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离子乳化剂对乳化沥青稳定性影响的分子模拟 CSCD PKU
期刊论文 | 2024 , 51 (03) , 51-58 | 湖南大学学报(自然科学版)
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Abstract :

为探究不同离子乳化剂对乳化沥青稳定性产生的不同影响,基于分子动力学模拟,利用Materials Studio软件构建“沥青-乳化剂-水-乳化剂-沥青”双层模型结构,模拟含不同离子乳化剂分子的乳化沥青体系,对比研究阴(SDS)/阳(CTAC)离子乳化剂对乳化沥青稳定性的影响.对比加入不同乳化剂分子后,沥青乳液的相对浓度分布、界面膜厚度、界面形成能以及静电势(ESP)的变化,分析乳化沥青的稳定性.结果表明,相较于加入CTAC乳化剂的沥青乳液,SDS乳化剂更能增大沥青与水之间界面层的厚度,减小两相的界面张力,提高乳化沥青的稳定性;从静电势角度分析,相较于CTAC乳化剂,SDS乳化剂分子烷烃链的静电势极大值更大,更易与静电势为负值的原子相结合.因此,加入SDS乳化剂的乳化沥青,其整体稳定性能要优于加入CTAC乳化剂的乳化沥青.

Keyword :

乳化剂 乳化剂 乳化沥青 乳化沥青 分子模拟 分子模拟 稳定性 稳定性 静电势 静电势

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GB/T 7714 袁燕 , 陈宏宇 , 王叶飞 et al. 离子乳化剂对乳化沥青稳定性影响的分子模拟 [J]. | 湖南大学学报(自然科学版) , 2024 , 51 (03) : 51-58 .
MLA 袁燕 et al. "离子乳化剂对乳化沥青稳定性影响的分子模拟" . | 湖南大学学报(自然科学版) 51 . 03 (2024) : 51-58 .
APA 袁燕 , 陈宏宇 , 王叶飞 , 徐松 , 薛斌 . 离子乳化剂对乳化沥青稳定性影响的分子模拟 . | 湖南大学学报(自然科学版) , 2024 , 51 (03) , 51-58 .
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A state-of-the-art review of discrete element method for asphalt mixtures: Model generation methods, contact constitutive models and application directions SCIE
期刊论文 | 2024 , 414 | CONSTRUCTION AND BUILDING MATERIALS
WoS CC Cited Count: 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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A Novel Approach Based on Munsell Value for the Evaluation of Asphalt Aging Degree ESCI
期刊论文 | 2024 | INTERNATIONAL JOURNAL OF PAVEMENT RESEARCH AND TECHNOLOGY
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In this study, a novel approach based on Munsell value was established to reveal the relationship between the aging degree and color vision of asphalt. Five different asphalt binders were treated by three types of aging protocols such as thin film oven test (TFOT), pressure aging vessel (PAV), and ultraviolet (UV) radiation, then the effects of each aging treatment on the ductility and color spectrum (collected by a spectrometer, AvaField-3) of the binders were studied. The results show that the ductility of five binders is decreased after the three aging modes (including TFOT, PAV and UV aging), nevertheless, the Munsell values show different behaviors, they become smaller after TFOT and PAV aging while becoming larger after UV aging. Scanning electron microscope (SEM) photographs show that the UV aging leads to a transformation of the binder's surface from smooth to pleated, thus the specular reflection of the asphalt surface changes into diffuse reflection, resulting in an increase in Munsell value of asphalt after UV aging. Meanwhile, the variation of Munsell value for the asphalt after UV aging is larger than that for asphalt after thermal oxidative aging, resulting in the increase of Munsell value of asphalt which undergoes thermal oxidative aging and UV aging. Based on field data collection and analysis, a linear regression equation (R2 = 0.915) is established between the Munsell value and the service life of asphalt pavement, which shows that the asphalt pavement will become white with the service life-prolonging. Based on this study, the method of Munsell value can be a promising approach to evaluate the aging degree of asphalt pavement.

