Effect of temperature and diameter of narrow single-walled carbon nanotubes on the viscosity of nanofluid

A molecular dynamics study

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

Equilibrium molecular dynamics simulations by all-atom model have been employed to investigate the adsorption properties and temperature dependence of the shear viscosity of ethanol molecules confined in narrow single-walled carbon nanotubes (SWCNTs). Since the properties of the narrow tubes (diameters < 7 Å) are strongly influenced by their curvature, the narrow SWCNTs with diameters ranging from 0.54 to 1.08 nm and the length of 2.5 nm in ethanol reservoir at 273.0, 298.0 and 323K and 1 bar have been studied. The results indicate that endo-adsorption occurs in nanotubes with the diameter larger than 0.81 nm and as a result ethanol nano-wires can be formed inside nanotubes. Calculations of shear viscosity of the nanofluid using Green–Kubo method reveal that the relative viscosity of the confined ethanol decreases with increasing temperature. All the CNT@ethanol fluids have lower viscosity than the base liquid ethanol at all temperatures and the viscosity increases with the increase of CNT radius and endo-adsorption. Chirality of the CNTs has minor effects on shear viscosity and endo-adsorption and the main factor is CNTs diameter. The results of the present work provide deep understanding of the viscosity changes with temperature at the nanofluids and can describe the mechanisms for base fluid property modifications caused by adding nanoparticles. These results are applicable in design and preparation of diesohols and fuel-grade ethanol.

Original languageEnglish
Pages (from-to)193-199
Number of pages7
JournalFluid Phase Equilibria
Volume434
DOIs
Publication statusPublished - Feb 25 2017

Fingerprint

Single-walled carbon nanotubes (SWCN)
Molecular dynamics
Ethanol
ethyl alcohol
carbon nanotubes
Viscosity
viscosity
molecular dynamics
Shear viscosity
Adsorption
adsorption
Temperature
temperature
shear
Nanotubes
nanotubes
Fluids
Chirality
fluids
chirality

Keywords

  • Carbon nanotubes
  • Chirality and diameter effect
  • Molecular dynamic simulation
  • Nanofluid
  • Temperature effect
  • Viscosity

ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

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title = "Effect of temperature and diameter of narrow single-walled carbon nanotubes on the viscosity of nanofluid: A molecular dynamics study",
abstract = "Equilibrium molecular dynamics simulations by all-atom model have been employed to investigate the adsorption properties and temperature dependence of the shear viscosity of ethanol molecules confined in narrow single-walled carbon nanotubes (SWCNTs). Since the properties of the narrow tubes (diameters < 7 {\AA}) are strongly influenced by their curvature, the narrow SWCNTs with diameters ranging from 0.54 to 1.08 nm and the length of 2.5 nm in ethanol reservoir at 273.0, 298.0 and 323K and 1 bar have been studied. The results indicate that endo-adsorption occurs in nanotubes with the diameter larger than 0.81 nm and as a result ethanol nano-wires can be formed inside nanotubes. Calculations of shear viscosity of the nanofluid using Green–Kubo method reveal that the relative viscosity of the confined ethanol decreases with increasing temperature. All the CNT@ethanol fluids have lower viscosity than the base liquid ethanol at all temperatures and the viscosity increases with the increase of CNT radius and endo-adsorption. Chirality of the CNTs has minor effects on shear viscosity and endo-adsorption and the main factor is CNTs diameter. The results of the present work provide deep understanding of the viscosity changes with temperature at the nanofluids and can describe the mechanisms for base fluid property modifications caused by adding nanoparticles. These results are applicable in design and preparation of diesohols and fuel-grade ethanol.",
keywords = "Carbon nanotubes, Chirality and diameter effect, Molecular dynamic simulation, Nanofluid, Temperature effect, Viscosity",
author = "Gholamreza Vakili-Nezhaad and Majid Al-Wadhahi and Gujrathi, {Ashish M.} and Rashid Al-Maamari and Mahnaz Mohammadi",
year = "2017",
month = "2",
day = "25",
doi = "10.1016/j.fluid.2016.11.032",
language = "English",
volume = "434",
pages = "193--199",
journal = "Fluid Phase Equilibria",
issn = "0378-3812",
publisher = "Elsevier",

}

TY - JOUR

T1 - Effect of temperature and diameter of narrow single-walled carbon nanotubes on the viscosity of nanofluid

T2 - A molecular dynamics study

AU - Vakili-Nezhaad, Gholamreza

AU - Al-Wadhahi, Majid

AU - Gujrathi, Ashish M.

AU - Al-Maamari, Rashid

AU - Mohammadi, Mahnaz

PY - 2017/2/25

Y1 - 2017/2/25

N2 - Equilibrium molecular dynamics simulations by all-atom model have been employed to investigate the adsorption properties and temperature dependence of the shear viscosity of ethanol molecules confined in narrow single-walled carbon nanotubes (SWCNTs). Since the properties of the narrow tubes (diameters < 7 Å) are strongly influenced by their curvature, the narrow SWCNTs with diameters ranging from 0.54 to 1.08 nm and the length of 2.5 nm in ethanol reservoir at 273.0, 298.0 and 323K and 1 bar have been studied. The results indicate that endo-adsorption occurs in nanotubes with the diameter larger than 0.81 nm and as a result ethanol nano-wires can be formed inside nanotubes. Calculations of shear viscosity of the nanofluid using Green–Kubo method reveal that the relative viscosity of the confined ethanol decreases with increasing temperature. All the CNT@ethanol fluids have lower viscosity than the base liquid ethanol at all temperatures and the viscosity increases with the increase of CNT radius and endo-adsorption. Chirality of the CNTs has minor effects on shear viscosity and endo-adsorption and the main factor is CNTs diameter. The results of the present work provide deep understanding of the viscosity changes with temperature at the nanofluids and can describe the mechanisms for base fluid property modifications caused by adding nanoparticles. These results are applicable in design and preparation of diesohols and fuel-grade ethanol.

AB - Equilibrium molecular dynamics simulations by all-atom model have been employed to investigate the adsorption properties and temperature dependence of the shear viscosity of ethanol molecules confined in narrow single-walled carbon nanotubes (SWCNTs). Since the properties of the narrow tubes (diameters < 7 Å) are strongly influenced by their curvature, the narrow SWCNTs with diameters ranging from 0.54 to 1.08 nm and the length of 2.5 nm in ethanol reservoir at 273.0, 298.0 and 323K and 1 bar have been studied. The results indicate that endo-adsorption occurs in nanotubes with the diameter larger than 0.81 nm and as a result ethanol nano-wires can be formed inside nanotubes. Calculations of shear viscosity of the nanofluid using Green–Kubo method reveal that the relative viscosity of the confined ethanol decreases with increasing temperature. All the CNT@ethanol fluids have lower viscosity than the base liquid ethanol at all temperatures and the viscosity increases with the increase of CNT radius and endo-adsorption. Chirality of the CNTs has minor effects on shear viscosity and endo-adsorption and the main factor is CNTs diameter. The results of the present work provide deep understanding of the viscosity changes with temperature at the nanofluids and can describe the mechanisms for base fluid property modifications caused by adding nanoparticles. These results are applicable in design and preparation of diesohols and fuel-grade ethanol.

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DO - 10.1016/j.fluid.2016.11.032

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