A comparative study of the effect of carbon nanomaterials on the thermophysical and mechanical properties of perfluoroelastomers: molecular dynamics simulation.
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| Title: | A comparative study of the effect of carbon nanomaterials on the thermophysical and mechanical properties of perfluoroelastomers: molecular dynamics simulation. |
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| Authors: | Zhao, Jing1 (AUTHOR) zhaojing@sut.edu.cn, Qu, Dianhong1 (AUTHOR), Jin, Shengbo1 (AUTHOR), Yang, Yadi1 (AUTHOR), Wang, Tianming1 (AUTHOR) |
| Source: | Journal of Polymer Research. May2025, Vol. 32 Issue 5, p1-17. 17p. |
| Subjects: | Radial distribution function, Thermophysical properties, Glass transition temperature, Carbon nanotubes, Molecular dynamics |
| Abstract: | This study employs perfluoroelastomers (FFKM) as the matrix material, with graphene, carbon nanotubes, hydroxyl-functionalized graphene (OH-GNS), and hydroxyl-functionalized carbon nanotubes as reinforcing fillers. Utilizing molecular dynamics (MD) simulation methods, the influences of diverse carbon nanomaterials on the thermophysical and mechanical properties of FFKM were thoroughly examined. Based on Fourier's law, thermal conductivity within the composite system was calculated using the reverse non-equilibrium method; the thermal expansion coefficient was determined through the volumetric expansion method, and the glass transition temperature was ascertained using the specific volume method. The mechanical properties of the composites were evaluated using the constant strain rate method. MD simulation results indicate that incorporating carbon nanomaterials significantly enhances both the thermophysical and mechanical properties of FFKM. Among the four sorts of nanofillers studied, OH-GNS exhibited the most prominent improvement. By analyzing the mean squared displacement and radial distribution function of different composite systems from a spatial structure perspective, as well as the system potential energy and interaction energy between the matrix and fillers from an energetic perspective, this study elucidates the differing mechanisms by which diverse carbon nanomaterials affect the thermophysical and mechanical properties of FFKM. [ABSTRACT FROM AUTHOR] |
| Copyright of Journal of Polymer Research is the property of Springer Nature and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) | |
| Database: | Engineering Source |
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| Header | DbId: egs DbLabel: Engineering Source An: 185446781 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: A comparative study of the effect of carbon nanomaterials on the thermophysical and mechanical properties of perfluoroelastomers: molecular dynamics simulation. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Zhao%2C+Jing%22">Zhao, Jing</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> zhaojing@sut.edu.cn</i><br /><searchLink fieldCode="AR" term="%22Qu%2C+Dianhong%22">Qu, Dianhong</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Jin%2C+Shengbo%22">Jin, Shengbo</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Yang%2C+Yadi%22">Yang, Yadi</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Wang%2C+Tianming%22">Wang, Tianming</searchLink><relatesTo>1</relatesTo> (AUTHOR) – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Journal+of+Polymer+Research%22">Journal of Polymer Research</searchLink>. May2025, Vol. 32 Issue 5, p1-17. 17p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Radial+distribution+function%22">Radial distribution function</searchLink><br /><searchLink fieldCode="DE" term="%22Thermophysical+properties%22">Thermophysical properties</searchLink><br /><searchLink fieldCode="DE" term="%22Glass+transition+temperature%22">Glass transition temperature</searchLink><br /><searchLink fieldCode="DE" term="%22Carbon+nanotubes%22">Carbon nanotubes</searchLink><br /><searchLink fieldCode="DE" term="%22Molecular+dynamics%22">Molecular dynamics</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: This study employs perfluoroelastomers (FFKM) as the matrix material, with graphene, carbon nanotubes, hydroxyl-functionalized graphene (OH-GNS), and hydroxyl-functionalized carbon nanotubes as reinforcing fillers. Utilizing molecular dynamics (MD) simulation methods, the influences of diverse carbon nanomaterials on the thermophysical and mechanical properties of FFKM were thoroughly examined. Based on Fourier's law, thermal conductivity within the composite system was calculated using the reverse non-equilibrium method; the thermal expansion coefficient was determined through the volumetric expansion method, and the glass transition temperature was ascertained using the specific volume method. The mechanical properties of the composites were evaluated using the constant strain rate method. MD simulation results indicate that incorporating carbon nanomaterials significantly enhances both the thermophysical and mechanical properties of FFKM. Among the four sorts of nanofillers studied, OH-GNS exhibited the most prominent improvement. By analyzing the mean squared displacement and radial distribution function of different composite systems from a spatial structure perspective, as well as the system potential energy and interaction energy between the matrix and fillers from an energetic perspective, this study elucidates the differing mechanisms by which diverse carbon nanomaterials affect the thermophysical and mechanical properties of FFKM. [ABSTRACT FROM AUTHOR] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of Journal of Polymer Research is the property of Springer Nature and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.) |
| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=egs&AN=185446781 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1007/s10965-025-04406-z Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 17 StartPage: 1 Subjects: – SubjectFull: Radial distribution function Type: general – SubjectFull: Thermophysical properties Type: general – SubjectFull: Glass transition temperature Type: general – SubjectFull: Carbon nanotubes Type: general – SubjectFull: Molecular dynamics Type: general Titles: – TitleFull: A comparative study of the effect of carbon nanomaterials on the thermophysical and mechanical properties of perfluoroelastomers: molecular dynamics simulation. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Zhao, Jing – PersonEntity: Name: NameFull: Qu, Dianhong – PersonEntity: Name: NameFull: Jin, Shengbo – PersonEntity: Name: NameFull: Yang, Yadi – PersonEntity: Name: NameFull: Wang, Tianming IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 05 Text: May2025 Type: published Y: 2025 Identifiers: – Type: issn-print Value: 10229760 Numbering: – Type: volume Value: 32 – Type: issue Value: 5 Titles: – TitleFull: Journal of Polymer Research Type: main |
| ResultId | 1 |
