A 3D reactive transport model for simulation of the chemical reaction process of ASR at microscale

Qiu, Xiujiao; Chen, Jiayi; Ye, Guang; Schutter, Geert De

doi:10.1016/j.cemconres.2021.106640

Cited by 9 publications

(14 citation statements)

References 73 publications

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“…Without the help of alkalis, condensation can happen but is very limited due to the electrostatic repulsive forces between the charged silica ions. The alkalis are able to form a shielding double layer around each silica particle, which reduces the electrostatic repulsive forces and leads to condensation of ASR [28] products. It is also found that K + has a higher shielding capability than Na + due to less strongly bound water, which means less K + is needed than Na + to condensate a same amount of dissolved silica [38].…”

Section: A 3d Reactive Transport Modelmentioning

confidence: 99%

“…Except the equilibrium constant of KSH formation, all other equilibrium constants are collected from [44]. The equilibrium constant of KSH formation is obtained through sensitivity analysis which is stated in [28] due to lacking data in literature. The equilibrium constant of silica dissolution is the solubility of crystal silica in water.…”

Section: A 3d Reactive Transport Modelmentioning

confidence: 99%

“…An alternative approach to fulfill this goal is through numerical simulation. In our previous paper [28], we have proposed a 3D reactive transport model for simulating the chemical reaction process of ASR at microscale in the early stage including the dissolution of silica, the nucleation and growth of ASR product surrogates and the dissolution of calcium hydroxide (CH) and calcium silicate hydrate (C-S-H). The results showed that the proposed model is able to capture the chemical sequences of ASR and to simulate the typical location patterns of ASR products as found in experiments and in field concrete.…”

Section: Introductionmentioning

confidence: 99%

“…In this paper, we utilized the model [28] to simulate the chemical process of ASR under four representative significant influential factors: reactive silica content in aggregate, alkali concentration, silica microstructural disorder degree and aggregate porosity. The size of aggregate is not considered based on the fact that our model focus at microscale.…”

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Insights in the chemical fundamentals of ASR and the role of calcium in the early stage based on a 3D reactive transport model

Qiu

Chen

et al. 2022

Cement and Concrete Research

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Section: A 3d Reactive Transport Modelmentioning

confidence: 99%

Section: A 3d Reactive Transport Modelmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Insights in the chemical fundamentals of ASR and the role of calcium in the early stage based on a 3D reactive transport model

Qiu

Chen

et al. 2022

Cement and Concrete Research

Self Cite

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“…Miura et al [ 30 ] developed a three-dimensional model to investigate the effect of the expansive site position on AAR-effect cracking propagation and interior stress distribution. Qiu et al proposed a method to imitate the microstructure of AAR based on relevant images [ 31 ], and advanced a 3D reactive transport mesoscopic model based on thermodynamic and kinetic theory to simulate the chemical reaction process [ 32 ]. Yang et al [ 33 ] proposed an ASR model to investigate the impacts of temperature and humidity on AAR.…”

Section: Introductionmentioning

confidence: 99%

Mesoscale Modeling Study on Mechanical Deterioration of Alkali–Aggregate Reaction-Affected Concrete

Wang

et al. 2022

Materials

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The alkali–aggregate reaction (AAR) is a harmful chemical reaction that reduces the mechanical properties and weakens the durability of concrete. Different types of activated aggregates may result in various AAR modes, which affect the mechanical deterioration of concrete. In this paper, the aggregate expansion model and the gel pocket model are considered to represent the two well-recognized AAR modes. The mesoscale particle model of concrete was presented to model the AAR expansion process and the splitting tensile behavior of AAR-affected concrete. The numerical results show that different AAR modes have a great influence on the development of AAR in terms of expansion and microcracks and the deterioration of concrete specimens. The AAR mode of the gel pocket model causes slight expansion, but generates microcracks in the concrete at the early stage of AAR. This means there is difficulty in achieving early warning and timely maintenance of AAR-affected concrete structures based on the monitoring expansion. Compared with the aggregate expansion model, more severe cracking can be observed, and a greater loss of tensile strength is achieved at the same AAR expansion in the gel pocket model. AAR modes determine the subsequent reaction process and deterioration, and thus, it is necessary to develop effective detection methods and standards for large concrete projects according to different reactive aggregates.

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Chemically radiative and mixed convection solute transfer in boundary‐layer flow of Jeffrey nanofluid along an inclined stretching cylinder with joule heating and double stratification impacts

et al. 2023

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An endeavor is consummate to study the steady mixed convection solute transfer in two-dimensional viscous fluid. A joule heating incompressible flow along an inclined stretching cylinder and double stratification impact on Jeffrey Nanofluid is scrutinized. Acquired nanomaterial pattern comprises the phenomena of thermophoresis and Brownian motion. By applying rule of approximation transformation, the nonlinear PDEs converted into ODEs. Shooting via Newton Raphson technique is used to solve the ODE'S with boundary conditions into initial conditions, also applying Runge-Kutta-Fehlberg technique of fourth order for numerical purpose. Computation (−1∕2𝑅𝑒 0.5 𝑥 𝐶 𝑓 𝑥 ) for skin friction, (−𝑁 𝑟 𝜃 ′ (0)) for Nusselt, and (−𝜙 ′ (0)) for Sherwood number are fetched in table format by using mathematical software Matlab. The results reveal that 𝑀 (0, 0.3, 0.6, 0.9), 𝛾 (0.1, 0.3, 0.7, 1.3), and 𝛼 (0, 𝜋∕4, 𝜋∕3, 5𝜋∕4) will increase (−1∕2𝑅𝑒 0.5 𝑥 𝐶 𝑓 𝑥 ) upto 7.51, 8.55, and 10.27%, respectively. The behavior of 𝑁 𝑡 on −𝑁 𝑟 𝜃 ′ (0) and (−𝜙 ′ (0)) falling off upto 11.20 and 28.38%, respectively with the increase of 𝑁 𝑡 , but in 𝑁 𝑏 shows opposite reaction on Sherwood number. It is culminated that (𝑓 ′ (𝜂)) for velocity augments with the value of Deborah number of four different sizes (0.8, 1.1, 1.4, and 1.7) upto 14.28, 16.6, and 20% while situation is reversed in case of magnetic factor (0, 0.3, 0.6, 0.9) upto 20, 28.12, and 39.13%. Effect of 𝜃(𝜂) for temperature enhanced with the value of Brownian motion on (0.0, 0.2, 0.4, and 0.6), about 16.66, 20, and 25%, respectively. The maximum effect percentage with radiation factor on 𝜃(𝜂) is 39 and minimum percentage is 25.71. Eckert number on (−4, 0, 4, 8) and thermophoresis on (−0.2, −0.1, 0.1, 0.2) diminished with pile-up Prandtl number on (1.2, 1.5, 1.8, and 2.1). Impact of (𝜙(𝜂)) for concentration and local Sherwood number showed reverse situation on Schmidt number.

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A 3D reactive transport model for simulation of the chemical reaction process of ASR at microscale

Cited by 9 publications

References 73 publications

Insights in the chemical fundamentals of ASR and the role of calcium in the early stage based on a 3D reactive transport model

Insights in the chemical fundamentals of ASR and the role of calcium in the early stage based on a 3D reactive transport model

Mesoscale Modeling Study on Mechanical Deterioration of Alkali–Aggregate Reaction-Affected Concrete

Chemically radiative and mixed convection solute transfer in boundary‐layer flow of Jeffrey nanofluid along an inclined stretching cylinder with joule heating and double stratification impacts

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