Describing Binary Mixture Diffusion in Carbon Nanotubes with the Maxwell−Stefan Equations. An Investigation Using Molecular Dynamics Simulations

R. Krishna; J. M. van Baten

doi:10.1021/ie051126d

Describing Binary Mixture Diffusion in Carbon Nanotubes with the Maxwell−Stefan Equations. An Investigation Using Molecular Dynamics Simulations

Industrial & Engineering Chemistry Research ◽

10.1021/ie051126d ◽

2006 ◽

Vol 45 (6) ◽

pp. 2084-2093 ◽

Cited By ~ 42

Author(s):

R. Krishna ◽

J. M. van Baten

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Binary Mixture ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations

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Molecular Dynamics Simulations of Polymers with Stiff Backbones Interacting with Single-Walled Carbon Nanotubes

The Journal of Physical Chemistry B ◽

10.1021/jp101191j ◽

2010 ◽

Vol 114 (29) ◽

pp. 9349-9355 ◽

Cited By ~ 88

Author(s):

Syamal S. Tallury ◽

Melissa A. Pasquinelli

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

Dynamics Simulations ◽

Walled Carbon Nanotubes

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On the interfacial characteristics of polyethylene/single-walled carbon nanotubes using molecular dynamics simulations

Applied Surface Science ◽

10.1016/j.apsusc.2013.12.087 ◽

2014 ◽

Vol 292 ◽

pp. 958-970 ◽

Cited By ~ 31

Author(s):

S. Rouhi ◽

Y. Alizadeh ◽

R. Ansari

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

Dynamics Simulations ◽

Walled Carbon Nanotubes ◽

Interfacial Characteristics

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Examining the effects of wall numbers on buckling behavior and mechanical properties of multiwalled carbon nanotubes via molecular dynamics simulations

Journal of Applied Physics ◽

10.1063/1.2890146 ◽

2008 ◽

Vol 103 (5) ◽

pp. 053505 ◽

Cited By ~ 22

Author(s):

Y. Y. Zhang ◽

C. M. Wang ◽

V. B. C. Tan

Keyword(s):

Mechanical Properties ◽

Carbon Nanotubes ◽

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Multiwalled Carbon Nanotubes ◽

Multiwalled Carbon ◽

Buckling Behavior ◽

Dynamics Simulations

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Molecular dynamics simulations of the polymer/amine functionalized single-walled carbon nanotubes interactions

Applied Surface Science ◽

10.1016/j.apsusc.2018.04.133 ◽

2018 ◽

Vol 455 ◽

pp. 171-180 ◽

Cited By ~ 11

Author(s):

R. Ansari ◽

S. Rouhi ◽

S. Ajori

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

Amine Functionalized ◽

Dynamics Simulations ◽

Walled Carbon Nanotubes

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Molecular dynamics simulations of the wetting behavior of carbon nanotubes in liquid copper

Computers & Fluids ◽

10.1016/j.compfluid.2018.06.004 ◽

2018 ◽

Vol 172 ◽

pp. 19-28

Author(s):

Bryan T. Susi ◽

Jay F. Tu

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Liquid Copper ◽

Wetting Behavior ◽

Dynamics Simulations

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Microscopic Structure and Dynamics of Molecular Liquids and Electrolyte Solutions Confined by Carbon Nanotubes: Molecular Dynamics Simulations

Carbon Nanotubes - Synthesis, Characterization, Applications ◽

10.5772/20943 ◽

2011 ◽

Author(s):

Oleg N. ◽

Vitaly V. ◽

Oleg V.

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Electrolyte Solutions ◽

Microscopic Structure ◽

Molecular Liquids ◽

Structure And Dynamics ◽

Dynamics Simulations

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On the elastic properties of single-walled carbon nanotubes/poly(ethylene oxide) nanocomposites using molecular dynamics simulations

Journal of Molecular Modeling ◽

10.1007/s00894-015-2889-5 ◽

2016 ◽

Vol 22 (1) ◽

Cited By ~ 19

Author(s):

S. Rouhi ◽

Y. Alizadeh ◽

R. Ansari

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Ethylene Oxide ◽

Molecular Dynamics Simulations ◽

Elastic Properties ◽

Single Walled Carbon Nanotubes ◽

Poly Ethylene Oxide ◽

Poly Ethylene ◽

Dynamics Simulations ◽

Walled Carbon Nanotubes

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The melting and freezing of KI nanoparticles confined within zigzag single-walled carbon nanotubes based on molecular dynamics simulations

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2011.12.019 ◽

2012 ◽

Vol 983 ◽

pp. 38-44 ◽

Cited By ~ 2

Author(s):

Yin Wang ◽

Jingling Shao ◽

Xiaolei Zhu

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

Dynamics Simulations ◽

Walled Carbon Nanotubes

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Structural properties and buckling behavior of non-covalently functionalized single- and double-walled carbon nanotubes with pyrene-linked polyamide in aqueous environment using molecular dynamics simulations

Journal of Physics and Chemistry of Solids ◽

10.1016/j.jpcs.2019.03.007 ◽

2019 ◽

Vol 131 ◽

pp. 79-85 ◽

Cited By ~ 8

Author(s):

S. Ajori ◽

H. Parsapour ◽

R. Ansari

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Structural Properties ◽

Aqueous Environment ◽

Buckling Behavior ◽

Dynamics Simulations ◽

Double Walled Carbon Nanotubes ◽

Walled Carbon Nanotubes

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Adsorption analysis and mechanical characteristics of carbon nanotubes under physisorption of biological molecules in an aqueous environment using molecular dynamics simulations

Molecular Simulation ◽

10.1080/08927022.2020.1712380 ◽

2020 ◽

Vol 46 (5) ◽

pp. 388-397 ◽

Cited By ~ 1

Author(s):

S. Ajori ◽

A. Ameri ◽

R. Ansari

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Mechanical Characteristics ◽

Biological Molecules ◽

Aqueous Environment ◽

Adsorption Analysis ◽

Dynamics Simulations

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