纳米SiO2接枝玄武岩纤维与沥青界面黏结性能

doi:10.16085/j.issn.1000-6613.2024-1535

摘要/Abstract

摘要：

针对玄武岩纤维（basalt fiber，BF）表面光滑、表面能低、与沥青界面黏结强度不强等工程问题，以纳米SiO₂为接枝材料，硅烷偶联剂（KH550）为连接剂，运用化学接枝法，制备了纳米SiO₂接枝玄武岩纤维（SiO₂-BF），通过SEM和FT-IR试验，分析了玄武岩纤维表面微观形貌和官能团变化特征；并运用分子动力学模拟软件Materials Studio，分别建立了SiO₂-BF与沥青界面模型和SiO₂-BF拔出界面模型，研究了SiO₂-BF与沥青的界面黏结性能及其黏结失效行为。结果表明：纳米SiO₂均匀裹覆在BF表面，且1082cm^-1处SiO₂-BF的Si－O－Si反对称伸缩振动峰明显增大，说明BF表面稳定接枝了纳米SiO₂；温度在298K、323K、353K和438K时，SiO₂-BF与沥青的界面能较原样BF分别增加了32.10%、33.99%、27.73%和6.85%，说明SiO₂-BF与沥青的黏结性能显著高于未接枝时的水平；当拉伸速度为0.001nm²/ps时，原样BF和SiO₂-BF与沥青界面均表现为黏聚失效，当拉伸速度为0.003nm²/ps时，原样BF与沥青为黏附失效，而SiO₂-BF与沥青界面为黏聚失效，且SiO₂-BF较原样BF应力峰值提高了96.19%，说明纳米SiO₂接枝BF显著增强了其与沥青的黏结强度。

关键词: 纳米SiO₂, 玄武岩纤维, 沥青, 黏结性能, 失效行为

Abstract:

To solve the engineering problems of basalt fiber (BF) with smooth surface, low surface energy and weak bonding with asphalt, nano-SiO₂ grafted BF (SiO₂-BF) were prepared using chemical grafting method with nano-SiO₂ as grafting material and silane coupling agent (KH550) as linker. The changes in the surface micromorphology and functional groups of SiO₂-BF were analyzed by SEM and FT-IR tests. Using molecular dynamics simulation software Materials Studio, the interface model of SiO₂-BF with asphalt and the interface model of SiO₂-BF pullout were established to study the interfacial cohesive performance of SiO₂-BF with asphalt and its bond failure behavior, respectively. The results showed that the nano-SiO₂ was uniformly coated on the surface of BF and the Si－O－Si antisymmetric telescoping vibration peak of SiO₂-BF at 1082cm^-1 increased significantly, indicating that the nano-SiO₂ was stably grafted on the surface of BF. Compared with the original BF, the interfacial energy between SiO₂-BF and asphalt increased by 32.10%, 33.99%, 27.73% and 6.85% at 298K, 323K, 353K and 438K, respectively. It showed that the cohesive performance between SiO₂-BF and asphalt was significantly higher than the original BF. When the tensile speed was 0.001nm²/ps, the original BF and SiO₂-BF indicated cohesive failure with the asphalt. When the tensile speed was 0.003nm²/ps, the original BF and asphalt was adhesive failure, while SiO₂-BF and asphalt was cohesive failure, and the peak stress of SiO₂-BF was 96.19% higher than that of the original BF. It showed that nano-SiO₂ grafted BF significantly enhanced its bonding strength with asphalt.

Key words: nano-SiO₂, basalt fiber, asphalt, cohesive performance, failure behavior

中图分类号:

U414

杨程程, 柳力, 刘朝晖, 杨达, 潘厚璇. 纳米SiO₂接枝玄武岩纤维与沥青界面黏结性能[J]. 化工进展, 2025, 44(11): 6466-6476.

YANG Chengcheng, LIU Li, LIU Zhaohui, YANG Da, PAN Houxuan. Interfacial cohesive performance of nano-SiO₂ grafted basalt fiber with asphalt[J]. Chemical Industry and Engineering Progress, 2025, 44(11): 6466-6476.

