project sponsored by Tsinghua University (Grant No. 20121080050).

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N2 - 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. © 2012 American Institute of Physics.

AB - 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. © 2012 American Institute of Physics.

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JO - Journal of Chemical Physics

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Temperature dependence of fluid transport in nanopores

Abstract

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