A Molecular Dynamics Study of Small Gas Molecules Diffusion Through Composite Polysulfone/Carbon Nanotube and Polysulfone / Graphene Membranes

Muraru, Sorin; Ionita, Mariana

Sorin Muraru, Mariana Ionita

A Molecular Dynamics Study of Small Gas Molecules Diffusion Through Composite Polysulfone/Carbon Nanotube and Polysulfone / Graphene Membranes

Abstract:
By using molecular dynamics, this study evaluates and compares the diffusion coefficients of CH4, CO2, H2, N2 and O2 gas molecules through a polysulfone / carbon nanotube, polysulfone / graphene and polysulfone / carbon nanotube-graphene composite membranes. Mechanical properties of the composites were assessed by performing virtual traction tests and the Young’s moduli exhibits values between 2.59 GPa for polysulfone membrane and 3.87 GPa for polysulfone / carbon nanotube-graphene composite membrane. The latter is found to exhibit superior permeability and mechanical properties, making it a promising device for gas separation.

Keywords:
polysulfone; carbon nanotubes; graphene; molecular dynamics

Issue: 2020 Volume 57, Issue 2

Pages: 87-93

Publication date: 2019/7/1

https://doi.org/10.37358/MP.20.2.5354

Download Pdf Article

This article is published under the Creative Commons Attribution 4.0 International License

Citation Styles

Cite this article as:
MURARU, S., IONITA, M., A Molecular Dynamics Study of Small Gas Molecules Diffusion Through Composite Polysulfone/Carbon Nanotube and Polysulfone / Graphene Membranes, Mater. Plast., 57(2), 2020, 87-93. https://doi.org/10.37358/MP.20.2.5354

Vancouver
Muraru S, Ionita M. A Molecular Dynamics Study of Small Gas Molecules Diffusion Through Composite Polysulfone/Carbon Nanotube and Polysulfone / Graphene Membranes. Mater. Plast.[internet]. 2020 Apr;57(2):87-93. Available from: https://doi.org/10.37358/MP.20.2.5354

APA 6th edition
Muraru, S., Ionita, M. (2020). A Molecular Dynamics Study of Small Gas Molecules Diffusion Through Composite Polysulfone/Carbon Nanotube and Polysulfone / Graphene Membranes. Materiale Plastice, 57(2), 87-93. https://doi.org/10.37358/MP.20.2.5354

Harvard
Muraru, S., Ionita, M. (2020). 'A Molecular Dynamics Study of Small Gas Molecules Diffusion Through Composite Polysulfone/Carbon Nanotube and Polysulfone / Graphene Membranes', Materiale Plastice, 57(2), pp. 87-93. https://doi.org/10.37358/MP.20.2.5354

IEEE
S. Muraru, M. Ionita, "A Molecular Dynamics Study of Small Gas Molecules Diffusion Through Composite Polysulfone/Carbon Nanotube and Polysulfone / Graphene Membranes". Materiale Plastice, vol. 57, no. 2, pp. 87-93, 2020. [online]. https://doi.org/10.37358/MP.20.2.5354

Text
Sorin Muraru, Mariana Ionita,
A Molecular Dynamics Study of Small Gas Molecules Diffusion Through Composite Polysulfone/Carbon Nanotube and Polysulfone / Graphene Membranes,
Materiale Plastice,
Volume 57, Issue 2,
2020,
Pages 87-93,
ISSN 2668-8220,
https://doi.org/10.37358/MP.20.2.5354.
(https://revmaterialeplastice.ro/Articles.asp?ID=5354)
Keywords: polysulfone; carbon nanotubes; graphene; molecular dynamics

RIS
TY - JOUR
T1 - A Molecular Dynamics Study of Small Gas Molecules Diffusion Through Composite Polysulfone/Carbon Nanotube and Polysulfone / Graphene Membranes
A1 - Muraru, Sorin
A2 - Ionita, Mariana
JF - Materiale Plastice
JO - Mater. Plast.
PB - Materiale Plastice SRL
SN - 2668-8220
Y1 - 2020
VL - 57
IS - 2
SP - 87
EP - 93
UR - https://doi.org/10.37358/MP.20.2.5354
KW - polysulfone
KW - carbon nanotubes
KW - graphene
KW - molecular dynamics
ER -

BibTex
@article{MatPlast2020P87,
author = {Muraru Sorin and Ionita Mariana},
title = {A Molecular Dynamics Study of Small Gas Molecules Diffusion Through Composite Polysulfone/Carbon Nanotube and Polysulfone / Graphene Membranes},
journal = {Materiale Plastice},
volume = {57},
number = {2},
pages = {87-93},
year = {2020},
issn = {2668-8220},
doi = {https://doi.org/10.37358/MP.20.2.5354},
url = {https://revmaterialeplastice.ro/Articles.asp?ID=5354}
}

Downloads number: 175

<<<< back

PUBLISHING SECTION

Author Guidelines

* Paper Drafting

* Paper Template (doc)

* Ethical Statement (doc)

* Paper Submission

* Author Payments

Ghidul Autorului (ro)

Submit Paper

Author's Page