Influence of the electrostatic interactions on thermophysical properties of polyimides: Molecular-dynamics simulations
S Falkovich
1
,
V M Nazarychev
1
,
Sergey V. Lyulin
1
,
Andrey A. Gurtovenko
1, 2
,
Alexey V. Lyulin
3
Publication type: Journal Article
Publication date: 2014-02-24
SJR: —
CiteScore: —
Impact factor: —
ISSN: 08876266, 10990488
Materials Chemistry
Physical and Theoretical Chemistry
Condensed Matter Physics
Polymers and Plastics
Abstract
Revealing the way of how modification of the chemical structure of a polymer affects its macroscopic physical properties offers an opportunity to develop novel polymer materials with pre-defined characteristics. To address this problem two thermoplastic polyimides, ULTEM™ and EXTEM™, were simulated with small difference in chemical structures of monomer units, namely, the phenyl ring in ULTEM™ was replaced by the diphenylsulphone group in EXTEM™. It is shown that such a small modification results in a drastic difference of the thermal properties: the glass transition temperature of EXTEM™ is higher than that of ULTEM™. Our molecular-dynamics simulations clearly demonstrated that it is the electrostatic interactions that are responsible for the observed difference in thermal properties of ULTEM™ and EXTEM™: large partial charges of the sulphone group in the EXTEM™ lead to strong dipole–dipole intra- and intermolecular interactions and correspondingly to an elevated glass transition temperature. © 2014 Wiley Periodicals, Inc. J. Polym. Sci. Part B: Polym. Phys. 2014, 52, 640–646
Found
Nothing found, try to update filter.
Found
Nothing found, try to update filter.
Top-30
Journals
|
1
2
3
4
5
|
|
|
Polymers
5 publications, 11.11%
|
|
|
Macromolecules
4 publications, 8.89%
|
|
|
Journal of Polymer Science, Part B: Polymer Physics
3 publications, 6.67%
|
|
|
Polymer
3 publications, 6.67%
|
|
|
Journal of Physical Chemistry B
3 publications, 6.67%
|
|
|
RSC Advances
2 publications, 4.44%
|
|
|
Chemical Engineering Journal
2 publications, 4.44%
|
|
|
Journal of Polymer Science
2 publications, 4.44%
|
|
|
Physical Chemistry Chemical Physics
2 publications, 4.44%
|
|
|
Journal of Physical Chemistry C
1 publication, 2.22%
|
|
|
Polymer Science - Series C
1 publication, 2.22%
|
|
|
ACS Omega
1 publication, 2.22%
|
|
|
Multifunctional Polymeric Nanocomposites Based on Cellulosic Reinforcements
1 publication, 2.22%
|
|
|
Journal of Molecular Modeling
1 publication, 2.22%
|
|
|
Macromolecular Research
1 publication, 2.22%
|
|
|
Computational Materials Science
1 publication, 2.22%
|
|
|
Journal of Membrane Science
1 publication, 2.22%
|
|
|
Journal of Chemical Information and Modeling
1 publication, 2.22%
|
|
|
ACS Applied Polymer Materials
1 publication, 2.22%
|
|
|
Molecular Pharmaceutics
1 publication, 2.22%
|
|
|
Industrial & Engineering Chemistry Research
1 publication, 2.22%
|
|
|
Reviews and Advances in Chemistry
1 publication, 2.22%
|
|
|
Polymer Science - Series A
1 publication, 2.22%
|
|
|
Advances in Dielectrics
1 publication, 2.22%
|
|
|
Vestnik MGSU
1 publication, 2.22%
|
|
|
Polymer Degradation and Stability
1 publication, 2.22%
|
|
|
Journal of Elastomers and Plastics
1 publication, 2.22%
|
|
|
Progress in Polymer Science
1 publication, 2.22%
|
|
|
1
2
3
4
5
|
Publishers
|
2
4
6
8
10
12
14
|
|
|
American Chemical Society (ACS)
13 publications, 28.89%
|
|
|
Elsevier
10 publications, 22.22%
|
|
|
MDPI
5 publications, 11.11%
|
|
|
Wiley
5 publications, 11.11%
|
|
|
Royal Society of Chemistry (RSC)
4 publications, 8.89%
|
|
|
Pleiades Publishing
3 publications, 6.67%
|
|
|
Springer Nature
2 publications, 4.44%
|
|
|
Polymer Society of Korea
1 publication, 2.22%
|
|
|
Moscow State University of Civil Engineering
1 publication, 2.22%
|
|
|
SAGE
1 publication, 2.22%
|
|
|
2
4
6
8
10
12
14
|
- We do not take into account publications without a DOI.
- Statistics recalculated weekly.
Are you a researcher?
Create a profile to get free access to personal recommendations for colleagues and new articles.
Metrics
45
Total citations:
45
Citations from 2024:
6
(13.34%)
Cite this
GOST |
RIS |
BibTex |
MLA
Cite this
GOST
Copy
Falkovich S. et al. Influence of the electrostatic interactions on thermophysical properties of polyimides: Molecular-dynamics simulations // Journal of Polymer Science, Part B: Polymer Physics. 2014. Vol. 52. No. 9. pp. 640-646.
GOST all authors (up to 50)
Copy
Falkovich S., Nazarychev V. M., Lyulin S. V., Gurtovenko A. A., Lukasheva N. V., Lyulin A. V. Influence of the electrostatic interactions on thermophysical properties of polyimides: Molecular-dynamics simulations // Journal of Polymer Science, Part B: Polymer Physics. 2014. Vol. 52. No. 9. pp. 640-646.
Cite this
RIS
Copy
TY - JOUR
DO - 10.1002/polb.23460
UR - https://doi.org/10.1002/polb.23460
TI - Influence of the electrostatic interactions on thermophysical properties of polyimides: Molecular-dynamics simulations
T2 - Journal of Polymer Science, Part B: Polymer Physics
AU - Falkovich, S
AU - Nazarychev, V M
AU - Lyulin, Sergey V.
AU - Gurtovenko, Andrey A.
AU - Lukasheva, Natalia V.
AU - Lyulin, Alexey V.
PY - 2014
DA - 2014/02/24
PB - Wiley
SP - 640-646
IS - 9
VL - 52
SN - 0887-6266
SN - 1099-0488
ER -
Cite this
BibTex (up to 50 authors)
Copy
@article{2014_Falkovich,
author = {S Falkovich and V M Nazarychev and Sergey V. Lyulin and Andrey A. Gurtovenko and Natalia V. Lukasheva and Alexey V. Lyulin},
title = {Influence of the electrostatic interactions on thermophysical properties of polyimides: Molecular-dynamics simulations},
journal = {Journal of Polymer Science, Part B: Polymer Physics},
year = {2014},
volume = {52},
publisher = {Wiley},
month = {feb},
url = {https://doi.org/10.1002/polb.23460},
number = {9},
pages = {640--646},
doi = {10.1002/polb.23460}
}
Cite this
MLA
Copy
Falkovich, S., et al. “Influence of the electrostatic interactions on thermophysical properties of polyimides: Molecular-dynamics simulations.” Journal of Polymer Science, Part B: Polymer Physics, vol. 52, no. 9, Feb. 2014, pp. 640-646. https://doi.org/10.1002/polb.23460.
Profiles