Next Article in Journal
Dependence of Sediment Suspension Viscosity on Solid Concentration: A Simple General Equation
Next Article in Special Issue
The Effect of a Spiral Gradient Magnetic Field on the Ionic Conductivity of Water
Previous Article in Journal
Early Warning and Forecasting System of Water Quality Safety for Drinking Water Source Areas in Three Gorges Reservoir Area, China
Previous Article in Special Issue
Addendum: Montagnier, L.; Aïssa, J.; Capolupo, A.; Craddock, T.J.A.; Kurian, P.; Lavallee, C.; Polcari, A.; Romano, P.; Tedeschi, A.; Vitiello, G. Water Bridging Dynamics of Polymerase Chain Reaction in the Gauge Theory Paradigm of Quantum Fields. Water 2017, 9, 339
Article Menu
Issue 7 (July) cover image

Export Article

Open AccessArticle
Water 2017, 9(7), 473; https://doi.org/10.3390/w9070473

Water Molecules in a Carbon Nanotube under an Applied Electric Field at Various Temperatures and Pressures

1
Department of Mechanical Engineering, Faculty of Engineering, Brawijaya University, Jl. MT Haryono 167, Malang 65145, Indonesia
2
Graduate School of Science and Technology, Keio University, 3-14-1 Hiyoshi, Kohoku-ku, Yokohama 223-8522, Japan
3
Department of Mechanical Engineering, Keio University, 3-14-1 Hiyoshi, Kohoku-ku, Yokohama 223-8522, Japan
*
Author to whom correspondence should be addressed.
Received: 28 February 2017 / Revised: 9 June 2017 / Accepted: 23 June 2017 / Published: 28 June 2017
(This article belongs to the Special Issue Electrohydrodynamic Liquid Bridges and Electrified Water)
Full-Text   |   PDF [3512 KB, uploaded 28 June 2017]   |  

Abstract

Water confined in carbon nanotubes (CNTs) under the influence of an electric field exhibits behavior different to that of bulk water. Such behavior is fascinating from a nanoscience point of view and has potential application in nanotechnology. Using molecular dynamics simulations, we investigate the structure of water molecules in an ( 8 , 8 ) CNT, under an electric field at various temperatures and pressures. In the absence of an electric field, water in the CNT has an ordered (solid-like) structure at temperatures of 200 K and 250 K. The solid-like structure of water at these low temperatures exhibits ferroelectric properties. At 300 K, the structure of water is solid-like or disordered (liquid-like), i.e., an unstable structure. This indicates that a melting point occurs at around these conditions. Increasing the pressure to 10 MPa does not change the structure at 300 K. At 350 K, water is completely melted and has only a disordered structure. Under an applied electric field of 1 V/nm, water forms a solid-like structure at all simulation temperatures up to 350 K. This suggests that the electric field induces a phase transition from liquid to ice-nanotube, at temperatures as high as 350 K. The structure of the ice-nanotube under an applied electric field differs from that formed in the absence of an electric field at low temperature. The electrostatic interaction within the ice-nanotube under an electric field is stronger than that in the absence of an electric field. View Full-Text
Keywords: carbon nanotube; water molecule structure; electric field; molecular dynamics simulation carbon nanotube; water molecule structure; electric field; molecular dynamics simulation
Figures

Figure 1

This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

Supplementary material

SciFeed

Share & Cite This Article

MDPI and ACS Style

Winarto; Yamamoto, E.; Yasuoka, K. Water Molecules in a Carbon Nanotube under an Applied Electric Field at Various Temperatures and Pressures. Water 2017, 9, 473.

Show more citation formats Show less citations formats

Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Related Articles

Article Metrics

Article Access Statistics

1

Comments

[Return to top]
Water EISSN 2073-4441 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert
Back to Top