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学者姓名：袁燕
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Abstract ：
To investigate the effects of ionic emulsifiers on the stabilization of emulsified asphalt, this paper used the Materials Studio software package to model a two-layer structure consisting of asphalt-emulsifier-water-emulsifier-asphalt. The principles of molecular dynamics were used to simulate the emulsified asphalt solution with various types of ionic emulsifier molecules. The effects of the anionic (SDS)/cationic (CTAB) emulsifiers on the stability of the emulsified asphalt were studied and compared. The following performance metrics were investigated: the interfacial monolayer morphology of the emulsifier molecules; the interaction energy between the emulsifier molecules and the water molecules; and the interaction energy between the emulsifier molecules and the asphalt phase/water phase. The results showed that, compared with CTAB emulsifier molecules, SDS emulsifier molecules had a higher extent of aggregation in the emulsified asphalt model system. The binding ability between the SDS emulsifier and the water molecules was stronger than that of the CTAB emulsifier molecules and negatively affects the stability of emulsified asphalt. Compared with the CTAB emulsified asphalt system, the SDS emulsified asphalt system has higher binding energy. In general, the stability of the CTAB-emulsified asphalt system is better than that of the SDS-emulsified asphalt system.
Keyword ：
Electrostatic potential Electrostatic potential Emulsified asphalt Emulsified asphalt Emulsifier Emulsifier Molecular simulation Molecular simulation Stability Stability
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| GB/T 7714 | Yuan, Yan , Chen, Hongyu , Wang, Yefei et al. Effect of Ionic Emulsifiers on the Stability of Emulsified Asphalt Based on Molecular Dynamics Simulation [J]. | JOURNAL OF MATERIALS IN CIVIL ENGINEERING , 2025 , 37 (3) . |
| MLA | Yuan, Yan et al. "Effect of Ionic Emulsifiers on the Stability of Emulsified Asphalt Based on Molecular Dynamics Simulation" . | JOURNAL OF MATERIALS IN CIVIL ENGINEERING 37 . 3 (2025) . |
| APA | Yuan, Yan , Chen, Hongyu , Wang, Yefei , Xu, Song , Xue, Bin . Effect of Ionic Emulsifiers on the Stability of Emulsified Asphalt Based on Molecular Dynamics Simulation . | JOURNAL OF MATERIALS IN CIVIL ENGINEERING , 2025 , 37 (3) . |
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Abstract ：
Asphalt mixture is a typical granular material, and its macroscopic properties are closely related to the interaction behavior of aggregate particles at the micro scales. Discrete element method (DEM), as an important numerical simulation method in granular mechanics, plays an increasingly important role in analyzing the aggregate packing characteristics, skeleton features, predicting mechanical and pavement performance of asphalt mixtures. However, the complexity of the composition of asphalt mixtures, including the particle size, shape, spatial distribution of aggregate particles, and the viscoelasticity of asphalt binders sensitive to temperature, load, and time, increases the difficulty of constructing DEM models of asphalt mixtures, selecting contact constitutive models, and determining parameters, which directly affects the accuracy and efficiency of DEM simulations. In this review, the generation methods of idealized models, image models, and user-defined models currently used to generate DEM models of asphalt mixtures were summarized in detail. Conventional contact constitutive models, including elastic and viscoelastic contact stiffness constitutive models, as well as fracture models including bonding models and cohesive softening models, were discussed. Moreover, special contact constitutive models, such as damage, self-healing, and two-stage contact models considering compaction evolution, were also summarized and discussed. Then, the contact constitutive model parameters were classified and related determination methods were summarized, and the latest application directions of DEM in current asphalt mixture research were classified. On this basis, relevant discussions were carried out, and the challenges and future development prospects faced by DEM in asphalt mixture research were proposed.
