Pore structure characteristics of cementitious materials play a critical role in the transport properties of concrete structures. This paper develops a novel framework for modeling chloride penetration in concrete, considering the pore structure-dependent model parameters. In the framework, a multi-scale transport model was derived by linking the chloride diffusivities with pore size distributions (PSDs). Based on the three-dimensional (3D) microstructure generated by “porous growth” and “hard core-soft shell” methods, two sub-models were computationally developed for determining the multi-modal PSDs and pore size-related chloride diffusivities. The predicted results by these series of models were compared with corresponding experimental data. The results indicated that by adopting pore size-related diffusivities, even if the total porosities were the same, the proposed multi-scale chloride transport model could better capture the effect of different PSDs on chloride penetration profiles, while the model without pore structure-depended parameters would ignore the differences. Compared with the reference transport models, which adopt averaged chloride diffusivities, the chloride penetration depths predicted by the proposed multi-scale model are in better agreement with experimental data, with 10%–25% reduced prediction error. This multi-scale transport model is hoped to provide a novel computational approach on 3D microstructure generation and better reveal the underlying mechanism of the chloride penetration process in concrete from a microscopic perspective.@en

Understanding the transport mechanisms within unsaturated porous media is essential to the durability problems associated with cement-based materials. However, the involvement of multi-ions electrochemical coupling effect, especially under unsaturated condition makes the transport mechanisms even more complex. In this study, the moisture and multi-ionic transport in unsaturated concrete have been modeled in three-dimensional cases. The contribution from both water vapor and liquid has been considered in moisture transport. By adopting the constitutive electrochemical law, the electrostatic potential induced by inherent charge imbalance was calculated. With parameter calibration, the numerical results agreed well with the experimental data, proving the validity of the presented model. Results from a parametric analysis showed that neglecting multi-ions coupling effect will lead to an underestimated chloride concentration, and saturated degree has an obvious impact on the coupling strength among different ions. In addition, the existence of coarse aggregates will not only block mass transport but also make the discrepancies between two-dimensional model and three-dimensional model results more obvious. Other findings which have not been reported in existing studies are also highlighted.

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This paper develops a novel lattice diffusive model to quantitatively study the chloride diffusion coefficient in unsaturated cementitious materials, in which the pore voxels are redistributed to make a better representation of a real microstructure of hardened cement paste. Considering the hierarchical microstructure and different drying-wetting cycles, water distributions in multiscale pore structures are modelled and the structure characteristics of water-filled pores, including water connectivity, water tortuosity and effective porosity, are computationally extracted based on that. A lattice diffusion network is established to predict relative chloride diffusion coefficient by combining the effect of both water saturation degree and pore structure characteristics. The predicted results are validated against experimental data, and a concise analytical equation is proposed to predict the relative chloride diffusion coefficient. The equation indicated that the relative chloride diffusion coefficient is proportional to water connectivity but inversely proportional to the square of water tortuosity. Besides, the lattice model's quantitative results reveal that the water connectivity and water tortuosity are highly related to pre-water loading processes, and influenced by the gel pore fraction, which in turn will affect the relative chloride diffusion coefficient. Compared with existing equations and non-redistributed models, the present model could improve the prediction accuracy significantly.

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Cementitious materials exposed to marine and saline environments are commonly threatened by a combined attack of sulfate and chloride ions. This study developed a numerical framework to investigate two combined coupling mechanisms of 1) coupled solid-liquid chemical reactions for competitive chloride-sulfate attack and 2) electrostatic multi-ion coupling effect on reactive-transport mechanisms. Various chemical reactions including sulfate attack with anhydrous calcium aluminates, secondary precipitation of expansive minerals, competitive binding, and calcium leaching have been quantified. The electrostatic potential caused by multi-ions coupling was solved according to constitutive electrochemical laws. After model validation, the chemical coupling mechanisms for solid-liquid reactions during competitive chloride-sulfate binding were investigated. On this foundation, the influence of electrostatic multi-ionic coupling effects on ionic transport and its interaction with chemical coupling were disclosed. It was found that neglecting multi-ions coupling effect would result in an underestimated chemical coupling strength in competitive chloride-sulfate binding.

