Study of Interface Adhesion Between Polyurethane and Aggregate Based on Surface Free Energy Theory and Molecular Dynamics Simulation
In order to eliminate the negative effects caused by traditional pavements, permeable pavements are gradually being used in road construction. In recent years, polyurethane (PU) has been used as a new binder in permeable pavement mixtures. However, compared to traditional pavement mixtures, the adhe...
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2025-01-01
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| author | Zengping Zhang Jiajun Ji Xue Li Zhongbao Shi Junjie Wang |
| author_facet | Zengping Zhang Jiajun Ji Xue Li Zhongbao Shi Junjie Wang |
| author_sort | Zengping Zhang |
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| description | In order to eliminate the negative effects caused by traditional pavements, permeable pavements are gradually being used in road construction. In recent years, polyurethane (PU) has been used as a new binder in permeable pavement mixtures. However, compared to traditional pavement mixtures, the adhesion properties between PU and aggregate have not been systematically analyzed. In addition, no clear standards have been established for the performance testing of PU mixtures, posing significant challenges for the selection of materials and the optimization of formulations for PU mixtures. Therefore, this paper proposes new methods for evaluating the performance of PU mixtures from a microscopic point of view, aiming at evaluating the adhesion properties between PU and aggregates. In this study, a PU binder was synthesized. The adhesion properties of this PU binder with aggregate were evaluated by surface free energy measurement and molecular dynamics (MD) simulation. Finally, the effects of different environmental conditions and aggregate types on the PU–aggregate adhesion properties were investigated. The results showed that the adhesion between PU and basalt is consistently better than that with limestone, although the adhesion between PU and aggregate decreased under acidic conditions. It implies that the PU–basalt mixture has better water resistance than the PU–limestone mixture. Furthermore, the results of the surface free energy measurements and MD simulations for the evaluation of adhesion at the PU–aggregate interface showed good correlation with the macroscopic performance experiments, which can be extended to the study of the adhesion properties of other materials. |
| format | Article |
| id | doaj-art-bd94b73c9a954101aae075d28fcb08e2 |
| institution | Kabale University |
| issn | 2076-3417 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Applied Sciences |
| spelling | doaj-art-bd94b73c9a954101aae075d28fcb08e22025-01-24T13:20:02ZengMDPI AGApplied Sciences2076-34172025-01-0115260610.3390/app15020606Study of Interface Adhesion Between Polyurethane and Aggregate Based on Surface Free Energy Theory and Molecular Dynamics SimulationZengping Zhang0Jiajun Ji1Xue Li2Zhongbao Shi3Junjie Wang4Key Laboratory for Special Area Highway Engineering of Ministry of Education, Chang’an University, Xi’an 710064, ChinaKey Laboratory for Special Area Highway Engineering of Ministry of Education, Chang’an University, Xi’an 710064, ChinaMount Taishan Traffic Planning & Design Consulting Co., Ltd., Tai’an 271000, ChinaKey Laboratory for Special Area Highway Engineering of Ministry of Education, Chang’an University, Xi’an 710064, ChinaKey Laboratory for Special Area Highway Engineering of Ministry of Education, Chang’an University, Xi’an 710064, ChinaIn order to eliminate the negative effects caused by traditional pavements, permeable pavements are gradually being used in road construction. In recent years, polyurethane (PU) has been used as a new binder in permeable pavement mixtures. However, compared to traditional pavement mixtures, the adhesion properties between PU and aggregate have not been systematically analyzed. In addition, no clear standards have been established for the performance testing of PU mixtures, posing significant challenges for the selection of materials and the optimization of formulations for PU mixtures. Therefore, this paper proposes new methods for evaluating the performance of PU mixtures from a microscopic point of view, aiming at evaluating the adhesion properties between PU and aggregates. In this study, a PU binder was synthesized. The adhesion properties of this PU binder with aggregate were evaluated by surface free energy measurement and molecular dynamics (MD) simulation. Finally, the effects of different environmental conditions and aggregate types on the PU–aggregate adhesion properties were investigated. The results showed that the adhesion between PU and basalt is consistently better than that with limestone, although the adhesion between PU and aggregate decreased under acidic conditions. It implies that the PU–basalt mixture has better water resistance than the PU–limestone mixture. Furthermore, the results of the surface free energy measurements and MD simulations for the evaluation of adhesion at the PU–aggregate interface showed good correlation with the macroscopic performance experiments, which can be extended to the study of the adhesion properties of other materials.https://www.mdpi.com/2076-3417/15/2/606polyurethaneaggregateadhesion propertiessurface free energymolecular dynamics simulation |
| spellingShingle | Zengping Zhang Jiajun Ji Xue Li Zhongbao Shi Junjie Wang Study of Interface Adhesion Between Polyurethane and Aggregate Based on Surface Free Energy Theory and Molecular Dynamics Simulation Applied Sciences polyurethane aggregate adhesion properties surface free energy molecular dynamics simulation |
| title | Study of Interface Adhesion Between Polyurethane and Aggregate Based on Surface Free Energy Theory and Molecular Dynamics Simulation |
| title_full | Study of Interface Adhesion Between Polyurethane and Aggregate Based on Surface Free Energy Theory and Molecular Dynamics Simulation |
| title_fullStr | Study of Interface Adhesion Between Polyurethane and Aggregate Based on Surface Free Energy Theory and Molecular Dynamics Simulation |
| title_full_unstemmed | Study of Interface Adhesion Between Polyurethane and Aggregate Based on Surface Free Energy Theory and Molecular Dynamics Simulation |
| title_short | Study of Interface Adhesion Between Polyurethane and Aggregate Based on Surface Free Energy Theory and Molecular Dynamics Simulation |
| title_sort | study of interface adhesion between polyurethane and aggregate based on surface free energy theory and molecular dynamics simulation |
| topic | polyurethane aggregate adhesion properties surface free energy molecular dynamics simulation |
| url | https://www.mdpi.com/2076-3417/15/2/606 |
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