图/表 14

参考文献 33

[1]	WU Wangjie, FU Zhiyu, JIANG Wei. Developing a novel sustainable and durable self-luminous pavement material with solar energy absorption capability[J]. Construction and Building Materials, 2024, 445: 137934.
[2]	WU Jie, ZHAO Zifeng, JIANG Changshan, et al. Recent development and application of natural fiber in asphalt pavement[J]. Journal of Cleaner Production, 2024, 449: 141832.
[3]	ZHANG Huzhu, ZHAO Jinxuan, YANG Wenjia, et al. Ultrasound-based freeze-thaw damage evaluation of graphene-basalt fiber asphalt mixtures[J]. Materials and Structures, 2024, 57(4): 73.
[4]	康爱红, 王卡, 孔贺誉, 等. 不同直径玄武岩纤维对沥青混合料性能影响[J]. 扬州大学学报(自然科学版), 2024, 27(1): 74-78.
	KANG Aihong, WANG Ka, KONG Heyu, et al. Effect of basalt fiber with different diameter on asphalt mixture performance[J]. Journal of Yangzhou University (Natural Science Edition), 2024, 27(1): 74-78.
[5]	吴林松, 王旭洋, 许泽宁, 等. 玄武岩纤维沥青胶浆抗剪性能研究[J]. 公路交通科技, 2023, 40(6): 17-24.
	WU Linsong, WANG Xuyang, XU Zening, et al. Study on shear properties of asphalt mortar with basalt fiber[J]. Journal of Highway and Transportation Research and Development, 2023, 40(6): 17-24.
[6]	ZHANG Yu, ZHANG Yao, LI Bo, et al. Evaluation of cracking resistance of SMA-13 hot recycling asphalt mixtures reinforced by basalt fiber[J]. Materials, 2024, 17(8): 1762.
[7]	SUN Zhiwei, KOU Changjiang, LU Yu, et al. A study of the bond strength and mechanism between basalt fibers and asphalt binders[J]. Applied Sciences, 2024, 14(6): 2471.
[8]	LOU Keke, XIAO Peng, Ghim Ping ONG, et al. Micromechanical behavior of single fiber-asphalt mastic interface: Experimental studies by self-designed innovative pullout test[J]. Construction and Building Materials, 2024, 414: 134873.
[9]	LIU Yanyan, ZHANG Zeyu, LIU Xue, et al. Self-sensing stress-absorption layer with carbon nanotubes grafted onto basalt fibers[J]. Journal of Materials in Civil Engineering, 2024, 36(2): 16077.
[10]	TAN Yangwei, XU Jinwei, XIE Jianguang, et al. Properties and mechanisms of mussel-inspired biomimetic treatment of basalt fiber modified asphalt[J]. Construction and Building Materials, 2024, 435: 136872.
[11]	YANG Chengcheng, LIU Li, LIU Zhaohui, et al. Study on the performance of ATP grafting basalt fiber based on the plant root bionic idea and its adsorption characteristics with asphalt[J]. Materials and Structures, 2024, 57(7): 157.
[12]	SANG Lin, ZHENG Guojun, HOU Wenbin, et al. Crystallization and mechanical properties of basalt fiber-reinforced polypropylene composites with different elastomers[J]. Journal of Thermal Analysis and Calorimetry, 2018, 134(3): 1531-1543.
[13]	柳力, 刘磊鑫, 刘朝晖, 等. 碳纳米管接枝玄武岩纤维沥青胶浆的电愈合行为及机制[J]. 复合材料学报, 2024, 41(12): 6612-6627.
	LIU Li, LIU Leixin, LIU Zhaohui, et al. Electrically healing behavior and mechanism of asphalt mortar with carbon nanotube grafted basalt fibers[J]. Acta Materiae Compositae Sinica, 2024, 41(12): 6612-6627.
[14]	WU Qing, YAO Renjie, DENG Hao, et al. Synergistic interactions of citric acid grafted β-cyclodextrin and polyethyleneimine for improving interfacial properties of basalt fiber/epoxy composites[J]. Composites Science and Technology, 2024, 251: 110575.
[15]	XIA Ruoyun, ZHANG Na, ZHANG Youpeng, et al. Effects of halloysite-decorated basalt fiber on mechanical properties and microstructure of iron tailings-based cementitious mortar[J]. Construction and Building Materials, 2024, 417: 135300.
[16]	XU Bingbing, ZHANG Qiuhui. Preparation and properties of hydrophobically modified nano-SiO₂ with hexadecyltrimethoxysilane[J]. ACS Omega, 2021, 6(14): 9764-9770.
