Flipping water molecules at insulator/solution interface using an externally applied weak electric field

2014 ◽  
Vol 104 (10) ◽  
pp. 101601 ◽  
Author(s):  
Takahiro Kondo ◽  
Tsuyohito Ito
Keyword(s):  
Electric Field ◽  
Weak Electric Field ◽  
Water Molecules ◽  
Solution Interface

scholarly journals Origin of the enhanced structural and reorientational relaxation rates in the presence of relatively weak dc electric fields

2004 ◽  
Vol 76 (1) ◽  
pp. 215-221 ◽  
Author(s):  
A. Vegiri
Keyword(s):  
Molecular Dynamics ◽  
Electric Field ◽  
Electric Fields ◽  
Structural Relaxation ◽  
Structural Changes ◽  
Common Mechanism ◽  
Weak Electric Field ◽  
Water Molecules ◽  
Relaxation Rates ◽  
Dynamics Simulations

The origin of the dramatic increase of the reorientational and structural relaxation rates of single water molecules in clusters of size N = 16, 32, and 64 at T = 200 K, under the influence of an external, relatively weak electric field (~0.5 107 V/cm) is examined through molecular dynamics simulations. The observed effect is attributed not to any profound structural changes, but to the increase of the size of the molecular cage. The response of water to an electric field in this range shows many similarities with the dynamics of water under low pressure. By referring to simulations and experiments from the literature, we show that in both cases the observed effects are dictated by a common mechanism.

scholarly journals The Impact of the Electric Field on Surface Condensation of Water Vapor: Insight from Molecular Dynamics Simulation

Nanomaterials ◽  
2019 ◽  
Vol 9 (1) ◽  
pp. 64 ◽  
Author(s):  
Qin Wang ◽  
Hui Xie ◽  
Zhiming Hu ◽  
Chao Liu
Keyword(s):  
Molecular Dynamics ◽  
Water Vapor ◽  
Electric Field ◽  
Intermolecular Forces ◽  
Dynamics Simulation ◽  
Water Molecules ◽  
Attraction Force ◽  
Condensation Rate ◽  
Shape Transformation ◽  
The Impact

In this study, molecular dynamics simulations were carried out to study the coupling effect of electric field strength and surface wettability on the condensation process of water vapor. Our results show that an electric field can rotate water molecules upward and restrict condensation. Formed clusters are stretched to become columns above the threshold strength of the field, causing the condensation rate to drop quickly. The enhancement of surface attraction force boosts the rearrangement of water molecules adjacent to the surface and exaggerates the threshold value for shape transformation. In addition, the contact area between clusters and the surface increases with increasing amounts of surface attraction force, which raises the condensation efficiency. Thus, the condensation rate of water vapor on a surface under an electric field is determined by competition between intermolecular forces from the electric field and the surface.

Dislocation scatterings in p-type Si1−xGexunder weak electric field

2015 ◽  
Vol 26 (49) ◽  
pp. 495201 ◽  
Author(s):  
Ji-Hyun Hur ◽  
Sanghun Jeon
Keyword(s):  
Electric Field ◽  
Weak Electric Field ◽  
P Type

scholarly journals Removal of Chromium from Aqueous Solution Using Modified Pomegranate Peel:Mechanistic and Thermodynamic Studies

2009 ◽  
Vol 6 (s1) ◽  
pp. S153-S158 ◽  
Author(s):  
Tariq S. Najim ◽  
Suhad A. Yassin
Keyword(s):  
Activation Energy ◽  
Solid Solution ◽  
Aqueous Solution ◽  
Adsorption Process ◽  
Batch Process ◽  
The Other ◽  
Water Molecules ◽  
Pomegranate Peel ◽  
Solution Interface ◽  
Adsorbent Surface

Modified pomegranate peel (MPGP) and formaldehyde modified pomegranate peel (FMPGP) were prepared and used as adsorbent for removal of Cr(VI) ions from aqueous solution using batch process. The temperature variation study of adsorption on both adsorbents revealed that the adsorption process is endothermic, from the positive values of ∆H˚. These values lie in the range of physisorption. The negative values of ∆G˚ show the adsorption is favorable and spontaneous. On the other hand, these negative values increases with increase in temperature on both adsorbents, which indicate that the adsorption is preferable at higher temperatures. ∆S˚ values showed that the process is accompanied by increase in disorder and randomness at the solid solution interface due to the reorientation of water molecules and Cr(VI) ions around the adsorbent surface. The endothermic nature of the adsorption was also confirmed from the positive values of activation energy, Ea, the low values of Ea confirm the physisorption mechanism of adsorption. The sticking probability, S*, of Cr(VI) ion on surface of both adsorbents showed that the adsorption is preferable due to low values of S*(0< S*< 1 ), but S*values are lower for FMPGP indicating that the adsorption on FMPGP is more preferable .