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In circumstances with wastewater and seawater, the behavior of multi-ions including calcium, chloride and others in concrete attracts attention. The present study investigated the multiple mechanisms that could happen under the special field situation above, including calcium leaching, chloride transport and multi-ion coupling. To realize the interactive ingress of multi ions, the simulation method for the processing of the individual mechanisms and the mutual influences is adopted. The distributions of the diversified ions are analyzed with the influence of the interfacial transition zone. The time-spatial distribution of porosity and its evolution mechanisms are investigated by considering the interaction with calcium ions in both pore solution and solid phase. The results indicate that calcium leaching would dominantly speed up chloride transport due to the coarsened pore structure, while the multi ions electrochemical coupling effect would facilitate calcium leaching in the early stage but subtly delay calcium leaching in the later stage.@en

High-frequency vibration helps to improve the compactness of concrete, but also causes the settlement of coarse aggregates (CAs) and then affects the durability of hardened concrete. In this paper, a numerical study combining multi-phase CA settlement model and multi-component ionic transport model is performed to understand the influence of vibration-induced settlement on long-term chloride transport in concrete. Through parametric analysis, the influence mechanism of relevant factors on both chloride profile distribution and reinforcement corrosion initiation is discussed in detail. The results indicate that with the increase of vibration time, a decrease of chloride concentration appears in the bottom part of concrete specimen and a significant increase in the top part, because more CAs deposit in the bottom layer. Due to sedimentation, a more obvious fluctuation of chloride concentration along the height direction can be observed in the concrete mixed with a larger density and particle size of CAs. According to the model prediction, the corrosion of the top steel bar initiates 1.03–1.80 years earlier than that of the bottom steel bar under the same parameters. In practical engineering, special attention should be paid on the stability of fresh concrete and vibrating procedures to avoid obvious CA settlement.

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Reinforced concrete (RC) structures may suffer from serious durability problems during long-term service. To investigate the deterioration of RC structures subjected to the dual attacks of chlorides and sulfates, this study proposes a coupled model for external sulfate attack (ESA) and its effect on chloride binding and diffusion. To account for the influence of sulfate attack on chloride binding, a reduction function is proposed. The effect of sulfate-induced damage on the chloride diffusion and chloride binding is considered through a damage function. The coupled model is validated against third-party experimental data from multiple perspectives. Some important factors such as solution concentration, immersion time, curing time and water-cement ratio, as well as how these factors affect the impact of sulfate attack on chloride transport, were elaborated. The findings may bring insights to the durability design of RC structures serving in harsh environments.@en

Fresh concrete needs vibration to compact, fill the mould and reach a dense state. During the compaction process, coarse aggregates (CAs) tend to settle, affecting the homogeneity and eventually the long-term durability of hardened concrete. In this study, a 3-D, multi-phase numerical model for fresh concrete is developed for better understanding the CA settlement under vibration. The settlement rate of the CA in vibrated concrete is considered based on the Stokes law, and the calibrated rheological parameter of mixtures is determined by the segmented sieving method. The model prediction shows that the vibration time has the greatest effect on CA settlement, followed by the particle size of CAs, whereas the density of CAs and the plastic viscosity of mixtures contribute a little compared with the aforementioned factors. Through experimental tests, the validity of prediction results is well verified. The proposed model provides a new method to understand and estimate the settlement behaviour of CAs.@en

This study explores the effects of different types of nanoparticles, namely nano-SiO₂ (NS), nano-TiO₂ (NT), and nano-Fe₂O₃ (NF) on the fresh properties, mechanical properties, and microstructure of cement mortar containing fly ash as a supplementary cementitious material. These nanoparticles existed in powder form and were incorporated into the mortar at the dosages of 1%, 3%, and 5% wt.% of cement. Also, fly ash has been added into in mortars with a constant dosage of 30% wt.% of cement. Compressive and flexural strength tests were performed to evaluate the mechanical properties of the mortar specimens with different nanoparticles at three curing ages, 7, 14, and 28 days. Scanning Electron Microscopy (SEM) and Energy Dispersive X-ray (EDX) tests were conducted to study the microstructure and the hydration products of the mortars. To elucidate the effects of nanoparticles on the binder phase, additional experiments were performed on accompanying cement pastes: nanoindentation and open porosity measurements. The study shows that, if added in appropriate amounts, all nanoparticles investigated can result in significantly improved mechanical properties compared to the reference materials. However, exceeding of the optimal concentration results in clustering of the nanoparticles and reduces the mechanical properties of the composites, which is accompanied with increasing the porosity. This study provides guidelines for further improvement of concretes with blended cements through use of nanoparticles.

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