Multiple ions transport and interaction in calcium silicate hydrate gel nanopores: Effects of saturation and tortuosity

Li, Yong; Wang, Yuncheng; Xu, Dahai; Zang, Chuyue; Zhang, Yunsheng; Jiang, Jinyang

doi:10.1016/j.conbuildmat.2021.122638

Cited by 10 publications

(4 citation statements)

References 39 publications

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“…The hydration times of ions were further calculated, and the hydration time of sodium and chloride ions in NaCl are 33~35 ps,15~17 ps, and in aqueous solution are 35~39 ps,16~19 ps respectively. The residence times of the different ions are in the reasonable range of the results of the hydration dynamic study [33,37] . The TCF curves of ions with oxygen atoms of silica chains are shown in Fig.…”

Section: Dynamic Properties Of Solutions In the C-s-hsupporting

confidence: 60%

“…The ClayFF force eld [31] is used to describe the interatomic potential of the atoms in the system, the parameters of which are derived from experimental studies and ab initial calculations, and can be obtained from Ref.s [32] . Without a doubt that the ClayFF force eld has been well used to study the molecular structure, ion adsorption and transport of cement-based materials [33] . This simulation relies on the LAMMPS open source software [34] .…”

Section: Force Eld and Simulation Proceduresmentioning

confidence: 99%

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Exploration of saturated transport of ion concentration differences in C-S-H channels

Jin

2023

Preprint

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Understanding the diffusion behavior of solutions containing aggressive ions in saturated C-S-H nanopores is of significant importance. This simulation provides unprecedented microscopic images that reproduce the transport of solutions in saturated C-S-H channels based on molecular dynamics. Specifically, we show that the diffusion behavior of aggressive ions is hindered in saturated pore channels compared to unsaturated transport processes, leading to their reduced permeability. Due to the electrical double layers effect, The NaCl solution invasion in C-S-H nanopores is faster compared to the overflow of aqueous solutions. The hydration shells of anions and cations undergo different changes during the intrusion of ions into the C-S-H nanopores. For chloride ions with larger hydration shell radius, the adsorption capacity of the anion is significantly weakened with increasing pore size. While the hydration shell of sodium ions is more derived from the water molecules in the NaCl and is more easily hindered by the overflow of the aqueous solution in the saturated nanopore.

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Section: Dynamic Properties Of Solutions In the C-s-hsupporting

confidence: 60%

Section: Force Eld and Simulation Proceduresmentioning

confidence: 99%

Exploration of saturated transport of ion concentration differences in C-S-H channels

Jin

2023

Preprint

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“…As illustrated in Figure , the hysteresis loops of the carbonated γ-C 2 S coating and concrete substrate can be regarded as the H3 type. Such types of pores have a greater tortuosity degree, which can inhibit the diffusion of chloride ions . Compared with the carbonated coating, the concrete substrate has a higher adsorption value and a greater hysteresis loop, indicating a greater total porosity and a wider pore size distribution.…”

Section: Resultsmentioning

confidence: 99%

“…Such types of pores have a greater tortuosity degree, which can inhibit the diffusion of chloride ions. 66 Compared with the carbonated coating, the concrete substrate has a higher adsorption value and a greater hysteresis loop, indicating a greater total porosity and a wider pore size distribution. The cumulative pore volume and pore size distribution of the carbonated γ-C 2 S coating and concrete substrate are exhibited in Figure 19.…”

Section: Durabilitymentioning

confidence: 99%

Carbon-Absorbing Inorganic Coating with Ultrahigh Bonding Strength for Concrete: Bonding, Durability Performances, and the Underlying Mechanisms

Huang,

Lei,

Liu

et al. 2024

ACS Sustainable Chem. Eng.

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Inorganic coatings are widely used to protect concrete structures due to their high durability. However, improving the antipenetration performance and bonding strength of these coatings remains a challenge. This study aims to develop an inorganic coating with excellent performances using high-carbonation reactivity γ-dicalcium silicate (γ-C2S) and delve into the underlying mechanisms. This γ-C2S coating exhibits an excellent bonding strength of 5.25 MPa to the concrete substrate by absorbing CO2 and demonstrates great durability, with a bonding strength retention of 90% after 28 days of irradiation. Compared to the noncoated concrete, the capillary water absorption of the coated concrete has decreased by 58%, while the contents of free and total chloride ions in the coated concrete substrate have decreased by 68 and 60%, respectively. Furthermore, the phase assembly and pore structure of the γ-C2S coating were investigated to understand the antipenetration and bonding mechanism. A connecting section was revealed, which positively impacts the bonding strength between the coating and the substrate. This coating-to-substrate interface interaction was further explored to elucidate the underlying mechanisms of the bonding performance of the γ-C2S coating to the concrete substrate.

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Modeling of bidirectional chloride convection-diffusion for corrosion initiation life prediction of RC square piles under drying-wetting cycle

Shi,

Chen,

Shao

2023

Applied Ocean Research

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Multiple ions transport and interaction in calcium silicate hydrate gel nanopores: Effects of saturation and tortuosity

Cited by 10 publications

References 39 publications

Exploration of saturated transport of ion concentration differences in C-S-H channels

Exploration of saturated transport of ion concentration differences in C-S-H channels

Carbon-Absorbing Inorganic Coating with Ultrahigh Bonding Strength for Concrete: Bonding, Durability Performances, and the Underlying Mechanisms

Modeling of bidirectional chloride convection-diffusion for corrosion initiation life prediction of RC square piles under drying-wetting cycle

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