Interfacial behavior and molecular insights into adhesion between metallurgical slag and bitumen for sustainable asphalt pavements

IF 8.9 1区工程技术 Q1 CONSTRUCTION & BUILDING TECHNOLOGY

Construction and Building Materials Pub Date : 2026-04-11 Epub Date: 2026-03-11 DOI:10.1016/j.conbuildmat.2026.145886

Haiqin Xu , Shaopeng Wu , Haopeng Wang , Jun Xie , Xinkui Yang , Yu Song , Jianlin Feng , Yaoyang Zhu

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引用次数: 0

Abstract

The massive accumulation of metallurgical slags has emerged as a major obstacle to the sustainable transformation of the steel industry, while metallurgical slags valued for excellent properties, represent a highly promising substitute for natural aggregates in asphalt pavements. However, its interfacial adhesion mechanism with bitumen remains insufficiently understood and significantly oversimplified. This research aims to explore interfacial behavior and molecular insights into adhesion between metallurgical slag and bitumen for sustainable asphalt pavements. Molecular models of metallurgical slags from different sources and bitumen were firstly established, then the construction of slag-bitumen interfacial systems, with quartz and calcite as controlled group. Molecular dynamics simulations were performed to reach equilibrium. Crystal structure, atomic diffusion, adhesion energy, and relative concentration distribution were analyzed respectively. Then, contact angle test, modified boiling test and moisture resistance test were then conducted to verify the adhesion behavior. The results show that the atomic structure and interfacial adhesion of metallurgical slags strongly depend on their chemical composition. Blast furnace slag exhibits a highly polymerized aluminosilicate network, whereas Fe- and Ca-rich steel slags present more depolymerized structures. Steel slags from different sources display distinct structural characteristics, leading to pronounced differences in adhesion behavior. The interfacial adhesion strength follows the order calcite > SS-1 > SS-5 > SS-4 > SS-2 > SS-3 > BFS > quartz. Bitumen–slag interactions are compositionally selective, with resins and aromatics contributing dominantly to adhesion, while asphaltenes and saturates play secondary roles. Macroscopic adhesion tests of adhesion and moisture resistance further confirm the simulation result. These findings would promote sustainable valorization of waste in asphalt pavements.

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可持续沥青路面中冶金渣与沥青黏附的界面行为和分子洞察

冶金渣的大量堆积已成为钢铁工业可持续转型的主要障碍，而冶金渣具有优良的性能，是沥青路面中天然集料的极有前途的替代品。然而，其与沥青的界面粘附机制仍然不充分了解和明显过于简化。本研究旨在探讨可持续沥青路面中冶金渣与沥青之间的界面行为和分子粘附特性。首先建立了不同来源冶金渣和沥青的分子模型，然后构建了以石英和方解石为对照组的渣-沥青界面体系。进行了分子动力学模拟以达到平衡。分别分析了晶体结构、原子扩散、粘附能和相对浓度分布。然后进行接触角试验、改性沸腾试验和耐湿试验，验证其粘附性能。结果表明，冶金渣的原子结构和界面附着力很大程度上取决于其化学成分。高炉渣表现出高度聚合的铝硅酸盐网络，而富铁和富钙钢渣则表现出更多的解聚合结构。不同来源的钢渣表现出不同的结构特征，从而导致附着性能的显著差异。接下来的界面粘附强度顺序方解石祝辞 SS-1 祝辞 SS-5 祝辞 SS-4 祝辞 SS-2 祝辞 SS-3 祝辞 BFS祝辞 石英。沥青与矿渣的相互作用具有选择性，树脂和芳烃对粘结力起主要作用，沥青质和饱和烃起次要作用。宏观黏附试验和抗湿性试验进一步证实了模拟结果。这些发现将促进沥青路面废物的可持续增值。

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来源期刊

Construction and Building Materials 工程技术-材料科学：综合

CiteScore

13.80

自引率

21.60%

发文量

3632

审稿时长

82 days

期刊介绍： Construction and Building Materials offers an international platform for sharing innovative and original research and development in the realm of construction and building materials, along with their practical applications in new projects and repair practices. The journal publishes a diverse array of pioneering research and application papers, detailing laboratory investigations and, to a limited extent, numerical analyses or reports on full-scale projects. Multi-part papers are discouraged. Additionally, Construction and Building Materials features comprehensive case studies and insightful review articles that contribute to new insights in the field. Our focus is on papers related to construction materials, excluding those on structural engineering, geotechnics, and unbound highway layers. Covered materials and technologies encompass cement, concrete reinforcement, bricks and mortars, additives, corrosion technology, ceramics, timber, steel, polymers, glass fibers, recycled materials, bamboo, rammed earth, non-conventional building materials, bituminous materials, and applications in railway materials.