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Impact of polymer binders on the aggregation modes of two-pieces CSH composites
Cement and Concrete Research ( IF 10.9 ) Pub Date : 2024-12-29 , DOI: 10.1016/j.cemconres.2024.107779
Jiwei Jia, Ali Zaoui, W. Sekkal

Using polymer binders in cementitious materials significantly boosts their structural stability and durability for civil engineering applications. This study explored the role of polymeric binders in enhancing the morphological stability of calcium silicate hydrates (CSH) paste through molecular dynamics simulations. Most pure CSH configurations displayed larger voids and decreased stability, especially when the particles were initially spaced further apart. Among the tested polymers, polyvinyl alcohol (PVA) showed the most robust bonding to CSH, attributed to its abundant -OH groups. The integration of polymers led to a shift in aggregation toward a more stable face-to-face (FF) configuration, increasing the contact area, and boosting overall stability. At large distances, the Coulombic force acted aggregation in the initial phase but is soon overtaken by the vdW force, which plays the primary role in driving the aggregation process. These findings corroborate existing theoretical models and introduce fresh insights from experimental organic-inorganic interactions, providing substantial implications for the development of advanced cementitious composites.

中文翻译:


聚合物粘结剂对两件式 CSH 复合材料聚集模式的影响



在胶凝材料中使用聚合物粘合剂可显著提高其在土木工程应用中的结构稳定性和耐久性。本研究通过分子动力学模拟探讨了聚合物粘合剂在增强硅酸钙水合物 (CSH) 浆料形态稳定性中的作用。大多数纯 CSH 配置显示出更大的空隙和较低的稳定性,尤其是当颗粒最初间隔得更远时。在测试的聚合物中,聚乙烯醇 (PVA) 显示出与 CSH 最牢固的结合,这归因于其丰富的 -OH 基团。聚合物的集成导致聚集转向更稳定的面对面 (FF) 配置,增加了接触面积,并提高了整体稳定性。在很远的距离上,库仑力在初始阶段起到聚集作用,但很快就被 vdW 力所取代,后者在驱动聚集过程中起主要作用。这些发现证实了现有的理论模型,并从实验有机-无机相互作用中引入了新的见解,为先进水泥基复合材料的开发提供了实质性的启示。
更新日期:2024-12-29
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