• Title/Summary/Keyword: hydration reaction model

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Mathematical Modeling of Degree of Hydration and Adiabatic Temperature Rise (콘크리트의 수화도 및 단열온도상승량 예측모델 개발)

  • 차수원
    • Journal of the Korea Concrete Institute
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    • v.14 no.1
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    • pp.118-125
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    • 2002
  • Hydration is the main reason for the growth of the material properties. An exact parameter to control the chemical and physical process is not the time, but the degree of hydration. Therefore, it is reasonable that development of all material properties and the formation of microstructure should be formulated in terms of degree of hydration. Mathematical formulation of degree of hydration is based on combination of reaction rate functions. The effect of moisture conditions as well as temperature on the rate of reaction is considered in the degree of hydration model. This effect is subdivided into two contributions: water shortage and water distribution. The former is associated with the effect of W/C ratio on the progress of hydration. The water needed for progress of hydration do not exist and there is not enough space for the reaction products to form. The tatter is associated with the effect of free capillary water distribution in the pore system. Physically absorption layer does not contribute to progress of hydration and only free water is available for further hydration. In this study, the effects of chemical composition of cement, W/C ratio, temperature, and moisture conditions on the degree of hydration are considered. Parameters that can be used to indicate or approximate the real degree of hydration are liberated heat of hydration, amount of chemically bound water, and chemical shrinkage, etc. Thus, the degree of heat liberation and adiabatic temperature rise could be determined by prediction of degree of hydration.

Interaction Metal Ions with NADH Model Compounds. Cupric Ion Oxidation of Dihydronicotinamides

  • Park, Joon-Woo;Yun, Sung-Hoe;Koh Park, Kwang-Hee
    • Bulletin of the Korean Chemical Society
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    • v.9 no.5
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    • pp.298-303
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    • 1988
  • Kinetic studies on cupric ion ($Cu^{2+}$) oxidation of 1-benzyl- and 1-aryl-1,4-dihydronicotinamides (XNAH) in aqueous solution were performed. In the presence of dioxygen ($O_2$), the reaction followed first order kinetics with respect to both XNAH and $Cu^{2+}$. The oxidation reaction was found to be independent and parallel to the acid-catalyzed hydration reaction of XNAH. The catalytic role of $Cu^{2+}$ for the oxidation of XNAH in the presence of $O_2$ was attributed to $Cu^{2+}/Cu^+$ redox cycle by the reactions with XNAH and $O_2$. The second order rate constants of the Cu2+ oxidation reaction kCu, and acid-catalyzed hydration reaction $k_H$ were strongly dependent on the nature of the substituents in 1-aryl moiety. The slopes of log $k_{Cu}$ vs log $K_H$ and log $k_{Cu}$ vs ${\sigma}_p$ of the substituents plots were 1.64 and -2.2, respectively. This revealed the greater sensitivity of the oxidation reaction rate to the electron density on the ring nitrogen than the hydration reaction rate. A concerted two-electron transfer route involving XNAH-$Cu^{2+}$ complex was proposed for mechanism of the oxidation reaction.

Modeling of chloride diffusion in a hydrating concrete incorporating silica fume

  • Wang, Xiao-Yong;Park, Ki-Bong;Lee, Han-Seung
    • Computers and Concrete
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    • v.10 no.5
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    • pp.523-539
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    • 2012
  • Silica fume has long been used as a mineral admixture to improve the durability and produce high strength and high performance concrete. And in marine and coastal environments, penetration of chloride ions is one of the main mechanisms causing concrete reinforcement corrosion. In this paper, we proposed a numerical procedure to predict the chloride diffusion in a hydrating silica fume blended concrete. This numerical procedure includes two parts: a hydration model and a chloride diffusion model. The hydration model starts with mix proportions of silica fume blended concrete and considers Portland cement hydration and silica fume reaction respectively. By using the hydration model, the evolution of properties of silica fume blended concrete is predicted as a function of curing age and these properties are adopted as input parameters for the chloride penetration model. Furthermore, based on the modeling of physicochemical processes of diffusion of chloride ion into concrete, the chloride distribution in silica fume blended concrete is evaluated. The prediction results agree well with experiment results of chloride ion concentrations in the hydrating concrete incorporating silica fume.

Prediction of chloride penetration into hardening concrete (경화중 콘크리트의 염해 침투성능에 관한 연구)

  • Fan, Wei-Jie;Wang, Xiao-Yong
    • Proceedings of the Korean Institute of Building Construction Conference
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    • 2015.05a
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    • pp.50-51
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    • 2015
  • In marine and coastal environments, penetration of chloride ions is one of the main mechanisms causing concrete reinforcement corrosion. Currently, most of experimental investigations about submerged penetration of chloride ions are started after the four weeks standard curing of concrete. The further hydration of cement and reduction of chloride diffusivity during submerged penetration period are ignored. To overcome this weak point, this paper presents a numerical procedure to analyze simultaneously cement hydration reaction and chloride ion penetration process. First, using a cement hydration model, degree of hydration and phase volume fractions of hardening concrete are determined. Second, the dependences of chloride diffusivity and chloride binding capacity on age of concrete are clarified. Third, chloride profiles in hardening concrete are calculated. The proposed numerical procedure is verified by using chloride penetration test results of concrete with different mixing proportions.