Keyword ：
Application Application Asphalt mixture Asphalt mixture Contact constitutive model Contact constitutive model Discrete element method Discrete element method Model generation method Model generation method
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| GB/T 7714 | Xue, Bin , Que, Yun , Pei, Jianzhong et al. A state-of-the-art review of discrete element method for asphalt mixtures: Model generation methods, contact constitutive models and application directions [J]. | CONSTRUCTION AND BUILDING MATERIALS , 2024 , 414 . |
| MLA | Xue, Bin et al. "A state-of-the-art review of discrete element method for asphalt mixtures: Model generation methods, contact constitutive models and application directions" . | CONSTRUCTION AND BUILDING MATERIALS 414 (2024) . |
| APA | Xue, Bin , Que, Yun , Pei, Jianzhong , Ma, Xiaoyan , Wang, Di , Yuan, Yan et al. A state-of-the-art review of discrete element method for asphalt mixtures: Model generation methods, contact constitutive models and application directions . | CONSTRUCTION AND BUILDING MATERIALS , 2024 , 414 . |
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Abstract ：
To investigate the different effects of different ionic emulsifiers on the stability of emulsified asphalt，based on molecular dynamics simulation， the double-layer model structure of 'asphalt-emulsifier-water-emulsifier-asphalt'was constructed by using Materials Studio software，and emulsified asphalt systems containing different ionic emulsifier molecules were simulated to compare the effect of anionic （SDS）/cationic （CTAC）emulsifiers on the stability of emulsified asphalt. The changes in the relative concentration distribution，interfacial film thickness，interfacial formation energy，and electrostatic potential （ESP） of the asphalt emulsions were compared with the addition of different emulsifier molecules in order to analyze the stability of the emulsified asphalt. The results show that the SDS emulsifier increases the thickness of the interfacial layer between asphalt and water，reduces the interfacial tension between the two phases，and improves the stability of the emulsified asphalt，compared with the CTAC emulsifier. From the perspective of electrostatic potential analysis，compared with CTAC emulsifier，SDS emulsifier molecule has a larger maximum electrostatic potential of the alkane chain，and it is more likely to bond with atoms with negative electrostatic potential. Therefore，the overall stability of emulsified asphalt with an SDS emulsifier is better than that of emulsified asphalt with a CTAC emulsifier. © 2024 Hunan University. All rights reserved.
Keyword ：
Asphalt Asphalt Computer software Computer software Electrostatics Electrostatics Emulsification Emulsification Molecular dynamics Molecular dynamics Molecules Molecules Stability Stability
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| GB/T 7714 | Yuan, Yan , Chen, Hongyu , Wang, Yefei et al. Molecular Simulation on Effect of Ionic Emulsifiers on Stability of Emulsified Asphalt [J]. | Journal of Hunan University Natural Sciences , 2024 , 51 (3) : 51-58 . |
| MLA | Yuan, Yan et al. "Molecular Simulation on Effect of Ionic Emulsifiers on Stability of Emulsified Asphalt" . | Journal of Hunan University Natural Sciences 51 . 3 (2024) : 51-58 . |
| APA | Yuan, Yan , Chen, Hongyu , Wang, Yefei , Xu, Song , Xue, Bin . Molecular Simulation on Effect of Ionic Emulsifiers on Stability of Emulsified Asphalt . | Journal of Hunan University Natural Sciences , 2024 , 51 (3) , 51-58 . |
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To improve the predictive ability of existing models for predicting the compaction density of asphalt pavement，a test site was set up on the upper layer of the Xiang’an Airport Highway Project in Xiamen. The CCV，DMV and VCV，which represent the change of harmonic ratio，energy，and mechanics in the vibration and compression process，respectively，as well as the temperature，were chosen as indicators. The isolation forest algorithm was used to detect outliers in indicators. The density prediction model was established based on the partial least squares regression. The results show that the isolation forest can effectively recognize outliers of high-dimensional data，covering the shortage that traditional methods can only process one-dimensional data. There are different degrees of positive correlation between temperature，other indicators，and asphalt pavement density. The multiple regression model based on CCV，DMV，and VCV obtains better fitting ability than the unitary regression methods，proving the feasibility of multiple indicators. The partial least squares regression can restrain the adverse impact caused by the approximate collinearity between independent variables，correct the incorrect weight of temperature，and improve the fitting degree compared with the common multiple linear regression methods. The final determination coefficient of the model on the training set is 0.83，and on the test set is 0.81，indicating good predictive ability for asphalt pavement density. © 2024 Hunan University. All rights reserved.