[17]	LONG Zhengwu, ZHOU Sijia, JIANG Shaoting, et al. Revealing compatibility mechanism of nanosilica in asphalt through molecular dynamics simulation[J]. Journal of Molecular Modeling, 2021, 27(3): 81.
[18]	ZHENG Xuan, ZHAO Yanping, ZHANG Chi, et al. Thermal performance and mechanical properties of phase change cement paste with nano-SiO₂ grafted straw-paraffin[J]. Construction and Building Materials, 2024, 419: 135551.
[19]	QIN Wenzhen, VAUTARD Frederic, ASKELAND Per, et al. Modifying the carbon fiber-epoxy matrix interphase with silicon dioxide nanoparticles[J]. RSC Advances, 2015, 5(4): 2457-2465.
[20]	POPOV Maxim V, ZAZHIGALOV Sergey V, LARINA Tatyana V, et al. Glass fiber supports modified by layers of silica and carbon nanofibers[J]. Catalysis for Sustainable Energy, 2017, 4(1): 1-6.
[21]	CHENG Heng, SUN Hao, ZHANG Zuhua, et al. Effect of modified PE fiber grafted with nano-SiO₂ on the tensile properties of high-strength engineering cementitious composites[J]. Construction and Building Materials, 2024, 420: 135618.
[22]	LIU Jinliang, ZHAO Wenjie, LI Linfei. Effects of nano-SiO₂ grafting on improving the interfacial and mechanical properties of concrete with rice straw fibers[J]. Construction and Building Materials, 2023, 398: 132516.
[23]	杨程程, 柳力, 刘朝晖, 等. 基于分子动力学的偶联剂接枝改性玄武岩纤维与沥青黏附特性研究[J]. 材料导报, 2024, 38(6): 280-286.
	YANG Chengcheng, LIU Li, LIU Zhaohui, et al. Study on the adhesion characteristics of silane coupling agent modified basalt fiber to asphalt based on molecular dynamics[J]. Materials Reports, 2024, 38(6): 280-286.
[24]	WANG Fuyu, ZOU Gaoyuan, XU Li, et al. Investigating the impact of calcium sulfate whisker on the microscopic properties of basalt fiber-reinforced asphalt using molecular dynamics simulation[J]. Construction and Building Materials, 2024, 421: 135643.
[25]	WU Wangjie, JIANG Wei, YUAN Dongdong, et al. A review of asphalt-filler interaction: Mechanisms, evaluation methods, and influencing factors[J]. Construction and Building Materials, 2021, 299: 124279.
[26]	YANG Chengcheng, LIU Li, LIU Zhaohui, et al. Study on the mechanism of bond strength generation and debonding failure between basalt fiber and asphalt based on molecular dynamics[J]. Case Studies in Construction Materials, 2023, 19: e02493.
[27]	XU Meng, YI Junyan, FENG Decheng, et al. Analysis of adhesive characteristics of asphalt based on atomic force microscopy and molecular dynamics simulation[J]. ACS Applied Materials & Interfaces, 2016, 8(19): 12393-12403.
[28]	CHEN Wuxing, CHEN Shuang, ZHENG Chuanfeng. Analysis of micromechanical properties of algae bio-based bio-asphalt-mineral interface based on molecular simulation technology[J]. Construction and Building Materials, 2021, 306: 124888.
[29]	LI Derek D, GREENFIELD Michael L. Chemical compositions of improved model asphalt systems for molecular simulations[J]. Fuel, 2014, 115: 347-356.
[30]	LESUEUR Didier. The colloidal structure of bitumen: Consequences on the rheology and on the mechanisms of bitumen modification[J]. Advances in Colloid and Interface Science, 2009, 145(1/2): 42-82.
[31]	XU Guangji, WANG Hao. Molecular dynamics study of oxidative aging effect on asphalt binder properties[J]. Fuel, 2017, 188: 1-10.
[32]	ENGINEERS Ioc. The Shell bitumen handbook 6^th edition[J]. Quarry Management, 2015, 42(6): 34.
[33]	LIAO Meijie, GAO Yingli, XIE Yutong, et al. Investigation on the anti-aging properties enhancement mechanism of graphene on RA based on size effect[J]. Case Studies in Construction Materials, 2022, 17: e01634.

