首页|基于分子动力学的废植物油再生沥青扩散行为研究

基于分子动力学的废植物油再生沥青扩散行为研究

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为研究不同废植物油掺配量、扩散温度及时间对废植物油与老化沥青相互扩散行为的影响,提出了考虑沥青老化程度随沥青膜深度变化的三层分子扩散模型,并结合傅里叶红外光谱(FTIR)测试及宏观尺度的软化点试验,分析废植物油再生剂与老化沥青之间的相互扩散行为。结果表明:废植物油再生剂通过补充老化沥青中的轻质组分、减少沥青质的团聚从而实现老化沥青的再生。温度的升高、废植物油掺量及扩散时间的增加均会增强废植物油与老化沥青的相互扩散效率,其中温度的影响最为显著;但随着温度增高,其对于扩散效率的增幅程度降低。皮尔逊相关性分析结果显示,模拟与宏观之间扩散系数相关性显著,三层分子扩散模型能够有效表征再生剂与老化沥青的相互扩散行为。
Diffusion behavior of waste vegetable oil recycled asphalt based on molecular dynamics
In order to study the effects of different amounts of waste vegetable oil,diffusion temperature and time on the mutual diffusion behavior between waste vegetable oil and aged asphalt,a three-layer mo-lecular diffusion model considering the change of asphalt aging degree with the depth of asphalt film was proposed.Combined with Fourier transform infrared spectroscopy(FTIR)test and macroscopic softening point test,the mutual diffusion behavior between waste vegetable oil regenerant and aged asphalt was ana-lyzed.The results show that the waste vegetable oil regenerant realizes the regeneration of aged asphalt by supplementing the light components in the aged asphalt and reducing the agglomeration of asphaltene.The increase of temperature,waste vegetable oil content and diffusion time will enhance the mutual diffusion efficiency of waste vegetable oil and aged asphalt,and the influence of temperature is the most significant.However,as the temperature increases,the increase in diffusion efficiency decreases.The results of Pear-son correlation analysis show that the diffusion coefficient between simulation and macro is significantly correlated,and the three-layer molecular diffusion model can effectively characterize the mutual diffusion behavior of rejuvenator and aged asphalt.

road engineeringmolecular simulationdiffusion propertieswaste vegetable oilaged as-phaltregeneration mechanism

索智、隋昀言、赵子豪、徐士杰、张月、王欣欣

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北京建筑大学 土木与交通工程学院,北京 100044

北京未来城市设计高精尖创新中心,北京 100044

北京城市交通基础设施建设工程技术研究中心,北京 100044

道路工程 分子模拟 扩散性能 废植物油 老化沥青 再生机理

国家重点研发计划国家自然科学基金北京市教育委员会科学研究计划项目

2022YFC380340552078024KM202110016011

2024

应用化工
陕西省石油化工研究设计院 陕西省化工学会

应用化工

CSTPCD北大核心
影响因子:0.411
ISSN:1671-3206
年,卷(期):2024.53(8)