The flow state analysis of water confined in slit pore by molecular dynamics simulations

DOI

10.2991/iccte-16.2016.222How to use a DOI?

Keywords

Confined water, Laminar flow, Boundary layer, Slip, Molecular dynamics simulations.

Abstract

Space size plays an important role in the properties of confined water. This study aimed to investigate the flow behavior of water confined in a slit pore. Molecular dynamics simulations were acted to analyze the confined water molecules in slit pore. Pressing the plates to form the confined condition and then moving the two plates to opposite directions, the confined water molecules were made in a directed flowing. The flow velocity of the water molecules was then analyzed at the nanoscale. Two crystal silicon surfaces were used to play as the slit pore model. The interaction strength between Si atom and water oxygen atom is lead to the flow behavior. Simulation results show that for the studied case, there is the laminar flow behavior of confined water and at the molecular level boundary slip condition does hold. Moreover, simulation results demonstrate that water molecules confined in the slit are layered and water molecules partially regularly arranged in every layer.

Copyright

© 2016, the Authors. Published by Atlantis Press.

Open Access

This is an open access article distributed under the CC BY-NC license (http://creativecommons.org/licenses/by-nc/4.0/).

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TY  - CONF
AU  - Yao Wang
AU  - Liqin Huang
PY  - 2016/01
DA  - 2016/01
TI  - The flow state analysis of water confined in slit pore by molecular dynamics simulations
BT  - Proceedings of the 2016 International Conference on Civil, Transportation and Environment
PB  - Atlantis Press
SP  - 1267
EP  - 1272
SN  - 2352-5401
UR  - https://doi.org/10.2991/iccte-16.2016.222
DO  - 10.2991/iccte-16.2016.222
ID  - Wang2016/01
ER  -