Equation of state and some structural and dynamical properties of the confined Lennard-Jones fluid into carbon nanotube: A molecular dynamics study

2016 ◽  
Vol 462 ◽  
pp. 1075-1090 ◽  
Author(s):  
Mohsen Abbaspour ◽  
Hamed Akbarzadeh ◽  
Sirous Salemi ◽  
Mousarreza Abroodi
Keyword(s):  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Equation Of State ◽  
Lennard Jones ◽  
Dynamical Properties

A Molecular Dynamics Simulation for Thermal Conductivity Evaluation of Carbon Nanotube-Water Nanofluids

2013 ◽  
Vol 135 (4) ◽  
Author(s):  
M. J. Javanmardi ◽  
K. Jafarpur
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Liquid Water ◽  
Dynamics Simulation ◽  
Effect Of Temperature ◽  
Jones Potential ◽  
Lennard Jones ◽  
Walled Carbon Nanotubes ◽  
Good Agreement

A nanofluid model is simulated by molecular dynamics (MD) approach. The simulated nanofluid has been a dispersion of single walled carbon nanotubes (CNT) in liquid water. Intermolecular force in liquid water has been determined using TIP4P model, and, interatomic force due to carbon nanotube has been calculated by the simplified form of Brenner's potential. However, interaction between molecules of water and atoms of carbon nanotube is modeled by Lennard-Jones potential. The Green–Kubo method is employed to predict the effective thermal conductivity of the nanofluid, and, effect of temperature is sought. The obtained results are checked against experimental data, and, good agreement between them is observed.

Molecular dynamics study of the two‐dimensional Lennard‐Jones equation of state

1984 ◽  
Vol 80 (11) ◽  
pp. 5859-5860 ◽  
Author(s):  
C. Bruin ◽  
A. F. Bakker ◽  
Marvin Bishop
Keyword(s):  
Molecular Dynamics ◽  
Equation Of State ◽  
Two Dimensional ◽  
Lennard Jones

Variational calculations for ground state properties of liquid 3He injected in a carbon nanotube

2017 ◽  
Vol 31 (25) ◽  
pp. 1750228 ◽  
Author(s):  
G. H. Bordbar ◽  
M. A. Rastkhadiv
Keyword(s):  
Carbon Nanotube ◽  
Equation Of State ◽  
Ground State ◽  
Variational Approach ◽  
Energy Equation ◽  
Single Walled Carbon Nanotube ◽  
One Dimensional ◽  
Lennard Jones ◽  
Variational Calculations ◽  
Do So

Liquid 3He injected in a carbon nanotube is of high interests due to different behavior of the liquid helium in the quasi-one-dimensional systems. In this work, a variational approach has been performed to calculate some thermodynamic properties of this quantum system. In order to do so, a single-walled carbon nanotube containing liquid 3He is considered, applying the Lennard-Jones and Stan–Cole potentials for 3He–3He and 3He–C interactions, respectively. Finally the total energy, equation of state and incompressibility of the system have been calculated. Our calculations show the high values for the incompressibility at high densities, especially for high radii.

Modeling the establishment of a saturated state of argon by molecular dynamics

2011 ◽  
Vol 8 (1) ◽  
pp. 172-181
Author(s):  
V.L. Malyshev ◽  
C.I. Mikhaylenko ◽  
E.F. Moiseeva
Keyword(s):  
Mathematical Modeling ◽  
Experimental Data ◽  
Molecular Dynamics ◽  
Equation Of State ◽  
Saturation State ◽  
Small Deviations ◽  
Lennard Jones ◽  
Wide Range ◽  
Molecular Dynamics Methods ◽  
Range Equation

Mathematical modeling of evaporation of liquid and condensation of gaseous argon is performed for small deviations from the saturation state. The simulation is performed using molecular dynamics methods, using the Lennard-Jones interaction potential. The thermodynamic parameters are calculated from the wide-range equation of state. The results of the calculations are compared with known experimental data.

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