Rheological and Mechanical Properties of Thermoplastic Crystallizable Polyimide-Based Nanocomposites Filled with Carbon Nanotubes: Computer Simulations and Experiments
Recently, a strong structural ordering of thermoplastic semi-crystalline polyimides near single-walled carbon nanotubes (SWCNTs) was found that can enhance their mechanical properties. In this study, a comparative analysis of the results of microsecond-scale all-atom computer simulations and experim...
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MDPI AG
2022-08-01
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| Series: | Polymers |
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| Online Access: | https://www.mdpi.com/2073-4360/14/15/3154 |
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| author | Victor M. Nazarychev Gleb V. Vaganov Sergey V. Larin Andrey L. Didenko Vladimir Yu. Elokhovskiy Valentin M. Svetlichnyi Vladimir E. Yudin Sergey V. Lyulin |
| author_facet | Victor M. Nazarychev Gleb V. Vaganov Sergey V. Larin Andrey L. Didenko Vladimir Yu. Elokhovskiy Valentin M. Svetlichnyi Vladimir E. Yudin Sergey V. Lyulin |
| author_sort | Victor M. Nazarychev |
| collection | DOAJ |
| description | Recently, a strong structural ordering of thermoplastic semi-crystalline polyimides near single-walled carbon nanotubes (SWCNTs) was found that can enhance their mechanical properties. In this study, a comparative analysis of the results of microsecond-scale all-atom computer simulations and experimental measurements of thermoplastic semi-crystalline polyimide R-BAPB synthesized on the basis of dianhydride R (1,3-bis-(3′,4-dicarboxyphenoxy) benzene) and diamine BAPB (4,4′-bis-(4″-aminophenoxy) biphenyl) near the SWCNTs on the rheological properties of nanocomposites was performed. We observe the viscosity increase in the SWCNT-filled R-BAPB in the melt state both in computer simulations and experiments. For the first time, it is proven by computer simulation that this viscosity change is related to the structural ordering of the R-BAPB in the vicinity of SWCNT but not to the formation of interchain linkage. Additionally, strong anisotropy of the rheological properties of the R-BAPB near the SWCNT surface was detected due to the polyimide chain orientation. The increase in the viscosity of the polymer in the viscous-flow state and an increase in the values of the mechanical characteristics (Young’s modulus and yield peak) of the SWCNT-R-BAPB nanocomposites in the glassy state are stronger in the directions along the ordering of polymer chains close to the carbon nanofiller surface. Thus, the new experimental data obtained on the R-BAPB-based nanocomposites filled with SWCNT, being extensively compared with simulation results, confirm the idea of the influence of macromolecular ordering near the carbon nanotube on the mechanical characteristics of the composite material. |
| first_indexed | 2024-03-09T05:04:12Z |
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| institution | Directory Open Access Journal |
| issn | 2073-4360 |
| language | English |
| last_indexed | 2024-03-09T05:04:12Z |
| publishDate | 2022-08-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Polymers |
| spelling | doaj.art-8b3a3073065648359c0462c04f9d72142023-12-03T12:57:01ZengMDPI AGPolymers2073-43602022-08-011415315410.3390/polym14153154Rheological and Mechanical Properties of Thermoplastic Crystallizable Polyimide-Based Nanocomposites Filled with Carbon Nanotubes: Computer Simulations and ExperimentsVictor M. Nazarychev0Gleb V. Vaganov1Sergey V. Larin2Andrey L. Didenko3Vladimir Yu. Elokhovskiy4Valentin M. Svetlichnyi5Vladimir E. Yudin6Sergey V. Lyulin7Institute of Macromolecular Compounds, Russian Academy of Sciences (IMC RAS), Bolshoi pr. 31 (V.O.), 199004 St. Petersburg, RussiaInstitute of Macromolecular Compounds, Russian Academy of Sciences (IMC RAS), Bolshoi pr. 31 (V.O.), 199004 St. Petersburg, RussiaInstitute of Macromolecular Compounds, Russian Academy of Sciences (IMC RAS), Bolshoi pr. 31 (V.O.), 199004 St. Petersburg, RussiaInstitute of Macromolecular Compounds, Russian Academy of Sciences (IMC RAS), Bolshoi pr. 31 (V.O.), 199004 St. Petersburg, RussiaInstitute