Enhancing water resistance and stability of CFRP/concrete interfaces with silane coupling agents: Insights from nanoscale investigations

IF 5.2 2区 化学 Q2 CHEMISTRY, PHYSICAL Journal of Molecular Liquids Pub Date : 2025-02-21 DOI:10.1016/j.molliq.2025.127213
Yiping Xie , Qi Luo , Te Liang , Xiaoli Xie
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Abstract

The durability and performance of CFRP/concrete structures are critically dependent on the integrity of the epoxy/concrete interface in hydrothermal environments. However, the degradation mechanisms of these interfaces under varying temperature conditions remain underexplored. This study explores the water resistance and stability of epoxy/concrete interfaces under hydrothermal conditions using molecular simulations. The research focuses on how temperature impacts molecular diffusion, hydrogen bonding, and the integrity of the composite interface. Findings reveal that higher temperatures increase the molecular kinetic energy, leading to greater water molecule infiltration and degradation of the interface. Modification with γ-amino-propyltriethoxysilane (SCA) improves adhesion and stability, especially at extreme temperatures, demonstrating the protective effect of SCAs on the C-S-H gel. The study divided the wetting process into three stages: initial adsorption, mixing, and sustained dissociation/stability. At 253 K, the SCA-modified epoxy maintained a stable attachment to the C-S-H substrate, while at 313 K, the modified resin showed enhanced adhesion, increasing the adhesion rate from 17 % to 60 %. The research highlights the protective effect of silane coupling agents on the C-S-H gel, promoting better bonding and reducing atomic diffusion on the surface. The findings provide a theoretical basis for enhancing the durability of CFRP/concrete structures in the hydrothermal environment.

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利用硅烷偶联剂增强 CFRP/混凝土界面的耐水性和稳定性:纳米级研究的启示
CFRP/混凝土结构在水热环境下的耐久性和性能严重依赖于环氧树脂/混凝土界面的完整性。然而,这些界面在不同温度条件下的降解机制仍未得到充分研究。本研究采用分子模拟的方法探讨了水热条件下环氧树脂/混凝土界面的耐水性和稳定性。研究重点是温度对分子扩散、氢键和复合界面完整性的影响。研究结果表明,温度越高,分子动能越大,导致水分子的渗透和界面降解越大。γ-氨基丙基三乙氧基硅烷(SCA)改性提高了C-S-H凝胶的附着力和稳定性,特别是在极端温度下,证明了SCA对C-S-H凝胶的保护作用。该研究将润湿过程分为三个阶段:初始吸附、混合和持续解离/稳定。在253 K时,sca改性的环氧树脂与C-S-H基材保持稳定的附着,而在313 K时,改性树脂的附着力增强,附着力从17%提高到60%。研究强调了硅烷偶联剂对C-S-H凝胶的保护作用,促进了更好的键合,减少了原子在表面的扩散。研究结果为提高CFRP/混凝土结构在热液环境下的耐久性提供了理论依据。
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来源期刊
Journal of Molecular Liquids
Journal of Molecular Liquids 化学-物理:原子、分子和化学物理
CiteScore
10.30
自引率
16.70%
发文量
2597
审稿时长
78 days
期刊介绍: The journal includes papers in the following areas: – Simple organic liquids and mixtures – Ionic liquids – Surfactant solutions (including micelles and vesicles) and liquid interfaces – Colloidal solutions and nanoparticles – Thermotropic and lyotropic liquid crystals – Ferrofluids – Water, aqueous solutions and other hydrogen-bonded liquids – Lubricants, polymer solutions and melts – Molten metals and salts – Phase transitions and critical phenomena in liquids and confined fluids – Self assembly in complex liquids.– Biomolecules in solution The emphasis is on the molecular (or microscopic) understanding of particular liquids or liquid systems, especially concerning structure, dynamics and intermolecular forces. The experimental techniques used may include: – Conventional spectroscopy (mid-IR and far-IR, Raman, NMR, etc.) – Non-linear optics and time resolved spectroscopy (psec, fsec, asec, ISRS, etc.) – Light scattering (Rayleigh, Brillouin, PCS, etc.) – Dielectric relaxation – X-ray and neutron scattering and diffraction. Experimental studies, computer simulations (MD or MC) and analytical theory will be considered for publication; papers just reporting experimental results that do not contribute to the understanding of the fundamentals of molecular and ionic liquids will not be accepted. Only papers of a non-routine nature and advancing the field will be considered for publication.
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