不同尺寸的碳纳米管接枝聚酰亚胺复合材料的分子动力学模拟

doi:10.11896/cldb.21060264

Abstract
Figure/Table
References
Related Citation (15)

Download:

Full Text ( PDF ) (9204KB)
Export: BibTeX | EndNote (RIS)

Abstract In this paper, polyimide (PI) model and MWCNT/PI composite models were established by molecular simulation software Materials Studio, as well as MWCNT with different diameters and lengths . The effects of different sizes of MWCNT on mechanical properties and glass transition temperature (T_g) of MWCNT/PI composites were investigated. The results show that the young's modulus and shear modulus of MWCNT/ PI-1 composites are 24.935 4 GPa and 7.977 GPa, respectively, when the length of MWCNT is 10—20 μm and the diameter of MWCNT is 10—20 nm. When the MWCNT with the diameter of 10—20 nm and length over 50 μm was added, the mechanical properties of MWCNT/ PI-7 composites increased most significantly, and the Young's modulus and shear modulus of MWCNT/ PI-7 composites were 26.671 GPa and 9.246 2 GPa, respectively. The results show that if the diameter or length of MWCNT is smaller, which means the aspect ratio increases, the interaction force between MWCNT and PI will be stronger, and the mechanical properties and glass transition temperature of PI composites will increase.

Key words： polyimide carbon nanotubes glass transition temperature molecular dynamics simulation

Published: Online: 2022-12-09

CLC number:

O631

Fund:Education Department of Liaoning Province(L2019001).

	Service
	E-mail this article
	Add to my bookshelf
	Add to citation manager
	E-mail Alert
	RSS
	Articles by authors
	CAO Jingjing
	ZHANG Yudi
	DENG Yuyuan
	XU Xinyu

Cite this article:

CAO Jingjing,ZHANG Yudi,DENG Yuyuan, et al. Molecular Dynamics Simulation of Carbon Nanotube Grafted Polyimide Composites of Different Sizes[J]. Materials Reports, 2022, 36(23): 21060264-5.

URL:

http://www.mater-rep.com/EN/10.11896/cldb.21060264 OR http://www.mater-rep.com/EN/Y2022/V36/I23/21060264

1 Wang J , Jin X , Wu H. Carbon, 2017, 123, 502.
2 Yan Li, Fu L W, Chen Y. Journal of Applied Polymer Science, 2017, 134, 1.
3 Sengupta R, Bhattacharya M, Bandyopadhyay S. Progress in Polymer Science, 2011, 36, 638.
4 Gama N, Costa L C, Amaral V. Composites Science and Technology, 2017,138, 24.
5 Chen D, Zhu H, Liu T X. ACS Applied Material Interfaces, 2010, 2, 3702.
6 Baferani AH, Katbab A A, Ohadi A R. European Polymer Journal, 2017, 90, 383.
7 Zhu Q, Pan Q, Liu F. the Journal of Physical Chemistry C, 2011, 115, 17464.
8 Wu Z S, Sun Y, Tan Y Z. Journal of the American Chemical Society, 2012, 134, 19532.
9 Zhao Y, Hu C, Hu Y. Angewandte Chemie, 2012, 124, 11533.
10 Weng L, Wang T, Ju P H. Journal of Porous Materials, 2016, 24, 1.
11 Sengupta R, Bhattacharya M, Bandyopadhyay S. Progress in Polymer Science, 2011, 36, 638.
12 Tian H F, Yao Y Y, Liu W L. Polymer Testing, 2018, 67, 6874.
13 Li Y, Pei X l, Shen B. RSC Advances, 2015, 31, 24342.
14 Zhang M Y, Zhu X Y, Diao P H. Materials Science Forum, 2011, 21, 1237.
15 So H H, Cho J W, Sahoon N G. European Polymer Journal, 2007, 43, 3750.
16 Yuen S M, Ma C C, Lin Y Y. Composites Science and Technology, 2017, 67, 2564.
17 Hu S Q, Lyu Q, Wang Z K,et al. Acta Material Compositae Sinica, 2017, 34(1), 12 (in Chinese).
胡松青, 吕强, 王志坤, 等. 复合材料学报, 2017, 34(1), 12.
18 Zhu B K, Xie S H, Xu Z K. Composites Science and Technology, 2006, 66, 548.
19 Odegard G, Gates T, Wise K,et al. Composites Science and Technology, 2013, 63, 1671.
20 Zhang W Q, Li H, Sui G. Fiber Reinforced Plastics/Composites, 2018, 298(11), 17 (in Chinese).
张文卿, 李浩, 隋刚. 玻璃钢 /复合材料, 2018, 298(11), 17.
21 Hu L R, Zhou G T,Shen J X. Journal of Elastomers and Plastics, 2018, 28(2), 17 (in Chinese).
胡利如, 周桂桃, 沈建祥. 弹性体, 2018, 28(2), 17.
22 Jiang Q. Optimization of the interface between MWCNT and PI, molecular dynamics simulation and characterization of the structure and properties of their composites.Ph. D. Thesis, Donghua University, China, 2013 (in Chinese).
姜茜. MWCNT与PI界面优化、分子动力学模拟及其复合材料的结构性能表征. 博士学位论文, 东华大学, 2013.
23 Sun G, Liu L , Wang J. Polymer Degradation and Stability, 2014, 110, 1.
24 Yang W L, Han W L, Wang Y. Acta Physica Sinica, 2017, 66(22), 291 (in Chinese).
杨文龙, 韩浚生, 王宇. 物理学报, 2017, 66(22), 291.
25 Lin J Q, Li X K, Yang W L,et al. Acta Physica Sinica, 2015, 64(12), 126202 (in Chinese).
林加齐,李晓康,杨文龙, 等. 物理学报, 2015, 64(12), 126202.
26 Yang M J, Deng B B, Ma Z. Materials Reports B:Research Papers, 2017, 31(6), 139 (in Chinese).
杨明君, 邓彬彬, 马占. 材料导报:研究篇, 2017, 31(6), 139.
27 Jiang Q , Tallury S S, Qiu Y. Carbon, 2014, 67, 440.