A Study on the Effect and Suppression of Hydrogen Permeation Behavior on the Friction Characteristics of PEEK/PTFE Composites via Molecular Dynamics Simulation
To research the effect of hydrogen permeation on the friction characteristics of the seal materials on the hydrogen equipment, the molecular models of 10% PEEK/PTFE composites and its frictional models were established, respectively, and molecular dynamics (MDs) and giant canonical Monte Carlo (GCMC...
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2024-04-01
|
| Series: | Polymers |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2073-4360/16/7/1000 |
| _version_ | 1797212063009865728 |
|---|---|
| author | Henan Tang Minghui Wang Yunlong Li Yan Wang |
| author_facet | Henan Tang Minghui Wang Yunlong Li Yan Wang |
| author_sort | Henan Tang |
| collection | DOAJ |
| description | To research the effect of hydrogen permeation on the friction characteristics of the seal materials on the hydrogen equipment, the molecular models of 10% PEEK/PTFE composites and its frictional models were established, respectively, and molecular dynamics (MDs) and giant canonical Monte Carlo (GCMC) methods were used to simulate the diffusion coefficient, dissolution coefficient and permeability coefficient of the hydrogen in PEEK/PTFE composites. The effect of a different amount of hydrogen on the friction and wear of PEEK/PTFE composites was also studied. The results showed that few permeations of the hydrogen gas mainly demonstrated having a positive effect on the surface of the PEEK/PTFE composites, and the wear rate of the PEEK/PTFE composites showed a slight decreasing trend. The wear rate of the PEEK/PTFE composites gradually decreased when more hydrogen molecules penetrated the matrix. With the further penetration of the hydrogen molecules, the wear rate and friction coefficient of the PEEK/PTFE composites rapidly increased, showing a negative effect. With the further penetration of the hydrogen molecule, the friction coefficient of the composite displayed a small fluctuation and then a rapid decreasing trend. Meanwhile, effective improvement measures were proposed, and the introduction of the graphene was verified to be effective to reduce the negative effect of the hydrogen permeation, thereby improving the friction performance of the PEEK/PTFE composites. |
| first_indexed | 2024-04-24T10:36:25Z |
| format | Article |
| id | doaj.art-1784b2baca3a451c986baff0629c5752 |
| institution | Directory Open Access Journal |
| issn | 2073-4360 |
| language | English |
| last_indexed | 2024-04-24T10:36:25Z |
| publishDate | 2024-04-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Polymers |
| spelling | doaj.art-1784b2baca3a451c986baff0629c57522024-04-12T13:25:18ZengMDPI AGPolymers2073-43602024-04-01167100010.3390/polym16071000A Study on the Effect and Suppression of Hydrogen Permeation Behavior on the Friction Characteristics of PEEK/PTFE Composites via Molecular Dynamics SimulationHenan Tang0Minghui Wang1Yunlong Li2Yan Wang3School of Mechanical Engineering, Shenyang University of Technology, Shenyang 110870, ChinaSchool of Mechanical Engineering, Shenyang University of Technology, Shenyang 110870, ChinaSchool of Mechanical Engineering, Shenyang University of Technology, Shenyang 110870, ChinaSchool of Mechanical Engineering, Shenyang University of Technology, Shenyang 110870, ChinaTo research the effect of hydrogen permeation on the friction characteristics of the seal materials on the hydrogen equipment, the molecular models of 10% PEEK/PTFE composites and its frictional models were established, respectively, and molecular dynamics (MDs) and giant canonical Monte Carlo (GCMC) methods were used to simulate the diffusion coefficient, dissolution coefficient and permeability coefficient of the hydrogen in PEEK/PTFE composites. The effect of a different amount of hydrogen on the friction