Transport Properties of Solutions in γ–FeOOH/CSH Pores of Steel Fiber-Reinforced Concrete (SFRC) Derived Using Molecular Dynamics
Yalin Luan, Runan Wang, Changxin Huang, Andrey Jivkov, Lianzhen Zhang
TL;DR
This study uses molecular dynamics to explore how water and ions move through pores in steel fiber-reinforced concrete, showing that narrower pores and certain chemical interactions slow down transport.
Contribution
The paper introduces a molecular dynamics investigation of solution transport in γ–FeOOH/CSH pores of steel fiber-reinforced concrete, revealing ion-specific interactions and pore size effects.
Findings
Water penetration depth in NaCl solution increases parabolically with time.
Narrower pores reduce transport rates and cause ion clustering at inlets.
Solutions move faster along the CSH side than the γ–FeOOH side, slowing ion and water transport.
Abstract
Steel fiber-reinforced concrete structures designed for marine environments can become compromised by the ingress of water and ions. Water and ion transport through the pores between steel fibers and concrete gels significantly affects the durability of such structures, but the mechanisms of this transport are not sufficiently understood. Reported here is a molecular dynamics-based investigation of the transport of water, NaCl, Na2SO4, and mixed solutions of NaCl and Na2SO4 through γ–FeOOH/CSH pores. The effect of pore width on the capillary transport of NaCl + Na2SO4 solutions was also investigated and reported. It is shown that the depth of water penetration in NaCl solution increases parabolically with time. It is further shown that the CSH surface forms bonds with different ions to form Na–OCSH, Cl–CaCSH, and S–CaCSH compounds, which results in reduced rates of solution transport.…
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Taxonomy
TopicsConcrete and Cement Materials Research · Concrete Corrosion and Durability · Innovative concrete reinforcement materials