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.

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.

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.

Inhibition effect of a non-permeating component on gas permeability of nanoporous graphene membranes

2015 ◽  
Vol 17 (36) ◽  
pp. 23619-23626 ◽  
Author(s):  
Boyao Wen ◽  
Chengzhen Sun ◽  
Bofeng Bai
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Gas Permeability ◽  
Inhibition Effect ◽  
Nanoporous Graphene ◽  
Dynamics Simulations ◽  
Graphene Membranes

The inhibition effect of a non-permeating component on gas permeability of nanoporous graphene membranes is identified using molecular dynamics simulations.

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.

Alkane separation using nanoporous graphene membranes

2015 ◽  
Vol 17 (2) ◽  
pp. 1018-1024 ◽  
Author(s):  
Krzysztof Nieszporek ◽  
Mateusz Drach
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Nanoporous Graphene ◽  
Dynamics Simulations ◽  
Graphene Membranes

The mechanism of alkane permeation across designed graphene nanopores has been studied using molecular dynamics simulations.

The Molecular Dynamics Study for Detection of ssDNA by Monolayer Graphene Nanopore

2013 ◽  
Author(s):  
Wei Si ◽  
Jingjie Sha ◽  
Lei Liu ◽  
Yin Zhang ◽  
Yunfei Chen
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Monolayer Graphene ◽  
Highly Sensitive ◽  
Translocation Time ◽  
Dynamics Simulations ◽  
Graphene Nanopore

Molecular dynamics simulations are performed to provide valuable information about the translocation of four single-stranded DNAs with ten identical bases through graphene nanopore with diameter of 2 nm. The monolayer graphene nanopore is highly sensitive to ssDNA translocation events and the 10-base resolution detection can be realized by electrophoreticly threading ssDNA through graphene nanopore. Due to the similar sizes of the four nucleotides, the blockage current is unlikely to provide a distinguishable signal. However, by simply monitoring and analyzing the translocation time of poly(dA)10, poly(dC)10, poly(dG)10 and poly(dT)10 though graphene pore, each ssDNA can be identified and characterized.

Self-Assembly of Oligo(phenylene-thiophene)s on Monolayer Graphene: Molecular Dynamics Simulations

2018 ◽  
Vol 123 (1) ◽  
pp. 859-867
Author(s):  
Natalia I. Borzdun ◽  
Victor M. Nazarychev ◽  
Sergey V. Larin ◽  
Günter Reiter ◽  
Sergey V. Lyulin
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Self Assembly ◽  
Monolayer Graphene ◽  
Dynamics Simulations
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