scholarly journals Effects of slit width on water permeation through graphene membrane by molecular dynamics simulations

2018 ◽  
Vol 8 (1) ◽  
Author(s):  
Taro Yamada ◽  
Ryosuke Matsuzaki
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Slit Width ◽  
Water Permeation ◽  
Graphene Membrane ◽  
Dynamics Simulations

Breakdown of continuum model for water transport and desalination through ultrathin graphene nanopores: insights from molecular dynamics simulations

2019 ◽  
Vol 21 (38) ◽  
pp. 21389-21406 ◽  
Author(s):  
Pooja Sahu ◽  
Sk. Musharaf Ali
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Water Transport ◽  
Continuum Model ◽  
Water Desalination ◽  
Multilayer Graphene ◽  
Salty Water ◽  
Graphene Membrane ◽  
Dynamics Simulations ◽  
Pressure Driven Flow

In the quest for identifying a graphene membrane for efficient water desalination, molecular dynamics simulations were performed for the pressure-driven flow of salty water across a multilayer graphene membrane.

scholarly journals Insight into the Mechanism of Water Permeation through the Sodium-Galactose Transporter vSGLT from Long Molecular Dynamics Simulations

2014 ◽  
Vol 106 (2) ◽  
pp. 365a
Author(s):  
Joshua L. Adelman ◽  
Ying Sheng ◽  
Seungho Choe ◽  
Jeff Abramson ◽  
Ernest M. Wright ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Water Permeation ◽  
Dynamics Simulations ◽  
Insight Into

Detecting DNA Using a Single Graphene Pore by Molecular Dynamics Simulations

2012 ◽  
Vol 503 ◽  
pp. 423-426 ◽  
Author(s):  
Wei Si ◽  
Jing Jie Sha ◽  
Lei Liu ◽  
Jia Peng Li ◽  
Xiao Long Wei ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Dna Sequencing ◽  
Molecular Dynamics Simulations ◽  
Electrical Field ◽  
Graphene Membrane ◽  
Pass Through ◽  
Dynamics Simulations

DNA charged negatively could be transported through a solid nanopore by the force of an electrical field. Recently, the nice properties of graphene attract a lot of researchers. In this paper, A single graphene membrane was punched to form a nanopore and a ds-DNA was driven to pass through the pore by all-atom molecular dynamics simulations. The single graphene membrane was demonstrated useful in DNA sequencing. It suggested that the velocity of DNA translocating through a single graphene pore could be controlled by adjusting the appropriate voltage and the diameter of the nanopore.

Exploring fast water permeation through aquaporin-mimicking membranes

2020 ◽  
Vol 22 (3) ◽  
pp. 1333-1348 ◽  
Author(s):  
Majid Shahbabaei ◽  
Daejoong Kim
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Water Transport ◽  
Multilayer Graphene ◽  
Tubular Structures ◽  
Water Permeation ◽  
Dynamics Simulations

Using molecular dynamics simulations, herein, we illustrate that a bending structure shows different behaviors for fast water transport through aquaporin-mimicking membranes in multilayer graphene and tubular structures.

A controllable water transfer rate across a tandem carbon nanotube

2019 ◽  
Vol 33 (27) ◽  
pp. 1950324
Author(s):  
Xianwen Meng ◽  
Yuan Li ◽  
Ling Shen
Keyword(s):  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Molecular Dynamics Simulations ◽  
Transfer Rate ◽  
Water Transfer ◽  
Water Permeation ◽  
Interior Methods ◽  
Dynamics Simulations ◽  
Carbon Based

Water permeation across a carbon nanotube is important in carbon-based nanodevices. Water transfer rate is closely related to the radius of a carbon nanotube. It is hard to change water transfer rate by interior methods once the radius of the entrance of a carbon nanotube is chosen. In this paper, water transfer across a tandem carbon nanotube with a separation is investigated by molecular dynamics simulations. We find that water transfer rate experiences two different transfer behaviors: an increasing behavior and a decreasing behavior by changing the separation length. The result is important in designing a controllable carbon-based nanodevice.

Influence of nanopore density on ethylene/acetylene separation by monolayer graphene

2019 ◽  
Vol 21 (11) ◽  
pp. 6126-6132 ◽  
Author(s):  
Bo Jin ◽  
Xin Zhang ◽  
Fei Li ◽  
Ning Zhang ◽  
Zewen Zong ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Monolayer Graphene ◽  
Separation Performance ◽  
Permeation Flux ◽  
Graphene Membrane ◽  
Nanoporous Graphene ◽  
Dynamics Simulations

We designed a monolayer nanoporous graphene membrane and revealed the influence of nanopore density on its ethylene/acetylene separation performance by employing molecular dynamics simulations. Our results indicate that an optimal nanopore density exists for permeation flux and selectivity.

Molecular Dynamics Simulations of Water Permeation across Nafion Membrane Interfaces

2014 ◽  
Vol 118 (29) ◽  
pp. 8798-8807 ◽  
Author(s):  
Kevin B. Daly ◽  
Jay B. Benziger ◽  
Athanassios Z. Panagiotopoulos ◽  
Pablo G. Debenedetti
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Nafion Membrane ◽  
Water Permeation ◽  
Membrane Interfaces ◽  
Dynamics Simulations

scholarly journals Entropic selectivity in air separation via a bilayer nanoporous graphene membrane

2019 ◽  
Vol 21 (29) ◽  
pp. 16310-16315 ◽  
Author(s):  
Song Wang ◽  
Sheng Dai ◽  
De-en Jiang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Pore Size ◽  
Oxygen Molecule ◽  
Air Separation ◽  
Pore Shape ◽  
Graphene Membrane ◽  
Nanoporous Graphene ◽  
Tumbling Motion ◽  
Dynamics Simulations

Molecular dynamics simulations show that controlling the pore size and the pore shape via the bilayer nanoporous graphene membrane provides a novel way to enhance entropic selectivity for air separation via tumbling motion of the oxygen molecule.

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