Keyword ：
Asphalt Asphalt Asphalt pavements Asphalt pavements Compaction Compaction Multiple linear regression Multiple linear regression
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| GB/T 7714 | Que, Yun , Dai, Yi , Xue, Bin et al. Intelligent Compaction Density Prediction Model of Asphalt Pavement Based on Multiple Indicators [J]. | Journal of Hunan University Natural Sciences , 2024 , 51 (11) : 147-157 . |
| MLA | Que, Yun et al. "Intelligent Compaction Density Prediction Model of Asphalt Pavement Based on Multiple Indicators" . | Journal of Hunan University Natural Sciences 51 . 11 (2024) : 147-157 . |
| APA | Que, Yun , Dai, Yi , Xue, Bin , Zhang, Chanlin , Mu, Honglin , Yuan, Yan . Intelligent Compaction Density Prediction Model of Asphalt Pavement Based on Multiple Indicators . | Journal of Hunan University Natural Sciences , 2024 , 51 (11) , 147-157 . |
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为提高现有沥青路面压实密度预测模型预测能力,以厦门翔安机场高速公路的路面段为试验场地,选取分别代表振压过程中谐波比、能量和力学变化的压实控制值CCV、耗散测量值DMV、振动压实值VCV以及温度作为监测指标,采用孤立森林算法进行监测指标异常点识别,基于最小偏二乘回归建立多指标沥青路面压实密度预测模型.结果表明:孤立森林算法可有效识别高维数据异常点,弥补传统方法只能处理一维数据的不足;温度与其他监测指标以及沥青路面密度存在不同程度正相关关系;基于CCV、DMV、VCV的多元回归模型拟合性能优于一元回归模型性能,论证了多指标评价方法可行性;最小偏二乘回归可改善自变量间共线性对模型权重的影响,解决温度权重与实际物理意义相互颠倒的问题;相比普通多元线性回归,最小偏二乘回归能进一步提高模型拟合能力,模型最终在训练集上的决定系数为0.83,在测试集上的决定系数为0.81,具有良好的沥青路面压实密度预测能力.
Keyword ：
孤立森林 孤立森林 智能压实 智能压实 智能压实测量值 智能压实测量值 最小偏二乘回归 最小偏二乘回归 沥青路面 沥青路面
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| GB/T 7714 | 阙云 , 戴伊 , 薛斌 et al. 沥青路面压实密度多指标智能预测模型 [J]. | 湖南大学学报（自然科学版） , 2024 , 51 (11) : 147-157 . |
| MLA | 阙云 et al. "沥青路面压实密度多指标智能预测模型" . | 湖南大学学报（自然科学版） 51 . 11 (2024) : 147-157 . |
| APA | 阙云 , 戴伊 , 薛斌 , 章灿林 , 牟宏霖 , 袁燕 . 沥青路面压实密度多指标智能预测模型 . | 湖南大学学报（自然科学版） , 2024 , 51 (11) , 147-157 . |
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Snow and ice on the pavement surfaces in winter seriously threaten the traffic safety. This study prepared high-elastic/salt-storage (HESS) asphalt mixtures containing rubber particles (RP) and self-developed salt-storage fillers to improve deicing performance in various aspects. Specifically, the RP was incorporated into the asphalt mixture by replacing 1 %, 2 %, and 3 % of fine aggregate by mass and the self-developed salt-storage filler was incorporated into the asphalt mixture to replace 25 %, 50 %, and 75 % of the mineral filler by equal volume. Hydrated lime was used as a mineral filler to enhance the asphalt mixtures' water damage resistance. The pavement performance of HESS asphalt mixtures was first studied. The pull-out and fall ball impact tests were designed to investigate the composite deicing effect of RP and salt-storage filler on the asphalt mixtures. A self-designed rainfall simulation test was used to assess the long-term deicing performance of HESS asphalt mixtures. Results showed that the incorporation of RP improves the high-temperature stability and low-temperature crack resistance of the mixtures, but negatively affects their water damage resistance. The RP content should not exceed 3 % to guarantee water damage resistance. Due to combining effects RP and salt-storage fillers, the deicing performance of HESS asphalt mixtures has been improved by 15.9 % and 10.6 % as compared to the addition of RP and salt-storage fillers separately. It is recommended to replace the fine aggregates with the RP at content of 1.5-3 % by mass and 60-75 % mineral filler with the salt-storage filler by volume.
