On the Wrapping of Polyglycolide, Poly(Ethylene Oxide), and Polyketone Polymer Chains Around Single-Walled Carbon Nanotubes Using Molecular Dynamics Simulations
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| Natura: | Artículo científico |
| Lingua: | en |
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Sociedade Brasileira de Física
2015
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| _version_ | 1876430299545468928 |
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| author | S. Rouhi |
| author_facet | S. Rouhi |
| contents | On the Wrapping of Polyglycolide, Poly(Ethylene Oxide), and Polyketone Polymer Chains Around Single-Walled Carbon Nanotubes Using Molecular Dynamics Simulations S. Rouhi Y. Alizadeh R. Ansari Física, Astronomía y Matemáticas Single Polymer Wrapping Nanocomposites walledcarbon nanotube By using molecular dynamics simulations, the interaction between a singl e-walled carbon nanotube and three different polymers has been studied in this work. The effects of various parameters such as the nanotube geometry and temperature on the interaction energy and radius of gyration of polymers have been explored. By studying the snapshots of polymers along the single- walled carbon nanotube, it has been shown that 50 ps can be considered as a suitable time after which the shape of polymer chains around the nanotube remains almost unchanged. It is revealed that the effect of tem- perature on the interaction energy and radius of gyration of polymers in the range of 250 to 500 K is not signif- icant Also, it is shown that the interaction energy de- pends on the nanotube diameter. 2015 artículo científico 0103-9733 https://www.redalyc.org/articulo.oa?id=46433753002 en http://www.redalyc.org/revista.oa?id=464 Brazilian Journal of Physics application/pdf Sociedade Brasileira de Física Brazilian Journal of Physics (Brasil) Num.1 Vol.45 |
| format | Artículo científico |
| id | redalyc_46433753002 |
| institution | Redalyc |
| language | en |
| publishDate | 2015 |
| publisher | Sociedade Brasileira de Física |
| spellingShingle | On the Wrapping of Polyglycolide, Poly(Ethylene Oxide), and Polyketone Polymer Chains Around Single-Walled Carbon Nanotubes Using Molecular Dynamics Simulations S. Rouhi Física, Astronomía y Matemáticas Single Polymer Wrapping Nanocomposites walledcarbon nanotube On the Wrapping of Polyglycolide, Poly(Ethylene Oxide), and Polyketone Polymer Chains Around Single-Walled Carbon Nanotubes Using Molecular Dynamics Simulations S. Rouhi Y. Alizadeh R. Ansari Física, Astronomía y Matemáticas Single Polymer Wrapping Nanocomposites walledcarbon nanotube By using molecular dynamics simulations, the interaction between a singl e-walled carbon nanotube and three different polymers has been studied in this work. The effects of various parameters such as the nanotube geometry and temperature on the interaction energy and radius of gyration of polymers have been explored. By studying the snapshots of polymers along the single- walled carbon nanotube, it has been shown that 50 ps can be considered as a suitable time after which the shape of polymer chains around the nanotube remains almost unchanged. It is revealed that the effect of tem- perature on the interaction energy and radius of gyration of polymers in the range of 250 to 500 K is not signif- icant Also, it is shown that the interaction energy de- pends on the nanotube diameter. 2015 artículo científico 0103-9733 https://www.redalyc.org/articulo.oa?id=46433753002 en http://www.redalyc.org/revista.oa?id=464 Brazilian Journal of Physics application/pdf Sociedade Brasileira de Física Brazilian Journal of Physics (Brasil) Num.1 Vol.45 |
| title | On the Wrapping of Polyglycolide, Poly(Ethylene Oxide), and Polyketone Polymer Chains Around Single-Walled Carbon Nanotubes Using Molecular Dynamics Simulations |
| topic | Física, Astronomía y Matemáticas Single Polymer Wrapping Nanocomposites walledcarbon nanotube |
| url | https://www.redalyc.org/articulo.oa?id=46433753002 |