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GNS-COOH/PEEK/PTFE复合材料力学与摩擦学性能的分子动力学模拟及实验研究

Molecular Dynamics Simulation and Experimental Study of the Mechanical and Tribological Properties of GNS-COOH/PEEK/PTFE Composites.

作者信息

Dong Zhen, Tang Henan, Yang Bin, Wang Shijie, Li Yunlong, Liu Lin

机构信息

School of Mechanical Engineering, Shenyang University of Technology, Shenyang 110870, China.

出版信息

Polymers (Basel). 2024 Sep 11;16(18):2572. doi: 10.3390/polym16182572.

DOI:10.3390/polym16182572
PMID:39339036
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11435391/
Abstract

Molecular dynamics (MD) simulations were first employed to achieve the optimal sintering temperature of carboxyl-functionalized graphene (GNS-COOH)-modified polyether ether ketone (PEEK)/polytetrafluoroethylene (PTFE) composites. A model of GNS-COOH/PEEK/PTFE composites was constructed to simulate the effects of different sintering temperatures on the mechanical and tribological properties, as well as their underlying atomic mechanisms. Samples of PTFE composites were prepared and characterized through experimental methods. Results revealed that the sintering temperature significantly affects the intermolecular forces, mechanical properties, and tribological characteristics of the composites. The agglomeration of the PEEK/PTFE composite matrix was effectively mitigated by introducing GNS-COOH. When the sintering temperature was controlled at 360 °C, the compressive strength of GNS-COOH/PEEK/PTFE composites was improved compared to GNS/PEEK/PTFE composites, albeit with a slight reduction in wear resistance. This study provides a theoretical reference for the preparation process and performance evaluation of new materials.

摘要

首先采用分子动力学（MD）模拟来确定羧基功能化石墨烯（GNS-COOH）改性聚醚醚酮（PEEK）/聚四氟乙烯（PTFE）复合材料的最佳烧结温度。构建了GNS-COOH/PEEK/PTFE复合材料模型，以模拟不同烧结温度对其力学和摩擦学性能的影响及其潜在的原子机制。制备了PTFE复合材料样品并通过实验方法进行表征。结果表明，烧结温度显著影响复合材料的分子间作用力、力学性能和摩擦学特性。引入GNS-COOH有效减轻了PEEK/PTFE复合基体的团聚现象。当烧结温度控制在360℃时，与GNS/PEEK/PTFE复合材料相比，GNS-COOH/PEEK/PTFE复合材料的抗压强度有所提高，尽管耐磨性略有降低。本研究为新材料的制备工艺和性能评价提供了理论参考。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5726/11435391/01f8bc786444/polymers-16-02572-g011.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5726/11435391/1de42fecc911/polymers-16-02572-g001.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5726/11435391/ccb17ae5d6ef/polymers-16-02572-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5726/11435391/cc8b7072c051/polymers-16-02572-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5726/11435391/5af8cad04c12/polymers-16-02572-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5726/11435391/4a015efbfaf2/polymers-16-02572-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5726/11435391/3f9520dbe376/polymers-16-02572-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5726/11435391/eefa8c63f826/polymers-16-02572-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5726/11435391/692a6dd2fffd/polymers-16-02572-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5726/11435391/1dee5dcc334d/polymers-16-02572-g010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5726/11435391/01f8bc786444/polymers-16-02572-g011.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5726/11435391/1de42fecc911/polymers-16-02572-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5726/11435391/6ece151bf60d/polymers-16-02572-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5726/11435391/ccb17ae5d6ef/polymers-16-02572-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5726/11435391/cc8b7072c051/polymers-16-02572-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5726/11435391/5af8cad04c12/polymers-16-02572-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5726/11435391/4a015efbfaf2/polymers-16-02572-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5726/11435391/3f9520dbe376/polymers-16-02572-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5726/11435391/eefa8c63f826/polymers-16-02572-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5726/11435391/692a6dd2fffd/polymers-16-02572-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5726/11435391/1dee5dcc334d/polymers-16-02572-g010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5726/11435391/01f8bc786444/polymers-16-02572-g011.jpg

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