Structures of water molecules in carbon nanotubes under electric fields

2015 ◽  
Vol 142 (12) ◽  
pp. 124701 ◽  
Author(s):  
Winarto ◽  
Daisuke Takaiwa ◽  
Eiji Yamamoto ◽  
Kenji Yasuoka
Keyword(s):  
Carbon Nanotubes ◽  
Electric Fields ◽  
Water Molecules

scholarly journals Separation of water–ethanol solutions with carbon nanotubes and electric fields

2016 ◽  
Vol 18 (48) ◽  
pp. 33310-33319 ◽  
Author(s):  
Winarto Winarto ◽  
Daisuke Takaiwa ◽  
Eiji Yamamoto ◽  
Kenji Yasuoka
Keyword(s):  
Carbon Nanotubes ◽  
Electric Field ◽  
Electric Fields ◽  
Electrostatic Interactions ◽  
Water Molecules ◽  
Ordered Structure

Under an electric field, water prefers to fill CNTs over ethanol, and electrostatic interactions within the ordered structure of the water molecules determine the separation effects.

Structure, dynamics, and morphology of nanostructured water confined between parallel graphene surfaces and in carbon nanotubes by applying magnetic and electric fields

Soft Matter ◽  
2021 ◽  
Author(s):  
Mohsen Abbaspour ◽  
Hamed Akbarzadeh ◽  
Sirous Salemi ◽  
Leila Bahmanipour
Keyword(s):  
Carbon Nanotubes ◽  
Electric Fields ◽  
Three Dimensions ◽  
Water Molecules ◽  
Confined Water ◽  
Structure Dynamics

Applying the electric fields at all three dimensions disappeared the pentagonal shape and the confined water molecules formed a circle shape when the Ex was applied (direction of the CNT length).

Structures of Water Molecules in Carbon Nanotubes Induced with Electric Fields and its Application for Water-Methanol Separation

2016 ◽  
Vol 842 ◽  
pp. 453-456 ◽  
Author(s):  
Winarto ◽  
Daisuke Takaiwa ◽  
Eiji Yamamoto ◽  
Kenji Yasuoka
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Electric Field ◽  
Electric Fields ◽  
Electrostatic Interaction ◽  
Water Molecules ◽  
Ordered Structures ◽  
Separation Effect ◽  
Wide Range ◽  
Dynamics Simulations

Water confined in carbon nanotubes (CNTs) under the influence of an electric field has interesting properties that are potential for nanofluidic-based applications. With molecular dynamics simulations, this work shows that the electric field induces formation of ordered structures of water molecules in the CNTs. Formation of the ordered structures strengthens the electrostatic interaction between the water molecules. As a result, water strongly prefers to fill CNTs over methanol and it produces a separation effect. Interestingly, the separation effect with the electric field does not decrease for a wide range of CNT diameter.

scholarly journals Water-Tree Resistant Characteristics of Crosslinker-Modified-SiO2/XLPE Nanocomposites

Materials ◽  
2021 ◽  
Vol 14 (6) ◽  
pp. 1398
Author(s):  
Yong-Qi Zhang ◽  
Xuan Wang ◽  
Ping-Lan Yu ◽  
Wei-Feng Sun
Keyword(s):  
Electric Fields ◽  
Tree Growth ◽  
Mechanical Analysis ◽  
Water Molecules ◽  
Crosslinking Degree ◽  
Water Tree ◽  
Tree Resistance ◽  
Alternating Electric Fields ◽  
Trimethylolpropane Triacrylate ◽  
Mechanical Performances

Trimethylolpropane triacrylate (TMPTA) as a photoactive crosslinker is grafted onto hydrophobic nanosilica surface through click chemical reactions of mercapto double bonds to prepare the functionalized nanoparticles (TMPTA-s-SiO2), which are used to develop TMPTA-s-SiO2/XLPE nanocomposites with improvements in mechanical strength and electrical resistance. The expedited aging experiments of water-tree growth are performed with a water-knife electrode and analyzed in consistence with the mechanical performances evaluated by means of dynamic thermo-mechanical analysis (DMA) and tensile stress–strain characteristics. Due to the dense cross-linking network of polyethylene molecular chains formed on the TMPTA-modified surfaces of SiO2 nanofillers, TMPTA-s-SiO2 nanofillers are chemically introduced into XLPE matrix to acquire higher crosslinking degree and connection strength in the amorphous regions between polyethylene lamellae, accounting for the higher water-tree resistance and ameliorated mechanical performances, compared with pure XLPE and neat-SiO2/XLPE nanocomposite. Hydrophilic TMPTA molecules grafted on the nano-SiO2 surface can inhibit the condensation of water molecules into water micro-beads at insulation defects, thus attenuating the damage of water micro-beads to polyethylene configurations under alternating electric fields and thus restricting water-tree growth in amorphous regions. The intensified interfaces between TMPTA-s-SiO2 nanofillers and XLPE matrix limit the segment motions of polyethylene molecular chains and resist the diffusion of water molecules in XLPE amorphous regions, which further contributes to the excellent water-tree resistance of TMPTA-s-SiO2/XLPE nanocomposites.

