Study on the Compatibility of SBR and Asphalt Base Based on Molecular Simulation
In the field of highway construction, the application of styrene–butadiene rubber (SBR)-modified asphalt has gained popularity across different levels of road surfaces. A crucial aspect in ensuring the efficacy of this modification lies in the compatibility between SBR and the matrix asphalt. To add...
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| Format: | Article |
| Language: | English |
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MDPI AG
2024-03-01
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| Series: | Materials |
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| Online Access: | https://www.mdpi.com/1996-1944/17/5/1175 |
| _version_ | 1797264206980972544 |
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| author | Xiaolei Jiao Dandan Huang Song Zhao Jian Ouyang |
| author_facet | Xiaolei Jiao Dandan Huang Song Zhao Jian Ouyang |
| author_sort | Xiaolei Jiao |
| collection | DOAJ |
| description | In the field of highway construction, the application of styrene–butadiene rubber (SBR)-modified asphalt has gained popularity across different levels of road surfaces. A crucial aspect in ensuring the efficacy of this modification lies in the compatibility between SBR and the matrix asphalt. To address this, the current study utilizes molecular dynamics simulation as a technique. By establishing a model for the SBR-modified asphalt mixture, the research quantifies the compatibility level between the SBR modifier and the asphalt. The aim is to uncover the underlying mechanisms of compatibility between the SBR modifier and the base asphalt, ultimately contributing to the improvement of the storage stability of SBR-modified asphalt, which holds significant importance. The investigation began with the creation of models for both the base asphalt and the SBR modifier. A model for the SBR-modified asphalt blending system was then formulated based on these initial models. After undergoing geometry optimization and annealing procedures, the model attained its lowest energy state, providing a reliable basis for examining the performance of SBR-modified asphalt. The study proceeded to calculate solubility parameters and interaction energies of the system to evaluate the compatibility between the SBR modifier and the base asphalt at various temperatures. The analysis of these parameters shed light on the compatibility mechanism between the two components. Notably, it was found that at a temperature of 160 ℃, the compatibility was significantly enhanced. The findings were further corroborated through scanning electron microscope and rheological tests. The outcomes of this research offer theoretical guidance for the application of SBR-modified asphalt. |
| first_indexed | 2024-04-25T00:25:13Z |
| format | Article |
| id | doaj.art-3a0af0d7587244bbbbe1c4ad6253630b |
| institution | Directory Open Access Journal |
| issn | 1996-1944 |
| language | English |
| last_indexed | 2024-04-25T00:25:13Z |
| publishDate | 2024-03-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Materials |
| spelling | doaj.art-3a0af0d7587244bbbbe1c4ad6253630b2024-03-12T16:49:32ZengMDPI AGMaterials1996-19442024-03-01175117510.3390/ma17051175Study on the Compatibility of SBR and Asphalt Base Based on Molecular SimulationXiaolei Jiao0Dandan Huang1Song Zhao2Jian Ouyang3Tianjin Highway Development Service Center, Tianjin 300170, ChinaTianjin GUOTENG Highway Consultation & PROJECT Management CO., Ltd., Tianjin 300170, ChinaSchool of Civil Engineering and Transportation, Northeast Forestry University, Harbin 150040, ChinaSchool of Civil Engineering and Architecture, Hainan University, Haikou 570228, ChinaIn the field of highway construction, the application of styrene–butadiene rubber (SBR)-modified asphalt has gained popularity across different levels of road surfaces. A crucial aspect in ensuring the efficacy of this modification lies in the compatibility between SBR and the matrix asphalt. To address this, the current study utilizes molecular dynamics simulation as a technique. By establishing a model for the SBR-modified asphalt mixture, the research quantifies the compatibility level between the SBR modifier and the asphalt. The aim is to uncover the underlying mechanisms of compatibility between the SBR modifier and the base asphalt, ultimately contributing to the improvement of the storage stability of SBR-modified asphalt, which holds significant importance. The investigation began with the creation of models for both the base asphalt and the SBR modifier. A model for the SBR-modified asphalt blending system was then formulated based on these initial models. After undergoing geometry optimization and annealing procedures, the model attained its lowest energy state, providing a reliable basis for examining the performance of SBR-modified asphalt. The study proceeded to calculate solubility parameters and interaction energies of the system to evaluate the compatibility between the SBR modifier and the base asphalt at various temperatures. The analysis of these parameters shed light on the compatibility mechanism between the two components. Notably, it was found that at a temperature of 160 ℃, the compatibility was significantly enhanced. The findings were further corroborated through scanning electron microscope and rheological tests. The outcomes of this research offer theoretical guidance for the application of SBR-modified asphalt.https://www.mdpi.com/1996-1944/17/5/1175molecular dynamicscompatibilitysolubility parametersmodified asphalt |
| spellingShingle | Xiaolei Jiao Dandan Huang Song Zhao Jian Ouyang Study on the Compatibility of SBR and Asphalt Base Based on Molecular Simulation Materials molecular dynamics compatibility solubility parameters modified asphalt |
| title | Study on the Compatibility of SBR and Asphalt Base Based on Molecular Simulation |
| title_full | Study on the Compatibility of SBR and Asphalt Base Based on Molecular Simulation |
| title_fullStr | Study on the Compatibility of SBR and Asphalt Base Based on Molecular Simulation |
| title_full_unstemmed | Study on the Compatibility of SBR and Asphalt Base Based on Molecular Simulation |
| title_short | Study on the Compatibility of SBR and Asphalt Base Based on Molecular Simulation |
| title_sort | study on the compatibility of sbr and asphalt base based on molecular simulation |
| topic | molecular dynamics compatibility solubility parameters modified asphalt |
| url | https://www.mdpi.com/1996-1944/17/5/1175 |
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