Exploration of nanoporous graphene membranes for the separation of N2 from CO2: a multi-scale computational study

2016 ◽  
Vol 18 (12) ◽  
pp. 8352-8358 ◽  
Author(s):  
Yong Wang ◽  
Qingyuan Yang ◽  
Jinping Li ◽  
Jiangfeng Yang ◽  
Chongli Zhong
Keyword(s):  
Pore Size ◽  
Crucial Role ◽  
Computational Study ◽  
Multi Scale ◽  
Graphene Membrane ◽  
Nanoporous Graphene ◽  
Graphene Membranes

The graphene membrane, H-pore-13, with its appropriate pore size of 4.06 Å, exhibits high N2 selectivity over CO2 with a N2 permeance of 105 GPU. It is further revealed that electrostatic sieving plays a crucial role in hindering the passage of CO2 molecules through H-pore-13.

Selective Nanopores in Graphene Sheet for Separation I-129 Isotope from Air

2017 ◽  
Vol 6 (1) ◽  
pp. 10-17 ◽  
Author(s):  
Seyyed Mahmood Fatemi ◽  
Hamid Sepehrian ◽  
Masoud Arabieh
Keyword(s):  
Molecular Dynamic Simulation ◽  
Pore Size ◽  
Gas Separation ◽  
Dynamic Simulation ◽  
Separation Process ◽  
Atomic Gases ◽  
Key Factors ◽  
Graphene Membrane ◽  
Proper Size ◽  
Nanoporous Graphene

Molecular dynamic simulation was used to investigate the ability of nanoporous graphene membrane in gas separation process. Three di-atomic gases (I2, N2 and O2) were considered, in which different pore sizes were modeled on graphene. The structure contains an impermeable movable wall (piston) to push the mixture gases toward the nanoporous graphene membrane. Two different simulations were carried out, with two different piston velocities. Two key factors in gases separation process are the pore size of graphene and the velocity of movable wall. The results revealed that I-129 separation was improved by using proper size of pore and by decreasing the velocity of movable wall. It was also found that the I-129 gas radionuclides could be completely separated from nitrogen and oxygen molecules in the pore-12 graphene configuration. It was also found that nitrogen was more strongly adsorbed onto the membrane than oxygen, while I-129 was not adsorbed.

scholarly journals High-permeance polymer-functionalized single-layer graphene membranes that surpass the postcombustion carbon capture target

2019 ◽  
Vol 12 (11) ◽  
pp. 3305-3312 ◽  
Author(s):  
Guangwei He ◽  
Shiqi Huang ◽  
Luis Francisco Villalobos ◽  
Jing Zhao ◽  
Mounir Mensi ◽  
...  
Keyword(s):  
Carbon Capture ◽  
Single Layer ◽  
Single Layer Graphene ◽  
Layer Graphene ◽  
Graphene Membrane ◽  
Nanoporous Graphene ◽  
Graphene Membranes

A single-layer nanoporous graphene membrane functionalized with CO2-phillic polymers shows extremely fast, selective CO2 transport.

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.

Water and Solute Transport Governed by Tunable Pore Size Distributions in Nanoporous Graphene Membranes

ACS Nano ◽  
2017 ◽  
Vol 11 (10) ◽  
pp. 10042-10052 ◽  
Author(s):  
Doojoon Jang ◽  
Juan-Carlos Idrobo ◽  
Tahar Laoui ◽  
Rohit Karnik
Keyword(s):  
Solute Transport ◽  
Pore Size ◽  
Size Distributions ◽  
Pore Size Distributions ◽  
Nanoporous Graphene ◽  
Water And Solute Transport ◽  
Graphene Membranes

Separation of Water Vapor From Methane by Nanoporous Graphene Membrane

2016 ◽  
Author(s):  
Chengzhen Sun ◽  
Bofeng Bai
Keyword(s):  
High Selectivity ◽  
Separation Process ◽  
Equilibrium System ◽  
Graphene Membrane ◽  
Separation Membranes ◽  
Gas Separation Membranes ◽  
Natural Gas Dehydration ◽  
Nanoporous Graphene ◽  
Dynamics Simulations ◽  
Graphene Membranes

We study the separation process of gaseous H2O/CH4 mixtures using nanoporous graphene membranes via molecular dynamics simulations. We run the simulation in an equilibrium system 10 times with different initial atomic velocities to overcome the inefficiency brought by the low pressure of the system. The results show that the H2O molecules can permeate the graphene membrane with a linearly time-dependent crossing number. The permeance of the H2O molecules reaches to 9.5×10−4 mol/m2sPa, far exceeding that of the polymer gas separation membranes. High selectivity of H2O over CH4 is also observed. In summary, this study demonstrates that the specific NPG cloud be adopted as an efficient membrane in natural gas dehydration.

