新-旧沥青界面再生流变特征及分子动力学模拟研究
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摘要
为扩展研究新-旧沥青界面再生融合行为的方法,量化表征界面再生融合速率、融合程度等参数,通过构建新-旧双层沥青试样模型,分别基于动态剪切试验(DSR)测试试样界面的再生流变特征,基于分子动力学系统(MS)模拟试样界面的再生机制和过程,同时验证不同试验条件下试样界面再生流变特征测试结果。研究结果表明:随着新添沥青标号的增加,新-旧沥青界面再生融合程度显著增大,再生融合速率明显提高;随着加热时间的增加,新-旧沥青界面再生融合程度逐渐增大,但再生融合速率呈指数递减;随着加热温度的增加,高标号新添沥青的界面再生融合程度和界面再生融合速率均呈线性增大,而低标号新添沥青呈抛物线形增大;分子动力学系统模拟计算结果与动态剪切流变特征实测结果具有较好的关联性,表明选取的分子结构模型和计算参数合理,采用分子动力学技术模拟新-旧沥青界面再生融合行为的方法和思路是可行的。
To extend the research methods on interface regeneration characteristics and diffusion behaviors between virgin and aged asphalts, and to quantitatively describe parameters such as interface diffusion coefficient(D) and interface regeneration degree of blending(DOB) by building double layer specimens and models with virgin and aged asphalts, the rheological properties of specimens were measured using dynamic shear rheometry(DSR) tests. The interface regeneration mechanisms and processes of models were simulated using a molecular dynamics system(MS). Meanwhile, the rheological properties of specimens were verified by models under different test conditions. The results show that the DOB and D values of virgin-aged asphalt specimens both increase significantly with improvement in virgin asphalt grade. With prolonged heating time, the DOB values of virgin-aged asphalt specimens increase gradually, whereas the D values decrease exponentially. With the increase in heating temperature, the DOB and D values of virgin-aged asphalt specimens both increase linearly for higher grade virgin asphalt and parabolically for lower grade virgin asphalt. The simulation results of MS show excellent correlations with the measurement results from DSR, which indicates that the molecular structure models and calculation parameters that were selected are reasonable. Further, the molecular dynamics technique is a feasible method for simulating the interface regeneration characteristics and diffusion behaviors between virgin and aged asphalt binders.
To extend the research methods on interface regeneration characteristics and diffusion behaviors between virgin and aged asphalts, and to quantitatively describe parameters such as interface diffusion coefficient(D) and interface regeneration degree of blending(DOB) by building double layer specimens and models with virgin and aged asphalts, the rheological properties of specimens were measured using dynamic shear rheometry(DSR) tests. The interface regeneration mechanisms and processes of models were simulated using a molecular dynamics system(MS). Meanwhile, the rheological properties of specimens were verified by models under different test conditions. The results show that the DOB and D values of virgin-aged asphalt specimens both increase significantly with improvement in virgin asphalt grade. With prolonged heating time, the DOB values of virgin-aged asphalt specimens increase gradually, whereas the D values decrease exponentially. With the increase in heating temperature, the DOB and D values of virgin-aged asphalt specimens both increase linearly for higher grade virgin asphalt and parabolically for lower grade virgin asphalt. The simulation results of MS show excellent correlations with the measurement results from DSR, which indicates that the molecular structure models and calculation parameters that were selected are reasonable. Further, the molecular dynamics technique is a feasible method for simulating the interface regeneration characteristics and diffusion behaviors between virgin and aged asphalt binders.
引文
[1] 蔡全辉.废旧沥青混合料厂拌热再生应用问题研究[D].哈尔滨:哈尔滨工业大学,2013. CAI Quan-hui. Application Study on Hot In-plant Recycling Technology of Waste Asphalt Mixture [D]. Harbin: Harbin Institute of Technology, 2013.
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[3] 季节,索智,许鹰,等.SMA温拌再生沥青混合料性能试验[J].中国公路学报,2013,26(5):28-33. JI Jie, SUO Zhi, XU Ying, et al. Experimental Research on Performance of Warm-recycled Mixture Asphalt with SMA [J]. China Journal of Highway and Transport, 2013, 26 (5): 28-33.
