journal article·2025-01-27Open access

Nano-Interaction Mechanism Between Crumb Rubber and Asphalt Components: A Molecular Dynamic Study

Jian Li, Liang He

Applied Sciences· Volume 15· Issue 3

Abstract

Asphalt modified with treated waste tires has good environmental protection and application value. However, the nano-interaction mechanism of crumb rubber (CR) and asphalt (especially its components) is unclear. In this study, molecular models of asphalt, asphalt components, CR, and CR-modified asphalt (CRMA) were constructed by molecular dynamics (MD) simulation. The validity of the model construction and parameter setting was verified by multiple indexes. The influence mechanism of CRMA density, asphalt-CR compatibility, mechanical indexes, and binding energy under the influence of temperature, CR dosage, and other factors was systematically analyzed. Results showed that the optimum temperature for preparing and storing to prevent segregation did not coincide. The solubility parameters (SP) prediction model of the asphalt’s four components was obtained based on the multiple linear regression method. CR could enhance the mechanical properties of asphalt, but the improvement was limited to small dosages. Increasing the dosage can enhance the mechanical properties of asphalt; the mechanical properties can be significantly improved in medium- and high-temperature conditions. Bulk modulus and shear modulus were recommended for preferential analysis of the mechanical properties of CRMA. It is recommended that the optimal dosage be 20%.
Source: crossref · Quality: baseline

Research context

OpenAlex topics: Asphalt Pavement Performance Evaluation · Infrastructure Maintenance and Monitoring · Natural Fiber Reinforced Composites

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

School of Civil Engineering, Chongqing Jiaotong University, Chongqing 400074, China

School of Road and Bridge Engineering, Guangxi Transport Vocational and Technical College, Nanning 530023, China

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