Curing and Molecular Dynamics Simulation of MXene/Phenolic Epoxy Composites with Different Amine Curing Agent Systems
Herein, the curing kinetics and the glass transition temperature (<i>T<sub>g</sub></i>) of MXene/phenolic epoxy composites with two curing agents, i.e., 4,4-diaminodiphenyl sulfone (DDS) and dicyandiamine (DICY), are systematically investigated using experimental characteriza...
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MDPI AG
2022-06-01
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| Series: | Nanomaterials |
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| Online Access: | https://www.mdpi.com/2079-4991/12/13/2249 |
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| author | Rui Cai Jinlong Zhao Naixin Lv Anqing Fu Chengxian Yin Chengjun Song Min Chao |
| author_facet | Rui Cai Jinlong Zhao Naixin Lv Anqing Fu Chengxian Yin Chengjun Song Min Chao |
| author_sort | Rui Cai |
| collection | DOAJ |
| description | Herein, the curing kinetics and the glass transition temperature (<i>T<sub>g</sub></i>) of MXene/phenolic epoxy composites with two curing agents, i.e., 4,4-diaminodiphenyl sulfone (DDS) and dicyandiamine (DICY), are systematically investigated using experimental characterization, mathematical modeling and molecular dynamics simulations. The effect of MXene content on an epoxy resin/amine curing agent system is also studied. These results reveal that the MXene/epoxy composites with both curing agent systems conform to the SB(m,n) two-parameter autocatalytic model. The addition of MXene accelerated the curing of the epoxy composite and increased the <i>T<sub>g</sub></i> by about 20 K. In addition, molecular dynamics were used to simulate the <i>T<sub>g</sub></i> of the cross-linked MXene/epoxy composites and to analyze microstructural features such as the free volume fraction (<i>FFV</i>). The simulation results show that the introduction of MXene improves the <i>T<sub>g</sub></i> and <i>FFV</i> of the simulated system. This is because the introduction of MXene restricts the movement of the epoxy/curing agent system. The conclusions are in good agreement with the experimental results. |
| first_indexed | 2024-03-09T03:59:23Z |
| format | Article |
| id | doaj.art-51a603d5224d4adab84a0de5e2931266 |
| institution | Directory Open Access Journal |
| issn | 2079-4991 |
| language | English |
| last_indexed | 2024-03-09T03:59:23Z |
| publishDate | 2022-06-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Nanomaterials |
| spelling | doaj.art-51a603d5224d4adab84a0de5e29312662023-12-03T14:15:11ZengMDPI AGNanomaterials2079-49912022-06-011213224910.3390/nano12132249Curing and Molecular Dynamics Simulation of MXene/Phenolic Epoxy Composites with Different Amine Curing Agent SystemsRui Cai0Jinlong Zhao1Naixin Lv2Anqing Fu3Chengxian Yin4Chengjun Song5Min Chao6State Key Laboratory for Performance and Structure Safety of Petroleum Tubular Goods and Equipment Materials, CNPC Tubular Goods Research Institute, Xi’an 710077, ChinaPetrochina Jidong Oilfield Company, Tangshan 063004, ChinaState Key Laboratory for Performance and Structure Safety of Petroleum Tubular Goods and Equipment Materials, CNPC Tubular Goods Research Institute, Xi’an 710077, ChinaState Key Laboratory for Performance and Structure Safety of Petroleum Tubular Goods and Equipment Materials, CNPC Tubular Goods Research Institute, Xi’an 710077, ChinaState Key Laboratory for Performance and Structure Safety of Petroleum Tubular Goods and Equipment Materials, CNPC Tubular Goods Research Institute, Xi’an 710077, ChinaPolymer Materials & Engineering Department, School of Materials Science & Engineering, Chang’an University, Xi’an 710064, ChinaPolymer Materials & Engineering Department, School of Materials Science & Engineering, Chang’an University, Xi’an 710064, ChinaHerein, the curing kinetics and the glass transition temperature (<i>T<sub>g</sub></i>) of MXene/phenolic epoxy composites with two curing agents, i.e., 4,4-diaminodiphenyl sulfone (DDS) and dicyandiamine (DICY), are systematically investigated using experimental characterization, mathematical modeling and molecular dynamics simulations. The effect of MXene content on an epoxy resin/amine curing agent system is also studied. These results reveal that the MXene/epoxy composites with both curing agent systems conform to the SB(m,n) two-parameter autocatalytic model. The addition of MXene accelerated the curing of the epoxy composite and increased the <i>T<sub>g</sub></i> by about 20 K. In addition, molecular dynamics were used to simulate the <i>T<sub>g</sub></i> of the cross-linked MXene/epoxy composites and to analyze microstructural features such as the free volume fraction (<i>FFV</i>). The simulation results show that the introduction of MXene improves the <i>T<sub>g</sub></i> and <i>FFV</i> of the simulated system. This is because the introduction of MXene restricts the movement of the epoxy/curing agent system. The conclusions are in good agreement with the experimental results.https://www.mdpi.com/2079-4991/12/13/2249MXeneepoxy resinamine curing agentcuring kineticsmolecular dynamic simulationsnon-isothermal DSC |
| spellingShingle | Rui Cai Jinlong Zhao Naixin Lv Anqing Fu Chengxian Yin Chengjun Song Min Chao Curing and Molecular Dynamics Simulation of MXene/Phenolic Epoxy Composites with Different Amine Curing Agent Systems Nanomaterials MXene epoxy resin amine curing agent curing kinetics molecular dynamic simulations non-isothermal DSC |
| title | Curing and Molecular Dynamics Simulation of MXene/Phenolic Epoxy Composites with Different Amine Curing Agent Systems |
| title_full | Curing and Molecular Dynamics Simulation of MXene/Phenolic Epoxy Composites with Different Amine Curing Agent Systems |
| title_fullStr | Curing and Molecular Dynamics Simulation of MXene/Phenolic Epoxy Composites with Different Amine Curing Agent Systems |
| title_full_unstemmed | Curing and Molecular Dynamics Simulation of MXene/Phenolic Epoxy Composites with Different Amine Curing Agent Systems |
| title_short | Curing and Molecular Dynamics Simulation of MXene/Phenolic Epoxy Composites with Different Amine Curing Agent Systems |
| title_sort | curing and molecular dynamics simulation of mxene phenolic epoxy composites with different amine curing agent systems |
| topic | MXene epoxy resin amine curing agent curing kinetics molecular dynamic simulations non-isothermal DSC |
| url | https://www.mdpi.com/2079-4991/12/13/2249 |
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