Molecular Simulation and Experimental Study on the Damping and Aging Properties of 4010NA/Hydrogenated Nitrile Butadiene/Nitrile Butadiene Rubber Composites

IF 1.8 4区工程技术 Q3 POLYMER SCIENCE

Macromolecular Theory and Simulations Pub Date : 2023-01-06 DOI:10.1002/mats.202200072

Meng Song, Meng Wang, Chaole Wang, Jihong Song, Yunan Li, Fengyi Cao, Guomin Yu, Qi Qin

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引用次数: 1

Abstract

The effects of N-isopropyl-N′-phenyl-phenylenediamine (4010NA) content on the damping and aging properties of hydrogenated nitrile butadiene rubber (HNBR)/nitrile butadiene rubber (NBR) (abbreviated as H-NBR) matrix are studied via molecular simulation and experiments. The effects of 4010NA addition on the damping and aging properties of H-NBR are analyzed by molecular simulation using solubility parameters (δ), hydrogen bonds, free volume fraction (FFV), binding energy (E_binding), hydrogen bond dissociation energy (ΔG), and mean square displacement (MSD). The damping, mechanical, and thermo-oxygen aging properties of the 4010NA/H-NBR composites are studied experimentally using infrared (FTIR) spectroscopy, X-ray diffraction (XRD), differential scanning calorimetry (DSC), and dynamic mechanical analysis (DMA). The results indicate that 4010NA has good compatibility with HNBR and NBR, and the addition of 4010NA can effectively improve the damping properties of H-NBR. When 4010NA is added at 32 phr, the composite has better damping properties, mechanical properties, and aging resistance, which provides a new insight for the construction of high performance elastomer composites.

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4010NA/氢化丁腈橡胶/丁腈橡胶复合材料阻尼与老化性能的分子模拟与实验研究

通过分子模拟和实验研究了n -异丙基- n′-苯基-苯二胺(4010NA)含量对氢化丁腈橡胶(HNBR)/丁腈橡胶(NBR)(简称H-NBR)基体阻尼和老化性能的影响。采用分子模拟的方法，利用溶解度参数(δ)、氢键、自由体积分数(FFV)、结合能(Ebinding)、氢键解离能(ΔG)和均方位移(MSD)分析了4010NA加入对H-NBR阻尼和老化性能的影响。采用红外光谱(FTIR)、x射线衍射(XRD)、差示扫描量热法(DSC)和动态力学分析(DMA)对4010NA/H-NBR复合材料的阻尼、力学和热氧老化性能进行了实验研究。结果表明，4010NA与HNBR和NBR均具有良好的相容性，加入4010NA可有效改善H-NBR的阻尼性能。在32 phr下添加4010NA时，复合材料具有更好的阻尼性能、力学性能和耐老化性能，为构建高性能弹性体复合材料提供了新的思路。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Macromolecular Theory and Simulations 工程技术-高分子科学

CiteScore

3.00

自引率

14.30%

发文量

审稿时长

2 months

期刊介绍： Macromolecular Theory and Simulations is the only high-quality polymer science journal dedicated exclusively to theory and simulations, covering all aspects from macromolecular theory to advanced computer simulation techniques.