[4] 李进.沥青再生剂扩散行为及其影响因素研究[D].北京:中国石油大学,2010. LI Jin. Study on the Diffusion Behavior of Asphalt Rejuvenator and Influence Factors [D]. Beijing: China University of Petroleum, 2010.
[5] ZHAO S, NAHAR S N, SCHMETS A J M, et al. Investigation on the Microstructure of Recycled Asphalt Shingle Binder and Its Blending with Virgin Bitumen [J]. Road Materials and Pavement Design, 2015, 16 (1): 1-21.
[6] MA T, HUANG X, ZHAO Y. Evaluation of the Diffusion and Distribution of the Rejuvenator for Hot Asphalt Recycling [J]. Construction and Building Materials, 2015, 98 (6): 530-536.
[7] KARLSSON R, ISACSSON U. Application of FTIR-ATR to Characterization of Bitumen Rejuvenator Diffusion [J]. Journal of Materials in Civil Engineering, 2003, 15 (2): 157-165.
[8] NAVARO J, BRUNEAU D, DROUADAINE I, et al. Observation and Evaluation of the Degree of Blending of Reclaimed Asphalt Concretes Using Microscopy Image Analysis [J]. Construction and Building Materials, 2012, 37: 135-143.
[9] NAVARO J, BRUNEAU D, DROUADAINE I, et al. Analyzing the Influence of Manufacturing Conditions of Reclaimed Asphalt Concrete on the Characteristics of the Asphalt Binder: Development of a Gradual Binder Extraction Method [J]. The European Physical Journal—Applied Physics, 2012, 58 (2): 1-14.
[10] BOWERS B F, HUANG B S, SHU X, et al. Investigation of Reclaimed Asphalt Pavement Blending Efficiency Through GPC and FTIR [J]. Construction and Building Materials, 2014, 50: 517-523.
[11] MOHAJERI M, MOLENAAR A A A,VAN DE VEN M F C. Experimental Study into the Fundamental Understanding of Blending Between Reclaimed Asphalt Binder and Virgin Bitumen Using Nano-indentation and Nano-computed Tomography [J]. Road Materials and Pavement Design, 2014, 15 (2): 372-384.
[12] ZHAO S. Blending Issues of Hot and Warm Mix Asphalt Containing Recycled Asphalt Pavement and Recycled Asphalt Shingle [D]. Knoxville: The University of Tennessee, 2015.
[13] RINALDINI E, SCHUETZ P, PARTL M N, et al. Investigating the Blending of Reclaimed Asphalt with Virgin Materials Using Rheology, Electron Microscopy and Computer Tomography [J]. Composites: Part B, 2014, 67: 579-587.
[14] 杨毅文,马涛,卞国剑,等. 老化沥青热再生有效再生率检测方法[J]. 建筑材料学报,2011,14(3):25-32. YANG Yi-wen, MA Tao, BIAN Guo-jian, et al. Proposed Testing Procedure for Estimation of Effective Recycling Ratio of Aged Asphalt in Hot Recycling Technical Conditions [J]. Journal of Building Materials, 2011, 14 (3): 25-32.
[15] 秦永春,黄颂昌,徐剑,等.厂拌温再生沥青混合料中新旧沥青的融合性研究[J].公路交通科技,2015,32(12):24-28. QIN Yong-chun, HUANG Song-chang, XU Jian, et al. Research of Blending Performance of Virgin and Reclaimed Asphalt in Plant Warm Recycled Asphalt Mixture [J]. Journal of Highway and Transportation Research and Development, 2015, 32 (12): 24-28.
[16] 俞志龙.厂拌热再生沥青混合料路用性能及施工工艺研究[D].重庆:重庆交通大学,2013. YU Zhi-long. Research on the Pavement Performance and Construction Technology of Hot Mix Plant Recycling [D]. Chongqing: Chongqing Jiaotong University, 2013.
