scholarly journals Molecular Dynamics Simulation of Water-Based Fracturing Fluids in Kaolinite Slit Pores

2018 ◽  
Vol 122 (30) ◽  
pp. 17170-17183 ◽  
Author(s):  
Konstantinos D. Papavasileiou ◽  
Vasileios K. Michalis ◽  
Loukas D. Peristeras ◽  
Manolis Vasileiadis ◽  
Alberto Striolo ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Fracturing Fluids ◽  
Water Based ◽  
Slit Pores

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.

Study on Methane Adsorption in Graphite Slit-pores by Molecular Dynamics Simulation

2017 ◽  
Author(s):  
Lei Chen ◽  
Ding-Bin Huang ◽  
Shan-You Wang ◽  
Ya-Ling He ◽  
Wen-Quan Tao
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Methane Adsorption ◽  
Dynamics Simulation ◽  
Slit Pores

scholarly journals Effect of SWCNT Volume Fraction on The Viscosity of Water Based Nanofluids

2021 ◽  
Author(s):  
Hossein Namarvari ◽  
Naiyer Razmara ◽  
Caetano Rodrigues Miranda
Keyword(s):  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Molecular Dynamics Simulation ◽  
Volume Fraction ◽  
Dynamics Simulation ◽  
Single Walled Carbon Nanotube ◽  
Volume Fractions ◽  
Base Materials ◽  
Water Based ◽  
Two Temperatures

Abstract Nanofluids have drawn special attention during the last decades due to their various unique properties. It is revealed that the addition of nanotubes to the base materials can significantly change their properties. In the present work, the viscosity of water containing nanotube is calculated using the Molecular Dynamics Simulation for different volume fractions in the range between 0.557% and 3% at two temperatures (298K and 313K). The Green–Kubo equilibrium method is applied for calculating viscosity. The studied nanotube is an Armchair (6,6) single-walled carbon nanotube. The results show the potential of the Molecular Dynamics Simulation technique as a powerful tool in the prediction of nanofluid properties beside the experimental results. A new relationship for viscosity is offered for volume fractions of ϕ ≤ 3%, according to the obtained results.

scholarly journals Molecular Dynamics Simulation of Water Molecules in Confined Slit Pores of Graphene

2015 ◽  
Vol 31 (8) ◽  
pp. 1489-1498
Author(s):  
Meng-Yao. ZHAO ◽  
◽  
Xue-Ping. YANG ◽  
Xiao-Ning. YANG
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Water Molecules ◽  
Slit Pores
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