沥青组分	组成/分子式	分子数量
饱和分	异十三烷/C₃₀H₆₂	4
饱和分	藿烷/C₃₅H₆₂	6
胶质	喹啉藿/C₄₀H₅₉N	2
	硫代物/C₄₀H₆₀S	2
	苯并噻吩/C₁₈H₁₀S₂	9
	吡啶藿/C₃₆H₅₇N	2
	三甲基苯烷/C₂₉H₅₀O	2
芳香分	全氢菲萘（PHPN）/C₃₅H₄₄	13
芳香分	二辛基环乙烷萘（DOCHN）/C₃₀H₄₆	16
沥青质	苯酚/C₄₂H₅₄O	3
	吡咯/C₆₆H₈₁N	2
	噻吩/C₅₁H₆₂S	2

沥青组分	组成/分子式	分子数量
饱和分	异十三烷/C₃₀H₆₂	4
饱和分	藿烷/C₃₅H₆₂	6
胶质	喹啉藿/C₄₀H₅₉N	2
	硫代物/C₄₀H₆₀S	2
	苯并噻吩/C₁₈H₁₀S₂	9
	吡啶藿/C₃₆H₅₇N	2
	三甲基苯烷/C₂₉H₅₀O	2
芳香分	全氢菲萘（PHPN）/C₃₅H₄₄	13
芳香分	二辛基环乙烷萘（DOCHN）/C₃₀H₄₆	16
沥青质	苯酚/C₄₂H₅₄O	3
	吡咯/C₆₆H₈₁N	2
	噻吩/C₅₁H₆₂S	2

性能参数	模拟数值	试验参考值
密度/g‧cm^-3	0.989	0.997~1.020^[30-31]
内聚能密度/10⁸J‧m^-3	3.014	3.320^[31]
溶解度参数/(J‧cm^-3)^1/2	17.360	15.300~23.000^[31]
玻璃化转变温度/K	298.129	298.150~358.150^[32]

性能参数	模拟数值	试验参考值
密度/g‧cm^-3	0.989	0.997~1.020^[30-31]
内聚能密度/10⁸J‧m^-3	3.014	3.320^[31]
溶解度参数/(J‧cm^-3)^1/2	17.360	15.300~23.000^[31]
玻璃化转变温度/K	298.129	298.150~358.150^[32]

纤维类型	温度/K	界面能/kcal·mol^-1	静电能/kcal·mol^-1	范德华能/kcal·mol^-1
原样BF	298	-272.44	-3.68	-201.80
	323	-261.44	-2.64	-190.70
	353	-235.48	-1.86	-165.53
	438	-216.39	-0.90	-147.39
SiO₂-BF	298	-359.89	-10.11	-277.73
	323	-350.30	-9.71	-268.55
	353	-300.77	-8.04	-220.69
	438	-231.21	-1.37	-157.65

纳米SiO₂接枝玄武岩纤维与沥青界面黏结性能

Interfacial cohesive performance of nano-SiO₂ grafted basalt fiber with asphalt

RichHTML

PDF (PC)

