The inhibiting effect and mechanisms of smart polymers on the transport of fluids throughout nano-channels

Zhou, Yang; Cai, Jingshun; Hou, Dongshuai; Chang, Honglei; Yu, Jiao

doi:10.1016/j.apsusc.2019.144019

Cited by 19 publications

(8 citation statements)

References 51 publications

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“…However, there are still some problems with these common methods, such as increasing the shrinkage of concrete, affecting workability, and making dispersion difficult in highly aggressive environments. Currently, hydrophobic- or superhydrophobic-modified cement-based material has obtained widespread attention because of its excellent medium transmission resistance and great application potential [ 13 , 14 , 15 , 16 , 17 , 18 , 19 , 20 , 21 , 22 , 23 , 24 , 25 ]. The hydrophobic methods of concrete include surface hydrophobic and integral hydrophobic treatments.…”

Section: Introductionmentioning

confidence: 99%

“…Integral hydrophobic treatment has the advantage of not being easily affected by surface erosion, so this technique has been widely studied in recent years. Fatty acid and silane emulsion are both typical internal hydrophobic substances; in addition, hydration-responsive nano-materials or smart polymers can also be considered as newly hydrophobic admixtures [ 18 , 19 , 20 , 21 , 22 , 23 , 24 , 25 ]. The integral hydrophobic treatment can reduce water absorption approximately 80%, decreasing the aggressive ions’ permeability and improving the corrosion resistance of cement-based materials.…”

Section: Introductionmentioning

confidence: 99%

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Influence of a Nano-Hydrophobic Admixture on Concrete Durability and Steel Corrosion

Cai

Ran

et al. 2022

Materials

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Steel corrosion is major reason of the deterioration of reinforced concrete structures. Decreasing the transportation of erosion ions in concrete is one of effective methods to protect the steel from corrosion. In the present work, a novel nano-hydrophobic admixture is introduced to improve the ion-diffusion properties and the corrosion resistance of reinforced steel. Compared with unmodified concrete, the nano-hydrophobic admixture effectively decreases the water adsorption, water evaporation, and chloride ions transport in a concrete structure, and then improved the concrete’s durability. The concrete’s water adsorption decreased more than 78%, and the initial corrosion time of reinforced steel is prolonged more than one time by treatment with the nano-hydrophobic admixture. The inhibition penetration of the medium in concrete modified by hydrophobic nanoparticles is the key to provide the protective properties of steel reinforcement from chloride erosion.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Influence of a Nano-Hydrophobic Admixture on Concrete Durability and Steel Corrosion

Cai

Ran

et al. 2022

Materials

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“…In such a scenario, molecular simulations have been employed to reveal the structure [35][36][37][38] mechanical properties [39][40][41][42] and interfacial interaction of cement-based materials [43][44][45]. Meanwhile, molecular dynamics can also simulate the fluid percolation phenomenon in the C-S-H channel [46,47] and adjust the percolation rate of concrete pores by designing a corresponding transport inhibitor agent to prevent erosion ions from entering the concrete through the pores, further improving the durability of concrete and reducing the corrosion maintenance cost.…”

Section: Introductionmentioning

confidence: 99%

Mechanisms and Critical Technologies of Transport Inhibitor Agent (TIA) throughout C-S-H Nano-Channels

Luo

Huang

2022

Materials

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The critical issue of the durability of marine concrete lies in the continuous penetration and rapid enrichment of corrosive ions. Here a new ion transfer inhibitor, as TIA, with calcium silicate hydrate (C-S-H) interfacial affinity and hydrophobicity is proposed through insights from molecular dynamics into the percolation behavior of the ion solution in C-S-H nano-channels and combined with molecular design concepts. One side of the TIA can be adsorbed on the surface of the cement matrix and can form clusters of corrosive ions to block the gel pores so as to resist the ion solution percolation process. Its other side is structured as a hydrophobic carbon chain, similar to a door hinge, which can stick to the matrix surface smoothly before the erosion solution is percolated. It can then change into a perpendicular chain shape to reduce the percolation channel’s diameter and thereby inhibit the percolation when ions meet the inhibitor. Therefore, once the erosion solution contacts TIA, it can quickly chelate with calcium ions and erosion ions at the interface to form clusters and compact pores. In addition, the water absorption, chloride migration coefficient, and chloride content of concrete samples decreased significantly after adding TIA, proving that TIA can effectively enhance the durability of cement-based materials. The structure–activity relationship of ion transfer that is proposed can provide new ideas for solving the critical problems of durability of cement-based materials and polymer molecular design.

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“…The polymer film restricts the development of pores and greatly improves impermeability. So far, some nanohydrophobic agents, made from low-molecular-weight polymers with the functional groups of silane or carboxyl, have been invented to limit the transport of fluids through these nanochannels. ,− It is reported that these agents can stably adsorb on the surface of nanopores by covalent or ionic connections, which block the effective transport path of fluids. ,,− However, direct evidence on this nanoscale mechanism is still missing due to the resolution limitations of laboratory equipment.…”

Section: Introductionmentioning

confidence: 99%

“…The transport of fluids, the configuration of polymer chains, and interfacial interaction details can be unraveled by MD simulations. ,− It has been widely used in the fields of computational chemistry, , materials science, drug design, and biophysics. , Yang et al used molecular simulation to study the transport mechanism of water and chloride ions within C-S-H nanopores and declared that C-S-H exhibits a hydrophilic surface. Zhou et al , studied a polymer-based aggressive ion transport inhibitor, which could significantly reduce the migration rate of chloride. By employing molecular dynamics, they found the underlying mechanism that carboxyl groups of polymers could strongly attract the negatively charged C-S-H surface, which allowed the rest of the hydrophobic groups to inhibit the transport of fluids into the nanochannel of C-S-H.…”

Section: Introductionmentioning

confidence: 99%

The Optimal Design on the Molecular Structure of a Fluid Transport Inhibitor Applied to Reinforced Concrete Structures

et al. 2021

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Inhibiting the penetration of water molecules and aggressive ions is of considerable significance in improving the durability of reinforced concrete structures. In this work, molecular dynamics(MD) is employed to design a high-efficiency organic fluid transport inhibitor. MD results indicate that there is mutual complementation between the hydrophilic and hydrophobic functional groups in the chemical structure of this polymer. One end with the carboxyl groups can stably adsorb on the surface of the cementitious matrix due to the strong attraction from calcium ions. Simultaneously, the rest of the hydrophobic part of the polymer can stand up to maximize the repelling effect on the penetration of fluids. Furthermore, for high cost-effectiveness performance, the minimum number and the optimum position of the carboxyl groups of one polymer inhibitor have been determined. As the molecular structure contains two hydrophilic groups, only if located at the same end, the polymer chain can display the most preferable adsorption morphology.

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The inhibiting effect and mechanisms of smart polymers on the transport of fluids throughout nano-channels

Cited by 19 publications

References 51 publications

Influence of a Nano-Hydrophobic Admixture on Concrete Durability and Steel Corrosion

Influence of a Nano-Hydrophobic Admixture on Concrete Durability and Steel Corrosion

Mechanisms and Critical Technologies of Transport Inhibitor Agent (TIA) throughout C-S-H Nano-Channels

The Optimal Design on the Molecular Structure of a Fluid Transport Inhibitor Applied to Reinforced Concrete Structures

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