Keyword :

Aging Aging Asphalt Asphalt Ductility Ductility Munsell value Munsell value Scanning electron microscope Scanning electron microscope

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GB/T 7714 Xu, Song , Wang, Yefei , Fang, Lei et al. A Novel Approach Based on Munsell Value for the Evaluation of Asphalt Aging Degree [J]. | INTERNATIONAL JOURNAL OF PAVEMENT RESEARCH AND TECHNOLOGY , 2024 .
MLA Xu, Song et al. "A Novel Approach Based on Munsell Value for the Evaluation of Asphalt Aging Degree" . | INTERNATIONAL JOURNAL OF PAVEMENT RESEARCH AND TECHNOLOGY (2024) .
APA Xu, Song , Wang, Yefei , Fang, Lei , Zhang, Canlin , Jia, Xiaojuan , Yuan, Yan . A Novel Approach Based on Munsell Value for the Evaluation of Asphalt Aging Degree . | INTERNATIONAL JOURNAL OF PAVEMENT RESEARCH AND TECHNOLOGY , 2024 .
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分子动力学的不同沥青分子自愈机制分析 PKU
期刊论文 | 2024 , 52 (03) , 307-315 | 福州大学学报(自然科学版)
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Abstract :

为探究沥青材料的自愈合性能,基于分子动力学模拟,利用Materials Studio软件建立基质沥青、 SBS(styrene-butadiene-styrene)改性沥青、老化沥青以及老化SBS改性沥青的三维微裂缝模型;通过密度分析、相对浓度分布以及自由体积分数等方法,分析自愈合模型的愈合情况.结果表明,SBS改性剂对沥青的自愈有一定的促进作用,老化对沥青的自愈有一定的抑制作用,4种沥青的自愈潜力从大到小依次为SBS改性沥青、基质沥青、老化后SBS改性沥青以及老化沥青.

Keyword :

分子动力学 分子动力学 扩散系数 扩散系数 沥青胶结料 沥青胶结料 自愈合 自愈合

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GB/T 7714 袁燕 , 陈宏宇 , 王叶飞 et al. 分子动力学的不同沥青分子自愈机制分析 [J]. | 福州大学学报(自然科学版) , 2024 , 52 (03) : 307-315 .
MLA 袁燕 et al. "分子动力学的不同沥青分子自愈机制分析" . | 福州大学学报(自然科学版) 52 . 03 (2024) : 307-315 .
APA 袁燕 , 陈宏宇 , 王叶飞 , 徐松 , 薛斌 . 分子动力学的不同沥青分子自愈机制分析 . | 福州大学学报(自然科学版) , 2024 , 52 (03) , 307-315 .
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Molecular Simulation on Effect of Ionic Emulsifiers on Stability of Emulsified Asphalt EI CSCD PKU
期刊论文 | 2024 , 51 (3) , 51-58 | Journal of Hunan University Natural Sciences
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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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Analysis of the self-healing mechanism of TB compound-modified asphalt based on molecular dynamics Scopus
期刊论文 | 2024 , 21 | Case Studies in Construction Materials
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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. © 2024

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, Y. , Lin, M. , Xu, S. 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, Y. 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, Y. , Lin, M. , Xu, S. , Wang, Y. , Chen, H. , Zheng, Z. . 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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基于橡胶沥青粘弹试验测定模型参数优化研究
期刊论文 | 2023 , 50 (7) , 59-63 | 粘接
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为了准确分析水泥混凝土路面接缝填缝料的受力状态,基于粘弹试验测定了橡胶沥青填缝料的松弛蠕变曲线与松弛模量曲线,通过非线性拟合方法求得有限元软件ANSYS中用于描述粘弹类材料粘弹性质的广义Maxwell模型和Prony级数的两种表达方式所需的参数.并结合粘弹性材料时温等效性质,回归了主曲线函数力学参数,为建立接缝有限元动态分析模型,研究移动荷载与温度荷载作用下此类型水泥路面接缝填缝料的粘弹性力学响应分析提供了方法和基础.

