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<p>Traditional cement-based grouting materials exhibit inadequate toughness, poor interfacial bonding performance, and limited durability, which restrict their application in engineering structures such as tunnels. This study systematically investigates the enhancement mechanisms and interfacial reinforcement effects of waterborne epoxy resin (WER) on the performance of calcium sulfoaluminate grouting materials (WECG) by integrating experimental investigations with molecular dynamics simulations. The primary focus is on analyzing the influences of WER dosage and the water-to-cement ratio (W/C) on the setting time, water bleeding, fluidity, and mechanical properties of the grout. The results indicate that the incorporation of WER significantly improves the flexural and compressive strengths of WECG, with maximum increases of 34.8 and 33%, respectively, while effectively reducing water bleeding and delaying the setting time. Microstructural analysis demonstrates that WER forms an interpenetrating network structure with hydration products, thereby enhancing interfacial bonding and increasing matrix density. Molecular dynamics (MD) simulations at the atomic scale elucidate the “bridging” role of calcium ions at the interface between ettringite and WER through Ca–O coordination bonds, clarifying the micro-mechanisms of interface reinforcement.</p>

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Interfacial enhancement mechanisms in epoxy resin-modified calcium sulfoaluminate cement grouts: an integrated experimental and molecular dynamics study

  • 期刊论文

  • 发表日期：

    2026年1月5日

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  • Yan Ai,
  • Yiguo Xue,
  • Fanmeng Kong,
  • Jinrui Duan,
  • Longfei Lu

摘要

Traditional cement-based grouting materials exhibit inadequate toughness, poor interfacial bonding performance, and limited durability, which restrict their application in engineering structures such as tunnels. This study systematically investigates the enhancement mechanisms and interfacial reinforcement effects of waterborne epoxy resin (WER) on the performance of calcium sulfoaluminate grouting materials (WECG) by integrating experimental investigations with molecular dynamics simulations. The primary focus is on analyzing the influences of WER dosage and the water-to-cement ratio (W/C) on the setting time, water bleeding, fluidity, and mechanical properties of the grout. The results indicate that the incorporation of WER significantly improves the flexural and compressive strengths of WECG, with maximum increases of 34.8 and 33%, respectively, while effectively reducing water bleeding and delaying the setting time. Microstructural analysis demonstrates that WER forms an interpenetrating network structure with hydration products, thereby enhancing interfacial bonding and increasing matrix density. Molecular dynamics (MD) simulations at the atomic scale elucidate the “bridging” role of calcium ions at the interface between ettringite and WER through Ca–O coordination bonds, clarifying the micro-mechanisms of interface reinforcement.