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 ELECTRO-OPTICAL SWITCHING OF THE MAIN OPTICAL AXIS OF A FERROELECTRIC LIQUID CRYSTAL SPIRAL NANOSTRUCTUREIN A PLANAR-ORIENTED DISPLAY CELL

Doklady BGUIR ◽  
2019 ◽  
pp. 21-27
Author(s):  
E. P. Pozhidaev ◽  
T. P. Tkachenko ◽  
A. V. Kuznetsov ◽  
I. N. Kompanets
Keyword(s):  
Liquid Crystal ◽  
Electric Field ◽  
Optical Switching ◽  
Optical Axis ◽  
Modulation Frequency ◽  
Light Transmittance ◽  
Weak Electric Field ◽  
Ferroelectric Liquid Crystal ◽  
Light Modulation ◽  
Small Pitch

In a known display cell with the nematic liquid crystal (NLC) and interdigital electrodes on one of the glass substrates, the “In-Plane Switching” (IPS) mode is implemented, in which the NLC main optical axis reorients in a plane parallel to substrates, providing the most correct color reproduction at different angles view, up to 178 ° horizontally and vertically. Unfortunately, the creation of interdigital metal electrodes complicates and increases the technological process cost and causes a decrease in image contrast. At the same time, experimental results and calculations based on classical electro-optics of crystals indicate that electrooptical switching in the IPS mode is a natural and intrinsic feature of a conventional (with continuous electrodes) display cell with a planar-oriented layer of the ferroelectric liquid crystal (FLC), in which the effect of the deformed (by the electric field) helix FLC nanostructure is realized (DHF effect). In such a cell, the reorientation of the main optical axis under the influence of a weak electric field also occurs in the substrate plane if the FLC has a small pitch (about 100 nm or less) and a large tilt angle of molecules in the layer (about 38 ° or more). The dependences of the FLC cell light transmittance measured in this work, confirmed the achievement of the IPS electro-optical mode in the DHF FLC cell; moreover, the light modulation frequency was 1 kHz. Thus, while maintaining all the advantages of the IPS mode known in NLC, its implementation in FLC allows additionally obtaining technological advantages and multiple increase in modulation frequency.

scholarly journals Two Types of Oscillations of the Holstein Polaron Uniformly Moving Along a Polynucleotide Chain in a Constant Electric Field

2019 ◽  
Vol 14 (2) ◽  
pp. 477-487
Author(s):  
A.N. Korshunova ◽  
V.D. Lakhno
Keyword(s):  
Electric Field ◽  
Field Intensity ◽  
Electric Field Intensity ◽  
Constant Electric Field ◽  
Weak Electric Field ◽  
Uniform Motion ◽  
Main Task ◽  
Charge Motion ◽  
Bloch Oscillations ◽  
One Dimensional

In connection with the development of molecular nanobioelectronics, the main task of which is the construction of electronic devices based on biological molecules, the problems of charge transfer in such extended molecules as DNA are of increasing interest. The relevance of studying the charges motion in one-dimensional molecular chains is primarily associated with the possibility of using these chains as wires in nanoelectronic devices. Current carriers in one-dimensional chains are self-trapped electronic states, which have the form of polaron formations. In this paper we investigate the motion of the Holstein polaron in the process of its uniform motion along the chain in a constant electric field. It is known that during uniform motion along the chain in a weak electric field, the polaron experiences small oscillations of its shape. These oscillations are associated with the discreteness of the chain and are due to the presence of the Peierls-Nabarro potential in the discrete chain. Previous investigations have shown that for certain parameters of the chain, there is the possibility of uniform charge motion in a constant electric field over very large distances. The charge motion with a constant velocity is possible for small values of the electric field intensity. With an increase in the electric field intensity, the charge goes into an oscillatory regime of motion with Bloch oscillations. The calculations performed in this work showed that the elements of Bloch oscillations also appear during stationary motion of the polaron along the chain. Thus, it is shown that the Holstein polaron, uniformly moving along the chain in a constant electric field, experiences not only Peierls-Nabarro oscillations, but also low-amplitude oscillations with a Bloch period.

scholarly journals The Variation of Factor of Enhancement in Nucleation Rate with Electric Field for Water Vapour and Ice

2020 ◽  
Vol 10 (2) ◽  
pp. 221-223
Keyword(s):  
Electric Field ◽  
Water Vapour ◽  
Electric Fields ◽  
Nucleation Rate ◽  
Water Molecules ◽  
Saturation Ratio

the nucleation rate is the parameter to judge the effect of electric field on nucleation of water vapour and ice glaciation. In the presence of electric field the total nucleation is the sum of nucleation due to electric field and nucleation due to diffusion of water molecules. Thus we can say the nucleation rate is enhanced by the factor of RE. This is known as factor of enhancement in nucleation rate. In the present work we will calculate the factor of enhancement in nucleation rate for water vapour and ice on temperature 268 K at different electric fields as a function of super saturation ratio.

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