Abstract: The chemical composition and surface morphology of antimony tailings were analyzed by X-ray diffraction (XRD) and scanning electron microscopy (SEM) to determine their main mineral components. Based on this, a simulation model of molecular dynamics (MD) was constructed to simulate the interfacial adhesion behaviors of antimony tailings, basalt aggregates, steel slag aggregates and asphalt. The adhesion properties of both matrix asphalt and SBS-modified asphalt were characterized by use of photoelectric colorimetry and contact angle test. A gray correlation analysis method was applied to verify the consistency between simulation results and macroscopic test results. The research results show that the interfacial energies of quartz, calcite, and asphalt in antimony tailings are -68.49 kcal/(mol·nm2) and -318.43 kcal/(mol·nm2), respectively. In the SBS-modified asphalt system, the adhesion rate of antimony tailings is 86.37% and the compatibility rate is 44.67%, whose values are between those of basalt (82.25%, 35.85%) and steel slag (94.8%, 52.36%). The adhesion rate of antimony tailings decreases to 78.84% after oxidation, with the change trend of matrix asphalt being consistent with that of SBS-modified asphalt. Gray correlation analysis reveals a high consistency between the results of adhesion quantification test and traditional immersion method (correlation degree >0.9), confirming the reliability of the macroscopic testing method. Antimony tailings possess asphalt adhesion properties comparable to commonly used aggregates, rendering their resource utilization in road engineering feasible.

Key words: highway engineering; asphalt adhesiveness; antimony tailings; molecular dynamics; photoelectric colorimetry; gray correlation degree

摘要： 通过X射线衍射（XRD）和扫描电子显微镜（SEM）分析锑尾矿的化学组成和表面形貌，确定其主要矿物成分，并据此构建分子动力学模拟（MD）模型，模拟锑尾矿、玄武岩集料、钢渣集料与沥青的界面黏附行为。借助光电比色法和接触角试验表征基质沥青及SBS改性沥青的黏附性能，并采用灰色关联度分析法验证模拟结果与宏观试验结果的一致性。研究结果显示：锑尾矿中石英、方解石与沥青的界面能分别为-68.49 、-318.43 kcal/(mol·nm2)；在SBS改性沥青体系中，锑尾矿的黏附率、 配伍率为86.37%、 44.67%，均介于玄武岩（82.25%、 35.85%）和钢渣（94.8%、 52.36%）之间；锑尾矿表面氧化后黏附率降至78.84%，基质沥青与SBS改性沥青变化趋势一致；灰色关联分析揭示黏附性量化试验结果与传统水浸法高度一致（关联度>0.9），验证了宏观试验方法的可靠性；锑尾矿具备与常用集料相当的沥青黏附性能，其资源化用于道路工程具有可行性。

关键词: 道路工程；沥青黏附性；锑尾矿；分子动力学；光电比色法；灰色关联度