Enhanced water permeation based on nanoporous multilayer graphene membranes: the role of pore size and density

2016 ◽  
Vol 4 (45) ◽  
pp. 17773-17781 ◽  
Author(s):  
Dae Woo Kim ◽  
Junghoon Choi ◽  
Daeok Kim ◽  
Hee-Tae Jung
Keyword(s):  
Pore Size ◽  
Koh Activation ◽  
Multilayer Graphene ◽  
Water Permeation ◽  
Nanoporous Graphene ◽  
Oxidized Graphite ◽  
Graphene Membranes

Nanoporous graphene (size: ca. 3 nm, density: ca. 1015 m−2) can be synthesized in bulk by KOH activation of pre-oxidized graphite.

Ultrahigh‐flux Nanoporous Graphene Membrane for Sustainable Seawater Desalination Using Low‐grade Heat

2022 ◽  
pp. 2109718
Author(s):  
Dongwei Lu ◽  
Zongyao Zhou ◽  
Zhihong Wang ◽  
Duc Tam Ho ◽  
Guan Sheng ◽  
...  
Keyword(s):  
Low Grade ◽  
Seawater Desalination ◽  
Graphene Membrane ◽  
Nanoporous Graphene ◽  
Low Grade Heat

scholarly journals Molecular Dynamics Study on the Reverse Osmosis Using Multilayer Porous Graphene Membranes

Nanomaterials ◽  
2018 ◽  
Vol 8 (10) ◽  
pp. 805 ◽  
Author(s):  
Zhongqiang Zhang ◽  
Fujian Zhang ◽  
Zhen Liu ◽  
Guanggui Cheng ◽  
Xiaodong Wang ◽  
...  
Keyword(s):  
Salt Solution ◽  
Energy Barrier ◽  
Water Flux ◽  
Solution Concentration ◽  
Water Molecules ◽  
Porous Graphene ◽  
Salt Rejection ◽  
Layer Separation ◽  
Graphene Membrane ◽  
Graphene Membranes

In this study, the reverse osmosis (RO) of a salt solution was investigated using a molecular dynamics method to explore the performance of a multilayer porous graphene membrane. The effects of the salt solution concentration, pressure, layer separation and pore offset on the RO performance of the membrane were investigated and the influences of the number of layers and the gradient structure were determined. The results show that as the salt solution concentration increases, the energy barrier of the water molecules passing through the bilayer porous graphene membranes changes slightly, indicating that the effect of the water flux on the membrane can be ignored. The salt rejection performance of the membrane improves with an increase in the concentration of the salt solution. When the pressure is increased, the energy barrier decreases, the water flux increases and the salt rejection decreases. When the layer separation of the bilayer porous graphene membrane is the same as the equilibrium spacing of the graphene membrane, the energy barrier is the lowest and the membrane water flux is the largest. The energy barrier of the bilayer porous graphene membrane increases with increasing layer separation, resulting in a decrease in the water flux of the membrane. The salt rejection increases with increasing layer separation. The water flux of the membrane decreases as the energy barrier increases with increasing pore offset and the salt rejection increases. The energy barrier effect is more pronounced for a larger number of graphene layers and the water flux of the membrane decreases because it is more difficult for the water molecules to pass through the porous graphene membrane. However, the salt rejection performance improves with the increase in the number of layers. The gradient pore structure enhances the energy barrier effect of the water molecules permeating through the membrane and the water flux of the membrane decreases. The salt rejection performance is improved by the gradient pore structure. The research results provide theoretical guidance for research on the RO performance of porous graphene membranes and the design of porous graphene membranes.

scholarly journals A combustion method to synthesize nanoporous graphene

RSC Advances ◽  
2018 ◽  
Vol 8 (17) ◽  
pp. 9320-9326
Author(s):  
Q. Y. Yang ◽  
H. L. Zhou ◽  
M. T. Xie ◽  
P. P. Ma ◽  
Z. S. Zhu ◽  
...  
Keyword(s):  
Specific Surface ◽  
Pore Size Distribution ◽  
Pore Size ◽  
Size Distribution ◽  
Surface Area ◽  
Specific Surface Area ◽  
Combustion Process ◽  
Combustion Method ◽  
Nanoporous Graphene

The combustion process of GOA, and the specific surface area and pore size distribution of P-RGO are shown in the images.

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