of Macromolecular Compounds, Russian Academy of Sciences (IMC RAS), Bolshoi pr. 31 (V.O.), 199004 St. Petersburg, RussiaInstitute of Macromolecular Compounds, Russian Academy of Sciences (IMC RAS), Bolshoi pr. 31 (V.O.), 199004 St. Petersburg, RussiaInstitute of Macromolecular Compounds, Russian Academy of Sciences (IMC RAS), Bolshoi pr. 31 (V.O.), 199004 St. Petersburg, RussiaInstitute of Macromolecular Compounds, Russian Academy of Sciences (IMC RAS), Bolshoi pr. 31 (V.O.), 199004 St. Petersburg, RussiaRecently, a strong structural ordering of thermoplastic semi-crystalline polyimides near single-walled carbon nanotubes (SWCNTs) was found that can enhance their mechanical properties. In this study, a comparative analysis of the results of microsecond-scale all-atom computer simulations and experimental measurements of thermoplastic semi-crystalline polyimide R-BAPB synthesized on the basis of dianhydride R (1,3-bis-(3′,4-dicarboxyphenoxy) benzene) and diamine BAPB (4,4′-bis-(4″-aminophenoxy) biphenyl) near the SWCNTs on the rheological properties of nanocomposites was performed. We observe the viscosity increase in the SWCNT-filled R-BAPB in the melt state both in computer simulations and experiments. For the first time, it is proven by computer simulation that this viscosity change is related to the structural ordering of the R-BAPB in the vicinity of SWCNT but not to the formation of interchain linkage. Additionally, strong anisotropy of the rheological properties of the R-BAPB near the SWCNT surface was detected due to the polyimide chain orientation. The increase in the viscosity of the polymer in the viscous-flow state and an increase in the values of the mechanical characteristics (Young’s modulus and yield peak) of the SWCNT-R-BAPB nanocomposites in the glassy state are stronger in the directions along the ordering of polymer chains close to the carbon nanofiller surface. Thus, the new experimental data obtained on the R-BAPB-based nanocomposites filled with SWCNT, being extensively compared with simulation results, confirm the idea of the influence of macromolecular ordering near the carbon nanotube on the mechanical characteristics of the composite material.https://www.mdpi.com/2073-4360/14/15/3154polyimidessingle-walled carbon nanotubespolymer nanocompositescrystallizationrheological propertiesmechanical properties |
| spellingShingle | Victor M. Nazarychev Gleb V. Vaganov Sergey V. Larin Andrey L. Didenko Vladimir Yu. Elokhovskiy Valentin M. Svetlichnyi Vladimir E. Yudin Sergey V. Lyulin Rheological and Mechanical Properties of Thermoplastic Crystallizable Polyimide-Based Nanocomposites Filled with Carbon Nanotubes: Computer Simulations and Experiments Polymers polyimides single-walled carbon nanotubes polymer nanocomposites crystallization rheological properties mechanical properties |
| title | Rheological and Mechanical Properties of Thermoplastic Crystallizable Polyimide-Based Nanocomposites Filled with Carbon Nanotubes: Computer Simulations and Experiments |
| title_full | Rheological and Mechanical Properties of Thermoplastic Crystallizable Polyimide-Based Nanocomposites Filled with Carbon Nanotubes: Computer Simulations and Experiments |
| title_fullStr | Rheological and Mechanical Properties of Thermoplastic Crystallizable Polyimide-Based Nanocomposites Filled with Carbon Nanotubes: Computer Simulations and Experiments |
| title_full_unstemmed | Rheological and Mechanical Properties of Thermoplastic Crystallizable Polyimide-Based Nanocomposites Filled with Carbon Nanotubes: Computer Simulations and Experiments |
| title_short | Rheological and Mechanical Properties of Thermoplastic Crystallizable Polyimide-Based Nanocomposites Filled with Carbon Nanotubes: Computer Simulations and Experiments |
| title_sort | rheological and mechanical properties of thermoplastic crystallizable polyimide based nanocomposites filled with carbon nanotubes computer simulations and experiments |
| topic | polyimides single-walled carbon nanotubes polymer nanocomposites crystallization rheological properties mechanical properties |
| url | https://www.mdpi.com/2073-4360/14/15/3154 |
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