Keyword ：
Deicing performance Deicing performance High-elastic/salt-storage asphalt mixture High-elastic/salt-storage asphalt mixture Long-term deicing performance Long-term deicing performance Rubber particle Rubber particle Salt-storage filler Salt-storage filler
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| GB/T 7714 | Zou, Guilian , Chen, Qi , Jiao, Youqing et al. Research on deicing performance of high-elastic/salt-storage asphalt mixture containing rubber particle and self-developed salt-storage filler [J]. | CONSTRUCTION AND BUILDING MATERIALS , 2024 , 449 . |
| MLA | Zou, Guilian et al. "Research on deicing performance of high-elastic/salt-storage asphalt mixture containing rubber particle and self-developed salt-storage filler" . | CONSTRUCTION AND BUILDING MATERIALS 449 (2024) . |
| APA | Zou, Guilian , Chen, Qi , Jiao, Youqing , Yuan, Yan , Zhang, Yuan , Yu, Jiangmiao . Research on deicing performance of high-elastic/salt-storage asphalt mixture containing rubber particle and self-developed salt-storage filler . | CONSTRUCTION AND BUILDING MATERIALS , 2024 , 449 . |
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To investigate the intrinsic self-healing behavior of terminal blend (TB)-modified asphalt (TBMA), this study establishes four models of matrix asphalt, TBMA, TBMA containing styrene-butadiene- styrene (TB_SBS), and TBMA containing ethylene vinyl acetate (TB_EVA) based on molecular dynamics, and the self-healing ability of the four types of asphalt was evaluated by means of the diffusion coefficient, diffusion activation energy, and pre-exponential factor. Finally, the study analyzes and validates the self-healing performance of the asphalt through fatigue shear-healing tests. The results showed that the self-healing potentials of the four types of asphalt, as determined by the diffusion coefficient, diffusion activation energy, and pre-exponential factor, were (in descending order) TB_SBS, TBMA, TB_EVA, and matrix asphalt. In addition, the diffusion coefficient of the TBMA was increased relative to the matrix asphalt, SBS polymer further increased the diffusion coefficient, and EVA modifier had an inhibitory effect, which was related to the viscoelasticity and mechanical performance of the material. Besides, the diffusion coefficient enhancement effect of the SBS modifier on the TBMA was greater than the inhibition effect, which mainly derived from the enhancement of the diffusion coefficient of lightweight components in significantly enhancing the self-healing ability the TBMA. From microscopic and macroscopic scales, the shear-fatigue healing tests showed excellent correlation with the simulation results, demonstrating that molecular dynamics can be used to model the self-healing process of asphalt.
Keyword ：
Diffusion coefficient Diffusion coefficient Molecular dynamics Molecular dynamics Road engineering Road engineering Self-healing Self-healing Terminal blend Terminal blend
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| GB/T 7714 | Yuan, Yan , Lin, Mengsi , Xu, Song et al. Analysis of the self-healing mechanism of TB compound-modified asphalt based on molecular dynamics [J]. | CASE STUDIES IN CONSTRUCTION MATERIALS , 2024 , 21 . |
| MLA | Yuan, Yan et al. "Analysis of the self-healing mechanism of TB compound-modified asphalt based on molecular dynamics" . | CASE STUDIES IN CONSTRUCTION MATERIALS 21 (2024) . |
| APA | Yuan, Yan , Lin, Mengsi , Xu, Song , Wang, Yefei , Chen, Hongyu , Zheng, Zhidong . Analysis of the self-healing mechanism of TB compound-modified asphalt based on molecular dynamics . | CASE STUDIES IN CONSTRUCTION MATERIALS , 2024 , 21 . |
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为揭示车辆荷载作用下公路隧道复合式路面结构力学响应,依托实体工程开展现场试验,采用有限元软件建立三维有限元模型并进行模型精度验证,分析车辆荷载、路面结构尺寸以及材料参数对有仰拱和无仰拱的隧道复合式路面动力响应的影响.结果 表明:隧道复合式路面混凝土面层最不利荷载位置为纵缝边缘中部,轴载和混凝土面层厚度对混凝土面层板板底拉应力、沥青层层底拉应变以及层间剪应力的影响较大,水平荷载和混凝土面层模量对各项动力响应指标的影响较小;普通复合式路面沥青面层动力响应隧道路面相差较小,混凝土面层板底拉应力分别为有仰拱的 5.99 倍、无仰拱的1.74 倍.研究结果可为隧道复合式路面结构设计方法研究提供参考.