可视化

摘要/Abstract

引用本文

使用本文

图/表 14

参考文献 33

相关文章 15

编辑推荐

Metrics

本文评价

[1]	杜亮亮, 邵杰, 汪超, 宋俊达, 程尧, 开元, 胡超. 沥青基钠离子电池负极材料研究进展[J]. 化工进展, 2025, 44(S1): 307-322.
[2]	田小革, 李光耀, 高凯, 吴清浩, 黄思丹, 谢振. 干法工艺中废胶粉与沥青-集料界面的相互作用行为[J]. 化工进展, 2025, 44(9): 5174-5183.
[3]	罗沛, 李萍, 杨文峰, 李伟. 基于灰色关联与因子分析的沥青老化程度评价[J]. 化工进展, 2025, 44(9): 5108-5119.
[4]	岳磊, 栗培龙, 丁湛, 夏雷, 安琳玉. 沥青再生剂扩散行为表征方法研究进展[J]. 化工进展, 2025, 44(4): 2068-2080.
[5]	张东旭, 么强, 黑树楠, 李卫东, 刘成, 李志军, 宋乐春, 韩照明. 废塑料改性沥青相容性及性能分析研究进展[J]. 化工进展, 2025, 44(3): 1651-1665.
[6]	刘燕燕, 周帅, 何紫琪, 吕艺. 沥青烟气检测方法及抑制措施研究进展[J]. 化工进展, 2025, 44(3): 1632-1650.
[7]	白中良, 李萍, 王晖, 李伟, 张强, 李宁. 基于响应曲面法的沥青再生剂配比设计以及抗老化性能[J]. 化工进展, 2025, 44(3): 1607-1618.
[8]	杜小聪, 辛春福, 赵钰. 路用复合相变材料及相变改性沥青性能评价[J]. 化工进展, 2024, 43(S1): 419-430.
[9]	谢娟, 贺文, 赵勖丞, 李帅辉, 卢真真, 丁哲宇. 分子动力学模拟在沥青体系中的应用研究进展[J]. 化工进展, 2024, 43(8): 4432-4449.
[10]	李萍, 陈修乐, 张强, 念腾飞, 王育兴, 王盟. 抑烟沥青复掺配比优化及抑烟效果评价[J]. 化工进展, 2024, 43(4): 1923-1933.
[11]	高海港, 安高军, 鲁长波, 李艳香, 张玉明, 李望良. 可纺中间相沥青的研究进展[J]. 化工进展, 2024, 43(2): 1001-1012.
[12]	史柯, 马峰, 宋瑞萌, 傅珍. 基于分子模拟的废大豆油再生沥青扩散行为[J]. 化工进展, 2024, 43(12): 6794-6803.
[13]	廖志新, 罗涛, 王红, 孔佳骏, 申海平, 管翠诗, 王翠红, 佘玉成. 溶剂脱沥青技术应用与进展[J]. 化工进展, 2023, 42(9): 4573-4586.
[14]	谭利鹏, 申峻, 王玉高, 刘刚, 徐青柏. 煤沥青和石油沥青共混改性的研究进展[J]. 化工进展, 2023, 42(7): 3749-3759.
[15]	赵毅, 杨臻, 张新为, 王刚, 杨旋. 不同裂缝损伤和愈合温度条件下沥青自愈合行为的分子模拟[J]. 化工进展, 2023, 42(6): 3147-3156.

纤维类型	温度/K	界面能/kcal·mol^-1
纤维类型	温度/K	饱和分	芳香分	胶质	沥青质
原样BF	298	-28.84	-96.95	-72.73	-73.92
	323	-26.86	-94.08	-70.37	-70.14
	353	-23.45	-82.24	-62.43	-67.38
	438	-18.90	-76.65	-59.51	-61.33
SiO₂-BF	298	-36.56	-147.67	-88.89	-86.76
	323	-33.46	-145.69	-86.10	-85.06
	353	-28.42	-120.10	-76.77	-75.49
	438	-18.38	-103.24	-55.53	-54.05

纤维类型	温度/K	界面能/kcal·mol^-1
纤维类型	温度/K	饱和分	芳香分	胶质	沥青质
原样BF	298	-28.84	-96.95	-72.73	-73.92
	323	-26.86	-94.08	-70.37	-70.14
	353	-23.45	-82.24	-62.43	-67.38
	438	-18.90	-76.65	-59.51	-61.33
SiO₂-BF	298	-36.56	-147.67	-88.89	-86.76
	323	-33.46	-145.69	-86.10	-85.06
	353	-28.42	-120.10	-76.77	-75.49
	438	-18.38	-103.24	-55.53	-54.05

纤维类型	温度/K	扩散系数/nm²·ps^-1
纤维类型	温度/K	饱和分	芳香分	胶质	沥青质
原样BF	298	0.0006825	0.0006496	0.0006213	0.0004267
	323	0.0009145	0.0008872	0.0011040	0.0007341
	353	0.0013510	0.0011470	0.0011520	0.0008098
	438	0.0036930	0.0012450	0.0018130	0.0009580
SiO₂-BF	298	0.0003159	0.0003121	0.0003625	0.0001793
	323	0.0004532	0.0003318	0.0004353	0.0001962
	353	0.0005141	0.0003390	0.0004418	0.0002748
	438	0.0031160	0.0011780	0.0011210	0.0006250

纤维类型	温度/K	扩散系数/nm²·ps^-1
纤维类型	温度/K	饱和分	芳香分	胶质	沥青质
原样BF	298	0.0006825	0.0006496	0.0006213	0.0004267
	323	0.0009145	0.0008872	0.0011040	0.0007341
	353	0.0013510	0.0011470	0.0011520	0.0008098
	438	0.0036930	0.0012450	0.0018130	0.0009580
SiO₂-BF	298	0.0003159	0.0003121	0.0003625	0.0001793
	323	0.0004532	0.0003318	0.0004353	0.0001962
	353	0.0005141	0.0003390	0.0004418	0.0002748
	438	0.0031160	0.0011780	0.0011210	0.0006250