|本期目录/Table of Contents|

[1]张晓坤,王世杰*,崔剑征.不同手性指数和直径碳纳米管增强丁腈橡胶复合材料力学性能的分子动力学模拟[J].合成橡胶工业,2021,6:443-448.
　ZHANG Xiao-kun,WANG Shi-jie,CUI Jian-zheng.Molecular dynamics simulation of mechanical properties of nitrile rubber composites reinforced by carbon nanotube with different chirality and diameter[J].China synthetic rubber industy,2021,6:443-448.
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不同手性指数和直径碳纳米管增强丁腈橡胶复合材料力学性能的分子动力学模拟(PDF)

《合成橡胶工业》[ISSN:1000-1255/CN:62-1036/TQ]

期数:
2021年6期
页码:
443-448
栏目:
出版日期:
2021-11-10

文章信息/Info

Title:
Molecular dynamics simulation of mechanical properties of nitrile rubber composites reinforced by carbon nanotube with different chirality and diameter
文章编号:
1000-1255（2021）06-0443-06
作者:
张晓坤; 王世杰*; 崔剑征
沈阳工业大学 机械工程学院，沈阳 110870
Author(s):
ZHANG Xiao-kun;  WANG Shi-jie;  CUI Jian-zheng
（School of Mechanical Engineering, Shenyang University of Technology, Shenyang 110870, China）
关键词:
丁腈橡胶; 碳纳米管; 力学性能; 分子动力学模拟; 增强效应; 手性指数; 恒应变法
Keywords:
nitrile rubber;  carbon nanotube;  mechanical property;  molecular dynamics simulation;  reinforcement effect;  chirality;  constant strain method
分类号:
TQ 330.1＋5
DOI:
10.19908/j.cnki.ISSN1000-1255.2021.06.0443
文献标识码:
A
摘要:
采用Materials Studio分子模拟软件建立了具有不同手性指数和直径的碳纳米管（CNT）/丁腈橡胶（NBR）复合材料的分子模型，同时采用恒应变法对CNT/NBR复合材料的力学性能进行了计算，并研究了CNT的手性指数和直径对CNT/NBR复合材料力学性能的影响。结果表明，相比于扶手椅型CNT和锯齿型CNT，螺旋型CNT对CNT/NBR复合材料力学性能的增强效果最好；随着CNT直径的增加，CNT对CNT/NBR复合材料力学性能的增强效果不断减弱。
Abstract:
Molecular models of nitrile rubber (NBR) composites reinforced by carbon nanotube (CNT) (CNT/NBR composites) with different chirality and diameter were developed using the Materials Studio software, the mechanical properties of CNT/NBR composites were calculated via the constant strain method, and the effects of chirality and diameter of CNT on the mechanical properties of CNT/NBR composites were studied.The results indicated that compared with the armchair CNT and the zigzag CNT, the spiral CNT had the best reinforcement effect on the mechanical properties of CNT/NBR composites.The reinforcement effect of CNT on the mechanical properties of CNT/NBR composites was weakened with the increase of CNT diameter.

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备注/Memo

备注/Memo:
收稿日期：2021-04-08；修订日期：2021-10-01。
作者简介：张晓坤（1995—），男，辽宁沈阳人，硕士研究生。主要从事碳纳米/高分子复合材料力学性能的研究工作。
*通讯联系人。
更新日期/Last Update: 2021-11-10