基于分子动力学的生物质油改性沥青相容性研究  

Research on the Compatibility of Bio-oil Modified Asphalt Binder Based on Molecular Dynamics

作　　者：丁鹤洋 汪海年[1] 徐宁 王宠惠 屈鑫 尤占平 DING Heyang;WANG Hainian;XU Ning;WANG Chonghui;QU Xin;YOU Zhanping(School of Highway,Chang’an University,Xi'an 710064,China;Institute of Highway Engineering,RWTH Aachen University,Aachen,52074,Germany;Department of Civil and Environmental Engineering,Michigan Technological University,Houghton MI 49931,USA)

机构地区：[1]长安大学公路学院,西安710064 [2]德国亚琛工业大学土木工程学院,亚琛520743 [3]美国密歇根理工大学土木与环境工程系院,霍顿MI 499331

出　　处：《材料导报》2023年第2期244-251,共8页Materials Reports

基　　金：国家重点研发计划(2021YFB2601000);国家自然科学基金(51878063,52078048,52008029)。

摘　　要：为研究生物质油改性沥青的相容稳定性,基于分子动力学方法构建了基质沥青、生物质油改性沥青和SBS改性沥青模型,依据热力学判据、Flory-Huggins相互作用参数和分子极性对生物质油改性沥青和SBS改性沥青的相容性进行定量对比分析。借助荧光显微镜观测两类改性沥青以进一步验证和支持数值模拟结果。研究发现,在158 K和294 K处,SBS改性沥青出现了两次明显的玻璃化状态转变,而生物质油改性沥青仅在262 K处出现一次玻璃化状态转变;生物质油的溶解度参数与基质沥青的溶解度参数更为接近;SBS-基质沥青的相互作用参数(0.6891)高于生物质油-基质沥青(0.6120);生物质油的电偶极矩高于SBS改性剂,因而生物质油-基质沥青体系会产生强烈的吸引;SBS结构为直链线性,难以与沥青质等多环芳烃结构发生相互作用;SBS改性沥青的荧光显微结构中出现大规模荧光点,相态分离明显,而生物质油沥青荧光点少,相态均一。综合分析,生物质与基质沥青之间表现出更好的相容稳定性。To investigate the compatibility of bio-oil modified asphalt binder,the matrix asphalt binder,bio-oil modified asphalt binder and SBS modified asphalt binder were constructed based on molecular dynamics,through the perspectives including thermodynamic parameters,Flory-Huggins interaction parameters and molecular polarity,quantitative analysis of the compatibility of bio-oil modified asphalt binder and SBS modified asphalt binder was conducted.Two types of modified asphalt binder can be also observed with the aid of fluorescence microscopy to further validate and support the numerical simulation results.It was found that there was an obvious secondary state transition of vitrification for SBS modified asphalt binder at 158 K and 294 K,while there was once time for bio-oil modified asphalt binder at 262 K;the solubility parameter of bio-oil was clo-ser to that of matrix asphalt binder;the Flory-Huggins interaction parameters of SBS modified asphalt binder(0.6891)was higher than that of bio-oil asphalt binder(0.6120);the electric dipole moment of bio-oil was higher than SBS modifier,thus there was a strong attraction and asso-ciative force in the bio-oil-matrix asphalt binder system.Because of the linear structure existed in SBS modifier,it was difficult to interact with asphaltenes and other polycyclic aromatic hydrocarbons;the SBS modified asphalt binder showed massive fluorescent spots and significant phase separation,while the bio-oil modified asphalt binder showed fewer fluorescent spots and a homogeneous phase state.Comprehensive analysis shows that the compatibility between bio-oil and matrix asphalt binder is better than SBS modifier.

关 键 词：沥青路面 相容性 分子动力学 荧光显微镜 生物质油 改性沥青 

分 类 号：U414[交通运输工程—道路与铁道工程]