and wear of PEEK/PTFE composites was also studied. The results showed that few permeations of the hydrogen gas mainly demonstrated having a positive effect on the surface of the PEEK/PTFE composites, and the wear rate of the PEEK/PTFE composites showed a slight decreasing trend. The wear rate of the PEEK/PTFE composites gradually decreased when more hydrogen molecules penetrated the matrix. With the further penetration of the hydrogen molecules, the wear rate and friction coefficient of the PEEK/PTFE composites rapidly increased, showing a negative effect. With the further penetration of the hydrogen molecule, the friction coefficient of the composite displayed a small fluctuation and then a rapid decreasing trend. Meanwhile, effective improvement measures were proposed, and the introduction of the graphene was verified to be effective to reduce the negative effect of the hydrogen permeation, thereby improving the friction performance of the PEEK/PTFE composites.https://www.mdpi.com/2073-4360/16/7/1000molecular dynamicshydrogenpolytetrafluoroethylenepolyether-ether-ketonegas permeationgraphene |
| spellingShingle | Henan Tang Minghui Wang Yunlong Li Yan Wang A Study on the Effect and Suppression of Hydrogen Permeation Behavior on the Friction Characteristics of PEEK/PTFE Composites via Molecular Dynamics Simulation Polymers molecular dynamics hydrogen polytetrafluoroethylene polyether-ether-ketone gas permeation graphene |
| title | A Study on the Effect and Suppression of Hydrogen Permeation Behavior on the Friction Characteristics of PEEK/PTFE Composites via Molecular Dynamics Simulation |
| title_full | A Study on the Effect and Suppression of Hydrogen Permeation Behavior on the Friction Characteristics of PEEK/PTFE Composites via Molecular Dynamics Simulation |
| title_fullStr | A Study on the Effect and Suppression of Hydrogen Permeation Behavior on the Friction Characteristics of PEEK/PTFE Composites via Molecular Dynamics Simulation |
| title_full_unstemmed | A Study on the Effect and Suppression of Hydrogen Permeation Behavior on the Friction Characteristics of PEEK/PTFE Composites via Molecular Dynamics Simulation |
| title_short | A Study on the Effect and Suppression of Hydrogen Permeation Behavior on the Friction Characteristics of PEEK/PTFE Composites via Molecular Dynamics Simulation |
| title_sort | study on the effect and suppression of hydrogen permeation behavior on the friction characteristics of peek ptfe composites via molecular dynamics simulation |
| topic | molecular dynamics hydrogen polytetrafluoroethylene polyether-ether-ketone gas permeation graphene |
| url | https://www.mdpi.com/2073-4360/16/7/1000 |
| work_keys_str_mv | AT henantang astudyontheeffectandsuppressionofhydrogenpermeationbehavioronthefrictioncharacteristicsofpeekptfecompositesviamoleculardynamicssimulation AT minghuiwang astudyontheeffectandsuppressionofhydrogenpermeationbehavioronthefrictioncharacteristicsofpeekptfecompositesviamoleculardynamicssimulation AT yunlongli astudyontheeffectandsuppressionofhydrogenpermeationbehavioronthefrictioncharacteristicsofpeekptfecompositesviamoleculardynamicssimulation AT yanwang astudyontheeffectandsuppressionofhydrogenpermeationbehavioronthefrictioncharacteristicsofpeekptfecompositesviamoleculardynamicssimulation AT henantang studyontheeffectandsuppressionofhydrogenpermeationbehavioronthefrictioncharacteristicsofpeekptfecompositesviamoleculardynamicssimulation AT minghuiwang studyontheeffectandsuppressionofhydrogenpermeationbehavioronthefrictioncharacteristicsofpeekptfecompositesviamoleculardynamicssimulation AT yunlongli studyontheeffectandsuppressionofhydrogenpermeationbehavioronthefrictioncharacteristicsofpeekptfecompositesviamoleculardynamicssimulation AT yanwang studyontheeffectandsuppressionofhydrogenpermeationbehavioronthefrictioncharacteristicsofpeekptfecompositesviamoleculardynamicssimulation |