Water and chloride ions migration in porous cementitious materials: An experimental and molecular dynamics investigation
Water and chloride ions migration in porous cementitious materials: An experimental and molecular dynamics investigation
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多孔胶凝材料中水和氯离子的迁移：实验和分子动力学研究
DOI：
10.1016/j.cemconres.2017.09.010
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发表时间：
2017-12
影响因子：
11.4
通讯作者：
Jiao Yua
中科院分区：
文献类型：
--
作者：
PengZhang;Dongshuai Hou;Qing Liu;Zhaolin Liu;Jiao Yua
对水和氯离子在多孔砂浆中的相互作用进行了实验研究，并采用分子动力学方法进行了模拟。通过中子射线照相和氯离子渗透电子探针显微分析可视化的水分布表明，在渗透过程中发生氯离子与水的分离，并且水比氯离子更深地进入材料。不同水灰比下，水渗透深度与氯离子渗透深度之间的关系可用线性函数描述。此外，分子动力学将水和离子在多孔胶凝材料中不同的迁移机理归结为三个方面：水化产物的纳米结构对具有较大水化壳层的氯离子起到过滤作用，与水相比，由于界面结合较强，离子在硅酸钙表面停留的时间较长;氯离子聚集形成CaCl离子团簇，减缓了迁移速率。
The interactions of water and chloride ions penetration into porous mortar have been investigated experimentally and modelled by molecular dynamics. The water distribution visualized by neutron radiography and chloride penetration by Electron Probe Micro-Analysis indicate that separation of chloride ions from water during the penetration process took place and water ran much deeper into the material than chloride ions. The relationship between the penetration depth of water and chloride ions can be described by a linear function despite different water-cement ratio. Furthermore, molecular dynamics attributes the different transport mechanisms of water and ions in porous cementitious materials to three reasons: the nanostructure of hydration product play filtering role to screen chloride ions with larger hydration shell; as compared with water, ions reside in the calcium silicate surface for longer time due to the strong interfacial bonding; chloride ions accumulate and form CaCl ionic cluster, slowing down the migrating rate.
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影响因子：
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作者：
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通讯作者：
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作者：
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通讯作者：
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影响因子：
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作者：
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通讯作者：
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