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

期数:

2024年3期

页码:

268

栏目:

出版日期:

2024-05-15

文章信息/Info

Title:

Effect of epichlorohydrin-modified Kevlar nanofibres on thermodynamic properties of different rubbers: Experiment and molecular simulation

文章编号:

1000-1255（2024）03-0262-06

作者:

徐颖淑1; 王 晶1; 2; Amel Mohamed1; 陈梦寒1; 杨子凡1; 贾红兵1

1. 南京理工大学 化学与化工学院，南京 210094; 2. 常州机电职业技术学院 模具技术学院，江苏 常州 213164

Author(s):

XU Ying-shu1;  WANG Jing1; 2;  Amel Mohamed1;  CHEN Meng-han1;  YANG Zi-fan1;  JIA Hong-bing1*

（1. School of Chemistry and Chemical Engineering, Nanjing University of Science and Technology, Nanjing 210094, China; 2. Institute of Mold Technology, Changzhou Vocational Institute of Mechatronic Technology, Changzhou 213164, China）

关键词:

环氧氯丙烷; Kevlar纳米纤维; 丁苯橡胶; 羧基丁腈橡胶; 分子模拟; 热力学性能; 均方位移

Keywords:

-

分类号:

-

DOI:

DOI:10.19908/j.cnki.ISSN1000-1255.2024.03.0268

文献标识码:

-

摘要:

使用环氧氯丙烷对Kevlar纳米纤维（KNFs）进行改性，然后用环氧氯丙烷改性Kevlar纳米纤维（m-KNFs）分别对丁苯橡胶（SBR）和羧基丁腈橡胶（XNBR）及SBR/XNBR进行增强，并通过实验与分子模拟相结合的方式探究了3种纳米复合材料的热力学性能。结果表明，m-KNFs对SBR、XNBR和SBR/XNBR均有很好的增强效果，其中m-KNFs与XNBR基体之间的作用最强，m-KNFs可以有效改善XNBR与SBR的相容性。

Abstract:

Poly(p-phenylene terephthalamide) was a high-performance polymer known by its trade name Kevlar［1］. Kevlar nanofibers (KNFs) had reinforcing effect on rubber due to its high strength, high modulus, and excellent thermal and chemical stability［2］. The poor interfacial adhesion between the Kevlar fibres and the matrix limited the overall performance of the composite to a large extent. Thus, epichlorohydrin was used to modify KNFs and investigate the reinforcing effect of epichlorohydrin-modified KNFs(m-KNFs)with different rubber-rubber matrices.　With the development of computer technology and nanotechnology, molecular dynamics (MD) simulation was considered to be an effective method to obtain detailed information of interfacial interactions, and could explain the macroscopic performance differences of polymers through simulation calculations at the molecular level. Herewith we built 3 systems of m-KNFs/carboxy terminated nitrile rubber (XNBR), m-KNFs/styrene-butadiene rubber (SBR), and m-KNFs/SBR/XNBR and studied the enhancement mechanism of mechanical properties of m-KNFs on XNBR, SBR, and SBR/XNBR by combining experiment with MD simulation. The typical formulation of nanocomposites was rubber 100 phr (mass, similarly hereinafter), m-KNFs 5 phr, ZnO 2 phr, stearic acid 2.4 phr, accelerator CZ 2.2 phr, and sulfur 1.5 phr.　In MD simulation, mean square displacement (MSD) was calculated through equation (1)［3］: ■(1)where ri(0) and ri(t) were the positions of particle i at the initial and t moment, respectively; N was the total number of atoms in the selected molecules of the system; < > was the average of squared atomic displacements. MSD of m-KNFs/XNBR, m-KNFs/SBR, and m-KNFs/SBR/XNBR nanocomposites were calculated using MD simulation and the results were shown in Fig 1. According to the definition, the decreasing MSD indica-ted that interfacial interactions limited the molecular mobility of the different structures in the interfacial layer, which indicated stronger interfacial interactions. It could be found that the MSD values of m-KNFs/XNBR system were much lower than those of m-KNFs/SBR and m-KNFs/SBR/XNBR systems. This phenomenon indicated that the stronger interaction between m-KNFs and XNBR matrix made the rubber chains of the composite system much more bounded. It could also be found from Fig 1 that compared with the pure rubber, m-KNFs/rubber nanocomposite had an increasing storage modulus (E′) and a decreasing loss factor (tan δ). For the m-KNFs/XNBR/SBR system, the XNBR/SBR blended rubber had two glass transition temperatures(Tg), located at -50.1 ℃ and -2.6 ℃, corresponding to the Tg of the SBR phase and the XNBR phase, which indicated that SBR and XNBR were incompatible. After the addition of m-KNFs, the Tg belonging to the SBR and XNBR phases were close to each other, which indicated that m-KNFs improved effectively the compatibility of SBR with XNBR.

参考文献/References

［1］ Wang Fang, Wu Yadong, Huang Yudong. High strength, thermostable and fast-drying hybrid transparent membranes with POSS nanoparticles aligned on aramid nanofibers［J］. Composites （Part A): Applied Science and Manufacturing, 2018, 110: 154-161.［2］ Guan Yu, Li Wang, Zhang Yuliang, et al. Aramid nanofibers and poly （vinyl alcohol) nanocomposites for ideal combination of strength and toughness via hydrogen bonding interactions［J］. Composites Science and Technology, 2017, 144: 193-201.［3］ Tan Jinghua, Chen Chenliang, Liu Yiwu, et al. Molecular si-mulations of gas transport in hydrogenated nitrile butadiene rubber and ethylene-propylene-diene rubber［J］. RSC Advances, 2020, 10（21): 12475-12484.

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