Investigation of the adsorption of polymer chains on amine-functionalized double-walled carbon nanotubes
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| 008 | 210128e20151201xx s 000 0 eng | ||
| 024 | 7 | 0 | |a 10.1007/s00894-015-2858-z |2 doi |
| 035 | |a (NATIONALLICENCE)springer-10.1007/s00894-015-2858-z | ||
| 245 | 0 | 0 | |a Investigation of the adsorption of polymer chains on amine-functionalized double-walled carbon nanotubes |h [Elektronische Daten] |c [R. Ansari, S. Ajori, S. Rouhi] |
| 520 | 3 | |a Molecular dynamics (MD) simulations were used to study the adsorption of different polymer chains on functionalized double-walled carbon nanotubes (DWCNTs). The nanotubes were functionalized with two different amines: NH2 (a small amine) and CH2-NH2 (a large amine). Considering three different polymer chains, all with the same number of atoms, the effect of polymer type on the polymer-nanotube interaction was studied. In general, it was found that covalent functionalization considerably improved the polymer-DWCNT interaction. By comparing the results obtained with different polymer chains, it was observed that, unlike polyethylene and polyketone, poly(styrene sulfonate) only weakly interacts with the functionalized DWCNTs. Accordingly, the smallest radius of gyration was obtained with adsorbed poly(styrene sulfonate). It was also observed that the DWCNTs functionalized with the large amine presented more stable interactions with polyketone and poly(styrene sulfonate) than with polyethylene, whereas the DWCNTs functionalized with the small amine showed better interfacial noncovalent bonding with polyethylene. | |
| 540 | |a Springer-Verlag Berlin Heidelberg, 2015 | ||
| 690 | 7 | |a Functionalized double-walled carbon nanotubes |2 nationallicence | |
| 690 | 7 | |a Amine |2 nationallicence | |
| 690 | 7 | |a Polymer chains |2 nationallicence | |
| 690 | 7 | |a Adsorption |2 nationallicence | |
| 700 | 1 | |a Ansari |D R. |u Department of Mechanical Engineering, University of Guilan, P.O. Box 3756, Rasht, Iran |4 aut | |
| 700 | 1 | |a Ajori |D S. |u Department of Mechanical Engineering, University of Guilan, P.O. Box 3756, Rasht, Iran |4 aut | |
| 700 | 1 | |a Rouhi |D S. |u Young Researchers Club, Langroud Branch, Islamic Azad University, Langroud, Guilan, Iran |4 aut | |
| 773 | 0 | |t Journal of Molecular Modeling |d Springer Berlin Heidelberg |g 21/12(2015-12-01), 1-11 |x 1610-2940 |q 21:12<1 |1 2015 |2 21 |o 894 | |
| 856 | 4 | 0 | |u https://doi.org/10.1007/s00894-015-2858-z |q text/html |z Onlinezugriff via DOI |
| 898 | |a BK010053 |b XK010053 |c XK010000 | ||
| 900 | 7 | |a Metadata rights reserved |b Springer special CC-BY-NC licence |2 nationallicence | |
| 908 | |D 1 |a research-article |2 jats | ||
| 949 | |B NATIONALLICENCE |F NATIONALLICENCE |b NL-springer | ||
| 950 | |B NATIONALLICENCE |P 856 |E 40 |u https://doi.org/10.1007/s00894-015-2858-z |q text/html |z Onlinezugriff via DOI | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Ansari |D R. |u Department of Mechanical Engineering, University of Guilan, P.O. Box 3756, Rasht, Iran |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Ajori |D S. |u Department of Mechanical Engineering, University of Guilan, P.O. Box 3756, Rasht, Iran |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Rouhi |D S. |u Young Researchers Club, Langroud Branch, Islamic Azad University, Langroud, Guilan, Iran |4 aut | ||
| 950 | |B NATIONALLICENCE |P 773 |E 0- |t Journal of Molecular Modeling |d Springer Berlin Heidelberg |g 21/12(2015-12-01), 1-11 |x 1610-2940 |q 21:12<1 |1 2015 |2 21 |o 894 | ||