High-efficiency and selective adsorption of organic pollutants by magnetic CoFe2O4/graphene oxide adsorbents: Experimental and molecular dynamics simulation study

2020 ◽  
Vol 238 ◽  
pp. 116400 ◽  
Author(s):  
Shucheng Chang ◽  
Qian Zhang ◽  
Yukai Lu ◽  
Sizhu Wu ◽  
Wei Wang
Keyword(s):  
Molecular Dynamics ◽  
Graphene Oxide ◽  
Molecular Dynamics Simulation ◽  
Organic Pollutants ◽  
Simulation Study ◽  
High Efficiency ◽  
Selective Adsorption ◽  
Dynamics Simulation

Heparin-reduced graphene oxide nanocomposites for curcumin delivery: in vitro, in vivo and molecular dynamics simulation study

2019 ◽  
Vol 7 (3) ◽  
pp. 1011-1027 ◽  
Author(s):  
Xiaoqun Shi ◽  
Yang Wang ◽  
Haiyan Sun ◽  
Yujuan Chen ◽  
Xingzhen Zhang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Graphene Oxide ◽  
Molecular Dynamics Simulation ◽  
Reduced Graphene Oxide ◽  
Simulation Study ◽  
Dynamics Simulation ◽  
Reduced Graphene

We fabricated novel rGO-based nanocomposites and analyzed their interaction with drug and proteins via a molecular dynamics study.

scholarly journals Intrinsic high water/ion selectivity of graphene oxide lamellar membranes in concentration gradient-driven diffusion

2016 ◽  
Vol 7 (12) ◽  
pp. 6988-6994 ◽  
Author(s):  
Pengzhan Sun ◽  
Renzhi Ma ◽  
Hui Deng ◽  
Zhigong Song ◽  
Zhen Zhen ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Graphene Oxide ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Concentration Gradient ◽  
Ion Selectivity ◽  
High Water ◽  
Water Desalination ◽  
Dynamics Simulation ◽  
Great Promise

A combined experimental and molecular dynamics simulation study shows that intrinsic high water/ion selectivity of graphene oxide lamellar membrane was achieved in concentration gradient-driven diffusion, showing great promise in water desalination.

Investigation of graphene oxide nanosheets dispersion in water based on solubility parameters: a molecular dynamics simulation study

RSC Advances ◽  
2015 ◽  
Vol 5 (129) ◽  
pp. 106421-106430 ◽  
Author(s):  
Elaheh K. Goharshadi ◽  
Golnoosh Akhlamadi ◽  
Sayyed Jalil Mahdizadeh
Keyword(s):  
Molecular Dynamics ◽  
Graphene Oxide ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Dynamics Simulation ◽  
Solubility Parameters ◽  
Graphene Oxide Nanosheets ◽  
Number Of Layers ◽  
Water Based

The solubility parameters of GO were calculated as functions of both temperature and number of layers.

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