[17] ZHANG L Q, GREENFIELD M L. Relaxation Time, Diffusion, and Viscosity Analysis of Model Asphalt Systems Using Molecular Simulation [J]. Journal of Chemical Physics, 2007, 127 (19): 194502.
[18] 董喜贵,雷群芳,俞庆森.石油沥青质的NMR测定及其模型分子推测[J]. 燃料化学学报,2004,32(6):668-672. DONG Xi-gui, LEI Qun-fang, YU Qing-sen. NMR Determination of Petroleum Asphaltenes and Their Model Molecules Evaluation [J]. Journal of Fuel Chemistry and Technology, 2004, 32 (6): 668-672.
[19] 齐邦峰,曹祖宾,陈立仁,等.紫外吸收光谱研究胜利渣油胶质、沥青质结构特性[J].石油化工高等学校学报,2001,14(3):14-17. QI Bang-feng, CAO Zu-bin, CHEN Li-ren, et al. Study on Structure of Resins and Asphaltenes with U.V. Absorption Spectrum [J]. Journal of Petrochemical Universities, 2001, 14 (3): 14-17.
[20] 王鹏,董泽蛟,谭忆秋,等.基于分子模拟的沥青蜂状结构成因探究[J].中国公路学报,2016,29(3):9-16. WANG Peng, DONG Ze-jiao, TAN Yi-qiu, et al. Research on the Formation Mechanism of Bee-like Structures in Asphalt Binders Based on Molecular Simulations [J]. China Journal of Highway and Transport, 2016, 29 (3): 9-16.
[21] ZHOU X X, WU S P, LIU G, et al. Molecular Simulations and Experimental Evaluation on the Curing of Epoxy Bitumen [J]. Materials and Structures, 2016, 49 (1): 1-7.
[2] 耿九光.沥青老化机理及再生技术研究[D].西安:长安大学,2009. GENG Jiu-guang. Research of the Mechanism of Asphalt Aging and Regeneration Technology [D]. Xi'an: Chang'an University, 2009.
[3] 季节,索智,许鹰,等.SMA温拌再生沥青混合料性能试验[J].中国公路学报,2013,26(5):28-33. JI Jie, SUO Zhi, XU Ying, et al. Experimental Research on Performance of Warm-recycled Mixture Asphalt with SMA [J]. China Journal of Highway and Transport, 2013, 26 (5): 28-33.
[4] 李进.沥青再生剂扩散行为及其影响因素研究[D].北京:中国石油大学,2010. LI Jin. Study on the Diffusion Behavior of Asphalt Rejuvenator and Influence Factors [D]. Beijing: China University of Petroleum, 2010.
[5] ZHAO S, NAHAR S N, SCHMETS A J M, et al. Investigation on the Microstructure of Recycled Asphalt Shingle Binder and Its Blending with Virgin Bitumen [J]. Road Materials and Pavement Design, 2015, 16 (1): 1-21.
[6] MA T, HUANG X, ZHAO Y. Evaluation of the Diffusion and Distribution of the Rejuvenator for Hot Asphalt Recycling [J]. Construction and Building Materials, 2015, 98 (6): 530-536.
[7] KARLSSON R, ISACSSON U. Application of FTIR-ATR to Characterization of Bitumen Rejuvenator Diffusion [J]. Journal of Materials in Civil Engineering, 2003, 15 (2): 157-165.
[8] NAVARO J, BRUNEAU D, DROUADAINE I, et al. Observation and Evaluation of the Degree of Blending of Reclaimed Asphalt Concretes Using Microscopy Image Analysis [J]. Construction and Building Materials, 2012, 37: 135-143.
[9] NAVARO J, BRUNEAU D, DROUADAINE I, et al. Analyzing the Influence of Manufacturing Conditions of Reclaimed Asphalt Concrete on the Characteristics of the Asphalt Binder: Development of a Gradual Binder Extraction Method [J]. The European Physical Journal—Applied Physics, 2012, 58 (2): 1-14.
