Formation and migration of H3O+ and OH− ions at the water/silica and water/vapor interfaces under the influence of a static electric field: a molecular dynamics study

2020 ◽  
Vol 22 (39) ◽  
pp. 22537-22548
Author(s):  
Jesse Lentz ◽  
Stephen H. Garofalini
Keyword(s):  
Molecular Dynamics ◽  
Water Vapor ◽  
Electric Field ◽  
Glass Surface ◽  
Water Migration ◽  
Static Electric Field ◽  
Water Layers ◽  
And Migration

Water ‘layers’ 1 and 2 in pink; ‘layer’ 3 in blue and green over portion of glass surface (grey). +90° field causes water migration and clustering.

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.

Fabrication and Formation Mechanism of Electrospun Spatially Defined Fibrous Patterning Structures on Conductive and Insulating Substrates

2014 ◽  
Vol 609-610 ◽  
pp. 842-848 ◽  
Author(s):  
Shu Liang Liu ◽  
Guang Hui Sun ◽  
Yuan Yuan Huang ◽  
Bin Sun ◽  
Hong Di Zhang ◽  
...  
Keyword(s):  
Tissue Engineering ◽  
Cell Adhesion ◽  
Electric Field ◽  
Formation Mechanism ◽  
Scientific Understanding ◽  
Patterned Substrates ◽  
Static Electric Field ◽  
Nylon Fabric ◽  
And Migration ◽  
Proliferation And Migration

Besides the conductive patterning substrate, spatially well-defined microfibrous architectures can also be electrospun by using an insulating topographically structured collector (e.g.a nylon fabric). In both cases, it is proposed that the formation of the electrospun microfibrous patterns can be ascribed to the re-distribution of static electric field whenever collectors with different topography are introduced. Moreover, a series of simulation of the static electric field for various collectors (e.g.flat Al foil, conductive and insulating patterned substrates) have been systematically made to illustrate the formation mechanism, respectively. Our results are considered to warrant further scientific understanding on the formation of electrospun microfibrous patterning constructs, and helpful for easy generation of spatially defined architectures which have applications in a variety of areas such as tissue engineering, cell adhesion, proliferation and migration,etc.

Behaviors of NaCl Ions Intruding into Methane Hydrate under a Static Electric Field

2021 ◽  
Vol 125 (33) ◽  
pp. 18483-18493
Author(s):  
Kehan Li ◽  
Bingbing Chen ◽  
Mingjun Yang ◽  
Yongchen Song ◽  
Lanlan Jiang
Keyword(s):  
Electric Field ◽  
Methane Hydrate ◽  
Static Electric Field

scholarly journals Origin and control of ionic hydration patterns in nanopores

2021 ◽  
Vol 2 (1) ◽  
Author(s):  
Miraslau L. Barabash ◽  
William A. T. Gibby ◽  
Carlo Guardiani ◽  
Alex Smolyanitsky ◽  
Dmitry G. Luchinsky ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Distribution Functions ◽  
Water Molecules ◽  
Surrounding Water ◽  
Ionic Hydration ◽  
Hydration Shells ◽  
Water Layers ◽  
Dynamics Simulations ◽  
And Control

AbstractIn order to permeate a nanopore, an ion must overcome a dehydration energy barrier caused by the redistribution of surrounding water molecules. The redistribution is inhomogeneous, anisotropic and strongly position-dependent, resulting in complex patterns that are routinely observed in molecular dynamics simulations. Here, we study the physical origin of these patterns and of how they can be predicted and controlled. We introduce an analytic model able to predict the patterns in a graphene nanopore in terms of experimentally accessible radial distribution functions, giving results that agree well with molecular dynamics simulations. The patterns are attributable to a complex interplay of ionic hydration shells with water layers adjacent to the graphene membrane and with the hydration cloud of the nanopore rim atoms, and we discuss ways of controlling them. Our findings pave the way to designing required transport properties into nanoionic devices by optimising the structure of the hydration patterns.

A memory nanodevice based on Zn-MOF-74: a molecular dynamics study

2020 ◽  
Vol 8 (5) ◽  
pp. 1567-1570 ◽  
Author(s):  
Mikhail Suyetin ◽  
Thomas Heine
Keyword(s):  
Molecular Dynamics ◽  
Electric Field ◽  
Memory Element ◽  
Switching Speed ◽  
High Switching Speed ◽  
Element Density

C60−@Zn-MOF-74 operated by an electric field exhibits a combined high switching speed of 27 GB s−1 and a high memory element density of 106 Tb per inch2.

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