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.

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 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.

Influences of electric fields on the operation of Aqy1 aquaporin channels: a molecular dynamics study

2020 ◽  
Vol 22 (44) ◽  
pp. 25859-25868
Author(s):  
Z. Rahimi ◽  
A. Lohrasebi
Keyword(s):  
Molecular Dynamics ◽  
Electric Field ◽  
External Electric Field ◽  
Electric Fields ◽  
Md Simulation ◽  
Simulation Method ◽  
Water Molecules ◽  
Aquaporin Channels

The effects of application of external electric field on the dynamics of water molecules inside an Aquaporin channel, embedded within a stochastically fluctuating membrane, was modeled by means of the application of the molecular dynamics (MD) simulation method.

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.

Modeling the Effect of External Electric Fields on the Dynamics of a Confined Water Nano-Droplet

2021 ◽  
Vol 67 ◽  
pp. 89-96
Author(s):  
Mahboubeh Kargar ◽  
Amir Lohrasebi
Keyword(s):  
Molecular Dynamics ◽  
Electric Field ◽  
External Electric Field ◽  
Electric Fields ◽  
Water Droplet ◽  
Water Molecules ◽  
Confined Water ◽  
External Electric Fields ◽  
Water Filters ◽  
Dynamics Method

The effects of the application of constant electric fields on the dynamics of a confined water droplet between two different surfaces are investigated, by using a molecular dynamics method. It is found that the water molecules responded to the electric field, which partially depends on the wettability of the different surfaces. The results reveal that the application of external electric fields causes to create extra pressure on the surfaces, which are theoretically justified. The induced pressure could be experienced by multilayer nano-filters, which are used in desalination processes, with the aid of an external electric field, and may reduce the water filters shelf life.

scholarly journals The mobility of alkali ions in gases, I. The attachment of water molecules to alkali ions in gases

1939 ◽  
Vol 172 (948) ◽  
pp. 28-42 ◽  
Keyword(s):  
Electric Field ◽  
Water Vapour ◽  
Room Temperature ◽  
Inert Gases ◽  
Water Molecules ◽  
Alkali Ions ◽  
Positive Ions ◽  
Positive Ion

Measurements of the mobility of gaseous ions carried out in the Wills Laboratory at Bristol have shown that a positive ion which at birth is a charged atom or molecule remains in its monomolecular state when the gas is pure. The relation between the mass of the ion and its mobility has been determined in a number of gases. In the presence of polar impurities each ion collects a cluster of molecules of impurity, so that it moves more slowly in an electric field. The purpose of this paper is to describe experiments made to study the formation of the clusters and the number of molecules they contain. Early experimenters measured the mobility of clustered ions, but thenvalues cannot be used for this purpose because the nature and concentration of the impurities present were unknown and uncontrollable. The only way of studying the problem is to use an apparatus made entirely of glass and metal, cleaned by a “ bake out ” and with tap grease and other contamination excluded. Controlled amounts of a known polar impurity can then be added to the pure gas. The experiments here described have been made at room temperature on the alkali positive ions in the inert gases with water vapour as the polar impurity.

Electro-wetting of a nanoscale water droplet on a polar solid surface in electric fields

2018 ◽  
Vol 20 (17) ◽  
pp. 11987-11993 ◽  
Author(s):  
Fenhong Song ◽  
Long Ma ◽  
Jing Fan ◽  
Qicheng Chen ◽  
Guangping Lei ◽  
...  
Keyword(s):  
Electric Field ◽  
Electric Fields ◽  
Solid Surface ◽  
Water Droplet ◽  
Water Molecules ◽  
Polar Surface ◽  
Electro Wetting

Water molecules interact with a polar surface in an electric field to realign their point dipoles, which determine the spreading behaviors of the droplets.

Molecular dynamics simulations of electric field induced water flow inside a carbon nanotorus: a molecular cyclotron

2017 ◽  
Vol 19 (19) ◽  
pp. 12384-12393 ◽  
Author(s):  
Hassan Sabzyan ◽  
Maryam Kowsar
Keyword(s):  
Molecular Dynamics ◽  
Electric Field ◽  
Molecular Dynamics Simulations ◽  
Water Flow ◽  
Electric Fields ◽  
Water Molecules ◽  
Dynamics Simulations

A nano-flow is induced by applying gigahertz rotating electric fields (EFs) of different strengths and frequencies on a carbon nanotorus filled with water molecules, using molecular dynamics simulations.

Tuning the Electric Field Response of MOFs by Rotatable Dipolar Linkers

2019 ◽  
Author(s):  
Johannes P. Dürholt ◽  
Babak Farhadi Jahromi ◽  
Rochus Schmid
Keyword(s):  
Electric Field ◽  
Electric Fields ◽  
Structural Changes ◽  
Dielectric Behavior ◽  
Two Dimensions ◽  
Dielectric Constants ◽  
Electric Response ◽  
Dipole Strength ◽  
Metal Organic ◽  
Dynamics Simulations

Recently the possibility of using electric fields as a further stimulus to trigger structural changes in metal-organic frameworks (MOFs) has been investigated. In general, rotatable groups or other types of mechanical motion can be driven by electric fields. In this study we demonstrate how the electric response of MOFs can be tuned by adding rotatable dipolar linkers, generating a material that exhibits paralectric behavior in two dimensions and dielectric behavior in one dimension. The suitability of four different methods to compute the relative permittivity κ by means of molecular dynamics simulations was validated. The dependency of the permittivity on temperature T and dipole strength μ was determined. It was found that the herein investigated systems exhibit a high degree of tunability and substantially larger dielectric constants as expected for MOFs in general. The temperature dependency of κ obeys the Curie-Weiss law. In addition, the influence of dipolar linkers on the electric field induced breathing behavior was investigated. With increasing dipole moment, lower field strength are required to trigger the contraction. These investigations set the stage for an application of such systems as dielectric sensors, order-disorder ferroelectrics or any scenario where movable dipolar fragments respond to external electric fields.

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.

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