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Ion transport in C-S-H: a molecular dynamic simulation study



Author(s): D.S. Hou, Z.J. Li
Paper category: Conference
Book title: 2nd International conference on Microstructural-related Durability of Cementitious Composites
Editor(s): Guang Ye, K. Van Breugel, Wei Sun, Changwen Miao
Print ISBN: 978-2-35158-129-2
e-ISBN: 978-2-35158-123-0
Publisher: RILEM Publications SARL
Pages: 1005 - 1013
Total Pages: 8
Language: English


Abstract: 
Ion corrosion in cement-based materials, a typical phenomenon in coastal buildings, can result in the serious damage of the materials. The transportation of ions in concrete has been studied for many years. Previous studies emphasized on transport properties in micro scale and established the relationship between the pore structure distribution and the diffusion coefficients in micro-structure. However, C-S-H, the basic brick of the cement material, in nano-scale determines the transport properties in the large scale. Yet diffusion experiments in macro-scale, provides limited information on the C-S-H transport properties. With increasing information about the crystal structure of C-S-H, molecular dynamics, a computational methodology, can be used to investigate diffusion in C-S-H at nano-scale. This paper proposes a reasonable pore structure in nano-scale and simulates different ions diffusion in the C-S-H. The influence of different factors on the diffusion phenomena, including pore size, different ions species have been studied. Additional effort also is made to study the inter-face structure in order to achieve the information about water and ions distribution between nano-pore.


Online publication: 2013
Publication Type: full_text
Public price (Euros): 0.00