Keyword ：
动力响应 动力响应 数值模拟 数值模拟 权重分析 权重分析 现场试验 现场试验 隧道复合式路面 隧道复合式路面
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| GB/T 7714 | 翁斌 , 阙云 , 章灿林 et al. 隧道复合式路面动力响应影响因素的权重分析 [J]. | 水利与建筑工程学报 , 2023 , 21 (1) : 32-39,145 . |
| MLA | 翁斌 et al. "隧道复合式路面动力响应影响因素的权重分析" . | 水利与建筑工程学报 21 . 1 (2023) : 32-39,145 . |
| APA | 翁斌 , 阙云 , 章灿林 , 徐松 , 袁燕 , 傅东阳 . 隧道复合式路面动力响应影响因素的权重分析 . | 水利与建筑工程学报 , 2023 , 21 (1) , 32-39,145 . |
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一些高黏改性沥青混合料采用干法施工,而其施工温度是采用湿法改性得到的高黏改性沥青来确定,二者存在匹配性问题.对SBS改性沥青运用湿法工艺添加高黏改性剂制得复合改性沥青,按等流动性通过黏温曲线与流动性-温度曲线分析复合改性沥青的可施工温度范围;通过试验对比不同成型温度下,干法高黏复合改性沥青混合料的高温性能、水稳定性以及体积指标,确定最佳的成型温度.试验结果表明,通过加高黏剂,改善了沥青的高温性能、黏韧性和低温抗裂性能,对干法添加的混合料,随着成型温度的提高,沥青混合料的高温性能持续增强,水稳定性先上升后下降,OGFC-5 干法高黏复合改性沥青混凝土的最佳成型温度区间为 165～175℃;湿法改性沥青的黏温曲线能在一定程度上反映干法改性沥青混合料的施工温度性能.
Keyword ：
成型温度 成型温度 流动性-温度曲线 流动性-温度曲线 高黏剂 高黏剂 高黏复合沥青 高黏复合沥青 黏温曲线 黏温曲线
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| GB/T 7714 | 王建华 , 赖益梁 , 郭成 et al. 成型温度对OGFC-5 干法高黏复合沥青混合料路用性能的影响 [J]. | 南昌大学学报（工科版） , 2023 , 45 (1) : 59-64,102 . |
| MLA | 王建华 et al. "成型温度对OGFC-5 干法高黏复合沥青混合料路用性能的影响" . | 南昌大学学报（工科版） 45 . 1 (2023) : 59-64,102 . |
| APA | 王建华 , 赖益梁 , 郭成 , 薛道耐 , 李慧峰 , 杨枫 et al. 成型温度对OGFC-5 干法高黏复合沥青混合料路用性能的影响 . | 南昌大学学报（工科版） , 2023 , 45 (1) , 59-64,102 . |
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基于分子动力学,建立了无盐及含盐乳化沥青体系模型,研究了金属阳离子对十二烷基硫酸钠(SDS)阴离子乳化沥青稳定性的影响,并通过对比Ca2+/Mg2+加入前后沥青乳液中相对浓度分布、乳化剂分子倾角和各界面相之间的相互作用能,分析了乳化沥青体系的稳定性.结果表明:相较于无盐乳化沥青体系,Ca2+/Mg2+的加入降低了界面膜的吸附能力,减少了沥青相与水相的结合能,导致乳化沥青体系不稳定;分子模拟的计算结果与试验结论相符,验证了模型的正确性.
Keyword ：
分子动力学 分子动力学 相互作用能 相互作用能 稳定性 稳定性 阳离子 阳离子 阴离子乳化沥青 阴离子乳化沥青
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| GB/T 7714 | 袁燕 , 陈宏宇 , 王叶飞 et al. 阳离子对乳化沥青稳定性影响的分子模拟 [J]. | 建筑材料学报 , 2023 , 26 (10) : 1137-1142 . |
| MLA | 袁燕 et al. "阳离子对乳化沥青稳定性影响的分子模拟" . | 建筑材料学报 26 . 10 (2023) : 1137-1142 . |
| APA | 袁燕 , 陈宏宇 , 王叶飞 , 徐松 , 薛斌 . 阳离子对乳化沥青稳定性影响的分子模拟 . | 建筑材料学报 , 2023 , 26 (10) , 1137-1142 . |
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