Keyword :

Maxwell模型 Maxwell模型 Prony级数 Prony级数 橡胶沥青填缝料 橡胶沥青填缝料 水泥路面 水泥路面 粘弹试验 粘弹试验

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GB/T 7714 王建华 , 赖益梁 , 袁燕 et al. 基于橡胶沥青粘弹试验测定模型参数优化研究 [J]. | 粘接 , 2023 , 50 (7) : 59-63 .
MLA 王建华 et al. "基于橡胶沥青粘弹试验测定模型参数优化研究" . | 粘接 50 . 7 (2023) : 59-63 .
APA 王建华 , 赖益梁 , 袁燕 , 刘建新 , 杨枫 . 基于橡胶沥青粘弹试验测定模型参数优化研究 . | 粘接 , 2023 , 50 (7) , 59-63 .
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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
期刊论文 | 2023 , 45 (1) , 59-64,102 | 南昌大学学报(工科版)
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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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隧道复合式路面动力响应影响因素的权重分析
期刊论文 | 2023 , 21 (1) , 32-39,145 | 水利与建筑工程学报
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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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How calcium and magnesium ions affect the stability of asphalt with anionic emulsifiers: A molecular dynamics study SCIE
期刊论文 | 2023 , 400 | CONSTRUCTION AND BUILDING MATERIALS
WoS CC Cited Count: 5
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Based on molecular dynamics, modelling and analysis of the state of salt-free ionic emulsified asphalt system with the addition of calcium ions and magnesium ions (Ca2+and Mg2+, respectively). The effect of calcium and magnesium ions on the stability of sodium dodecyl sulfate (SDS)-emulsified asphalt was investigated. To determine the effect of the metal cations on the stability of anionic emulsified asphalt, the interfacial morphological distribution, interaction of the emulsifier with water molecules, and mobility of water molecules in the emulsifier head group/metal cations was investigated. The results of the simulation analysis show that, compared to a salt-free environment, the addition of Ca2+ or Mg2+ to a salt-containing system induces aggregation between the head groups of the SDS emulsifier molecules and reduces the thickness of the SDS emulsifier headgroup distribution along the Z-axis. This, in turn, weakens the stability of the anionic emulsified asphalt. Compared to the Ca2+-emulsified asphalt system, the Mg2+-emulsifier headgroup molecules are more easily bound to water molecules and more difficult to dissociate from them. Thus, the addition of Mg2+ is more likely to reduce the stability of the emulsion. Furthermore, the results of the simulated data analysis indicate that the addition of cations to the emulsified asphalt system, particularly Mg2+, reduces the mobility of the water molecules surrounding the head group, thereby reducing the stability of the emulsion. The results of the molecular simulations are consistent with the experimental results in the literature. Thus, the validity of using molecular dynamics to analyze the effect of metal cations on anionic emulsified asphalt was verified.

Keyword :

Anionic emulsified asphalt Anionic emulsified asphalt Cation Cation Interaction energy Interaction energy Molecular dynamics Molecular dynamics Stability Stability

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GB/T 7714 Yuan, Yan , Chen, Hongyu , Wang, Yefei et al. How calcium and magnesium ions affect the stability of asphalt with anionic emulsifiers: A molecular dynamics study [J]. | CONSTRUCTION AND BUILDING MATERIALS , 2023 , 400 .
MLA Yuan, Yan et al. "How calcium and magnesium ions affect the stability of asphalt with anionic emulsifiers: A molecular dynamics study" . | CONSTRUCTION AND BUILDING MATERIALS 400 (2023) .
APA Yuan, Yan , Chen, Hongyu , Wang, Yefei , Xu, Song , Xue, Bin , Zou, Guilian et al. How calcium and magnesium ions affect the stability of asphalt with anionic emulsifiers: A molecular dynamics study . | CONSTRUCTION AND BUILDING MATERIALS , 2023 , 400 .
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