[10] BOWERS B F, HUANG B S, SHU X, et al. Investigation of Reclaimed Asphalt Pavement Blending Efficiency Through GPC and FTIR [J]. Construction and Building Materials, 2014, 50: 517-523.
[11] MOHAJERI M, MOLENAAR A A A,VAN DE VEN M F C. Experimental Study into the Fundamental Understanding of Blending Between Reclaimed Asphalt Binder and Virgin Bitumen Using Nano-indentation and Nano-computed Tomography [J]. Road Materials and Pavement Design, 2014, 15 (2): 372-384.
[12] ZHAO S. Blending Issues of Hot and Warm Mix Asphalt Containing Recycled Asphalt Pavement and Recycled Asphalt Shingle [D]. Knoxville: The University of Tennessee, 2015.
[13] RINALDINI E, SCHUETZ P, PARTL M N, et al. Investigating the Blending of Reclaimed Asphalt with Virgin Materials Using Rheology, Electron Microscopy and Computer Tomography [J]. Composites: Part B, 2014, 67: 579-587.
[14] 杨毅文,马涛,卞国剑,等. 老化沥青热再生有效再生率检测方法[J]. 建筑材料学报,2011,14(3):25-32. YANG Yi-wen, MA Tao, BIAN Guo-jian, et al. Proposed Testing Procedure for Estimation of Effective Recycling Ratio of Aged Asphalt in Hot Recycling Technical Conditions [J]. Journal of Building Materials, 2011, 14 (3): 25-32.
[15] 秦永春,黄颂昌,徐剑,等.厂拌温再生沥青混合料中新旧沥青的融合性研究[J].公路交通科技,2015,32(12):24-28. QIN Yong-chun, HUANG Song-chang, XU Jian, et al. Research of Blending Performance of Virgin and Reclaimed Asphalt in Plant Warm Recycled Asphalt Mixture [J]. Journal of Highway and Transportation Research and Development, 2015, 32 (12): 24-28.
[16] 俞志龙.厂拌热再生沥青混合料路用性能及施工工艺研究[D].重庆:重庆交通大学,2013. YU Zhi-long. Research on the Pavement Performance and Construction Technology of Hot Mix Plant Recycling [D]. Chongqing: Chongqing Jiaotong University, 2013.
[17] ZHANG L Q, GREENFIELD M L. Relaxation Time, Diffusion, and Viscosity Analysis of Model Asphalt Systems Using Molecular Simulation [J]. Journal of Chemical Physics, 2007, 127 (19): 194502.
[18] 董喜贵,雷群芳,俞庆森.石油沥青质的NMR测定及其模型分子推测[J]. 燃料化学学报,2004,32(6):668-672. DONG Xi-gui, LEI Qun-fang, YU Qing-sen. NMR Determination of Petroleum Asphaltenes and Their Model Molecules Evaluation [J]. Journal of Fuel Chemistry and Technology, 2004, 32 (6): 668-672.
[19] 齐邦峰,曹祖宾,陈立仁,等.紫外吸收光谱研究胜利渣油胶质、沥青质结构特性[J].石油化工高等学校学报,2001,14(3):14-17. QI Bang-feng, CAO Zu-bin, CHEN Li-ren, et al. Study on Structure of Resins and Asphaltenes with U.V. Absorption Spectrum [J]. Journal of Petrochemical Universities, 2001, 14 (3): 14-17.
[20] 王鹏,董泽蛟,谭忆秋,等.基于分子模拟的沥青蜂状结构成因探究[J].中国公路学报,2016,29(3):9-16. WANG Peng, DONG Ze-jiao, TAN Yi-qiu, et al. Research on the Formation Mechanism of Bee-like Structures in Asphalt Binders Based on Molecular Simulations [J]. China Journal of Highway and Transport, 2016, 29 (3): 9-16.
[21] ZHOU X X, WU S P, LIU G, et al. Molecular Simulations and Experimental Evaluation on the Curing of Epoxy Bitumen [J]. Materials and Structures, 2016, 49 (1): 1-7.