Electron-Phonon Interaction and Joule Heating in Nanostructures

2008 ◽  
Author(s):  
Eric Pop
Keyword(s):  
Carbon Nanotubes ◽  
Electric Fields ◽  
Joule Heating ◽  
Optical Phonon ◽  
Phonon Transport ◽  
Phonon Energy ◽  
Strained Silicon ◽  
Vibrational Modes ◽  
Optical Phonons ◽  
Ambient Gas

The electron-phonon energy dissipation bottleneck is examined in silicon and carbon nanoscale devices. Monte Carlo simulations of Joule heating are used to investigate the spectrum of phonon emission in bulk and strained silicon. The generated phonon distributions are highly non-uniform in energy and momentum, although they can be approximately grouped into one third acoustic (AC) and two thirds optical phonons (OP) at high electric fields. The phonon dissipation is markedly different in strained silicon at low electric fields, where certain relaxation mechanisms are blocked by scattering selection rules. In very short (∼10 nm) silicon devices, electron and phonon transport is quasi-ballistic, and the heat generation domain is much displaced from the active device region, into the contact electrodes. The electron-phonon bottleneck is more severe in carbon nanotubes, where the optical phonon energy is three times higher than in silicon, and the electron-OP interaction is entirely dominant at high fields. Thus, persistent hot optical phonons are easily generated under Joule heating in single-walled carbon nanotubes suspended between two electrodes, in vacuum. This leads to negative differential conductance at high bias, light emission, and eventual breakdown. Conversely, optical and electrical measurements on such nanotubes can be used to gauge their thermal properties. The hot optical phonon effects appear less pronounced in suspended nanotubes immersed in an ambient gas, suggesting that phonons find relaxation pathways with the vibrational modes of the ambient gas molecules. Finally, hot optical phonons are least pronounced for carbon nanotube devices lying on dielectrics, where the OP modes can couple into the vibrational modes of the substrate. Such measurements and modeling suggest very interesting, non-equilibrium coupling between electrons and phonons in solid-state devices at nanometer length and picoseconds time scales.

scholarly journals Synthetic electric fields and phonon damping in carbon nanotubes and graphene

2009 ◽  
Vol 80 (7) ◽  
Author(s):  
Felix von Oppen ◽  
Francisco Guinea ◽  
Eros Mariani
Keyword(s):  
Carbon Nanotubes ◽  
Electric Fields

Jump Reorientation of Water Molecules Confined in Narrow Carbon Nanotubes

2009 ◽  
Vol 113 (30) ◽  
pp. 10322-10330 ◽  
Author(s):  
Biswaroop Mukherjee ◽  
Prabal K. Maiti ◽  
Chandan Dasgupta ◽  
A. K. Sood
Keyword(s):  
Carbon Nanotubes ◽  
Water Molecules

Hormones Nanofiltration in Carbon Nanotubes and Boron Nitride Nanotubes Using Uniform External Electric Field Through Molecular Dynamics

2021 ◽  
Vol 21 (11) ◽  
pp. 5499-5509
Author(s):  
Rosely Maria dos Santos Cavaleiro ◽  
Tiago da Silva Arouche ◽  
Phelipe Seiichi Martins Tanoue ◽  
Tais Souza Sá Pereira ◽  
Raul Nunes de Carvalho Junior ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Boron Nitride ◽  
Electric Field ◽  
Field Potential ◽  
Boron Nitride Nanotubes ◽  
Attractive Potential ◽  
Water Molecules ◽  
Computer Simulation Study ◽  
Simulation Time

Hormones are a dangerous group of molecules that can cause harm to humans. This study based on classical molecular dynamics proposes the nanofiltration of wastewater contaminated by hormones from a computer simulation study, in which the water and the hormone were filtered in two single-walled nanotube compositions. The calculations were carried out by changing the intensities of the electric field that acted as a force exerting pressure on the filtration along the nanotube, in the simulation time of 100 ps. The hormones studied were estrone, estradiol, estriol, progesterone, ethinylestradiol, diethylbestrol, and levonorgestrel in carbon nanotubes (CNTs) and boron nitride (BNNTs). The most efficient nanofiltrations were for fields with low intensities in the order of 10-8 au and 10-7 au. The studied nanotubes can be used in membranes for nanofiltration in water treatment plants due to the evanescent field potential caused by the action of the electric field inside. Our data showed that the action of EF in conjunction with the van der Walls forces of the nanotubes is sufficient to generate the attractive potential. Evaluating the transport of water molecules in CNTs and BNNTs, under the influence of the electric field, a sequence of simulations with the same boundary conditions was carried out, seeking to know the percentage of water molecules filtered in the nanotubes.

scholarly journals Optical properties of carbon nanotubes under external electric fields

2006 ◽  
Vol 36 (2a) ◽  
pp. 440-442 ◽  
Author(s):  
M. Pacheco ◽  
Z. Barticevic ◽  
A. Latgé ◽  
C. G. Rocha
Keyword(s):  
Carbon Nanotubes ◽  
Optical Properties ◽  
Electric Fields ◽  
External Electric Fields
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