Molecular design and experiment of ion transport inhibitors towards concrete sustainability

Huang, Jiale; Chen, Ruixing; Zhou, Yang; Jin, Ming; Liu, Jiaping

doi:10.1016/j.cemconcomp.2022.104710

Cited by 8 publications

(3 citation statements)

References 55 publications

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“…However, for organic coatings, a portion of functional groups are used to cross-link their molecular chains, reducing the number of functional groups having complexation with Ca 2+ . Moreover, the complexation interaction is highly dependent on the environment temperature, pH value, and distance between functional groups and Ca 2+ , which can further decrease the bonding performance of coatings. , It is reported that the interactions between functional groups and Ca 2+ were in a range of 8.37–205.02 kJ/mol, , which are far lower than those of SiO 4 tetrahedra that have a range of 454–800 kJ/mol. , …”

Section: Resultsmentioning

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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Section: Resultsmentioning

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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“…This implies that the interaction between TRI and the C 3 S surface is not solely based on a Ca−O bonding network; there is also a presence of hydrogen bonding networks. However, previous studies 10,38 have shown that hydrogen bonding networks are less stable compared to Ca−O bonding networks and are susceptible to disruption by water molecules. Considering the analysis presented earlier, we propose that the adsorption and desorption of TRI on the C 3 S surface likely result from the dynamic evolution of TRI−C 3 S interactions influenced by water molecule disturbances.…”

Section: Interaction Between C 3 S and Aqueous Solutionmentioning

confidence: 92%

“…For instance, Mishra et al 9 delved into the adsorption mechanism of organic agents at the cement interface, quantitatively elucidating aggregation parameters for distinct grinding aids at the tricalcium silicate (C 3 S) interface. The interaction of ion transport inhibitors at the capillary interface of hydration products was examined by Huang et al, 10 employing drug delivery concepts. They subsequently developed a constitutive model involving organic matter to counter salt ion erosion.…”

Section: Introductionmentioning

confidence: 99%

Elucidating the Synergistic Effects of Temperature Rise Inhibitor at the Water Tricalcium Silicate Interface

Huang,

Aretxabaleta,

Yan

et al. 2024

J. Phys. Chem. C

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Organic−inorganic composites play a crucial role in modulating concrete properties, encompassing interfacial interactions and their synergistic mechanisms. Unraveling these interactions presents a formidable challenge. In this study, molecular dynamics simulations were employed to probe the intricate structure, competition, and equilibrium state of interfacial connections involving a temperature rise inhibitor (TRI), C 3 S, and water. Computational results reveal that the interplay of different bonding networks significantly influences the equilibrium state of the C 3 S−TRI interfacial interactions, marked by dynamic adsorption− desorption equilibria. The interaction between C 3 S and TRI manifests in intricate calcium−oxygen and hydrogen bonding networks, which are both easily disturbed by water molecules. Oxygen sites in water serve as binding sites for calcium atoms in C 3 S and hydrogen atoms in TRI, thereby attenuating the C 3 S−TRI bonding. Simultaneously, hydrogen sites in water engage with oxygen sites in the TRI, diminishing calcium−oxygen bonding and prompting the detachment of TRI from the C 3 S surface. Moreover, these hydrogen sites interact with the oxygen sites on the C 3 S surface, inducing lattice structure alterations and removal of calcium atoms from C 3 S. As TRI detaches into the liquid phase, it forms complexes with calcium ions, reducing the migration rate of calcium ions within the liquid phase. This study represents the inaugural comprehensive evaluation of the interfacial interaction mechanism between TRI, C 3 S, and water, offering fundamental insights into the impact of TRI on the evolution of the C 3 S phase. These findings contribute to a deeper understanding of the complex interplay governing concrete properties, paving the way for enhanced control and optimization in concrete technology.

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Effect of drying method on calcium silicate hydrate (C-S-H): Experiments and molecular dynamics simulations study

Ma,

Jin,

et al. 2024

Construction and Building Materials

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Molecular design and experiment of ion transport inhibitors towards concrete sustainability

Cited by 8 publications

References 55 publications

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

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

Elucidating the Synergistic Effects of Temperature Rise Inhibitor at the Water Tricalcium Silicate Interface

Effect of drying method on calcium silicate hydrate (C-S-H): Experiments and molecular dynamics simulations study

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