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A Hydration based Model for Chloride Penetration into Slag blended High Performance Concrete

  • Shin, Ki-Su;Park, Ki-Bong;Wang, Xiao-Yong
    • Architectural research
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    • v.20 no.1
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    • pp.27-34
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    • 2018
  • To improve the chloride ingress resistance of concrete, slag is widely used as a mineral admixture in concrete industry. And currently, most of experimental investigations about non steady state diffusion tests of chloride penetration are started after four weeks standard curing of concrete. For slag blended concrete, during submerged chloride penetration tests periods, binder reaction proceeds continuously, and chloride diffusivity decreases. However, so far the dependence of chloride ingress on curing ages are not detailed considered. To address this disadvantage, this paper shows a numerical procedure to analyze simultaneously binder hydration reactions and chloride ion penetration process. First, using a slag blended cement hydration model, degree of reactions of binders, combined water, and capillary porosity of hardening blended concrete are determined. Second, the dependences of chloride diffusivity on capillary porosity of slag blended concrete are clarified. Third, by considering time dependent chloride diffusivity and surface chloride content, chloride penetration profiles in hardening concrete are calculated. The proposed prediction model is verified through chloride immersion penetration test results of concrete with different water to binder ratios and slag contents.

Integrated Modeling of Chloride Binding Isotherm of Concrete Based on Physical and Chemical Mechanisms (물리화학적 메커니즘에 기이한 큰크리트의 염화물 흡착 등온에 대한 모델링)

  • Yoon, In-Seok
    • Proceedings of the Korea Concrete Institute Conference
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    • 2006.11a
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    • pp.537-540
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    • 2006
  • Over the past few decades, a considerable number of studies on the durability of concrete have been carried out extensively. A lot of improvements have been achieved especially in modeling of ionic flows. However, the majority of these researches have not dealt with the chloride binding isotherm based on the mechanism, although chloride binding capacity can significantly impact on the total service life of concrete under marine environment. The purpose of this study is to develop the model of chloride binding isotherm based on the individual mechanism. It is well known that chlorides ions in concrete can be present; free chlorides dissolved in the pore solution, chemical bound chlorides reacted with the hydration compounds of cement, and physical bound attracted to the surface of C-S-H grains. First, sub-model for water soluble chloride content is suggested as a function of pore solution and degree of saturation. Second, chemical model is suggested separately to estimate the response of binding capacity due to C-S-H and Friedel's salt. Finally, physical bound chloride content is estimated to consider a surface area of C-S-H nano-grains and the distance limited by the Van der Waals force. The new model of chloride binding isotherm suggested in this study is based on their intrinsic binding mechanisms and hydration reaction of concrete. Accordingly, it is possible to characterize chloride binding isotherm at the arbitrary stage of hydration time and arbitrary location from the surface of concrete. Comparative study with experimental data of published literature is accomplished to validity this model.

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Study on Neutralization Progress Model of Concrete with Coating Finishing Materials in Outdoor Exposure Conditions Based on the Diffusion Reaction of Calcium Hydroxide

  • Park, Jae-Hong;Hasegawa, Takuya;Senbu, Osamu;Park, Dong-Cheon
    • International Journal of Concrete Structures and Materials
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    • v.6 no.3
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    • pp.155-163
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    • 2012
  • In order to predict the neutralization of concrete which is the reaction of carbonation dioxide from the outside and cement hydration product, such as calcium hydroxide and C-S-H, it was studied the numerical analysis method considering change of the pore structure and relative humidity during the neutralization reaction. Diffusion-reaction neutralization model was developed to predict the neutralization depth of concrete with coating finishing material. In order to build numerical analysis models considering outdoor environment and finishing materials, the adaption of proposed model was shown the results of existing outdoor exposure test results and accelerated carbonation test.

Modeling of the Setting Characteristics of Early-age Concrete (초기재령 콘크리트의 응결특성 모델링)

  • 조호진;송하원;변근주
    • Proceedings of the Korea Concrete Institute Conference
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    • 2002.10a
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    • pp.391-396
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    • 2002
  • The so called setting is defined as the onset of rigidity in fresh concrete. In the analysis of the early-age concrete behavior, we consider fresh concrete as a structural element immediately after mixing. But for the activation of real structural behavior of fresh concrete, it takes some time after the beginning of hydration reaction. So, the very early age deformations due to hydration heat and shrinkage which occur before the setting do not produce restraint stresses. In this paper, we propose a setting characteristic model based on the so called percolation theory. From the analysis using the model, the influence of curing temperature is investigated and analytical results are compared with experimental results. From the comparison, the validity of proposed model is verified. This model is also applied to evaluate stress development in a temperature-stress test machine (TSTM) specimen and then the effect of setting time on the stress development is discussed.

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A Study on the Hydration Reaction Model of Expansive Additive of Ettringite-Gypsum Type (에트링가이트-석탄 복합계 팽장재의 수화반응 모델에 관한 연구)

  • Park Sun Gyu;Takahumi Noguchi;Kim Moo-Han
    • Journal of the Korea Concrete Institute
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    • v.17 no.4 s.88
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    • pp.581-586
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    • 2005
  • High-performance concrete (HPC), which is particularly sensitive to self-desiccation, is required to be durable even in severe environmental conditions, i.e. costal area, cold district, etc. However, in recent years, some attention was particularly given to cracking sensitivity of high performance concrete at early age. It has been argued and demonstrated experimentally that such concrete undergoes autogenous shrinkage due to self-desiccation at early age under restrained condition, nd, as a result, internal tensile stress may develop, leading to micro cracking and macro cracking. This shrinkage-introduced crack produces a major serviceability problem for concrete structures. One possible method to reduce cracking due to autogenous shrinkage is the addition of expansive additive. Tests conducted by many researches have shown the beneficial effects of addition of expansive additive for reducing the risk of autogenous shrinkage-introduced cracking. However, the research on hydration model of expansion additive has been hardly researched up to now. This paper presents a study of the hydration model of Ettringite-Gypsum type expansive additive. As a result of comparing forecast values with experiment value, proposed model is shown to expressible of hydration of expansive additive.

Hydration and time-dependent rheology changes of cement paste containing ground fly ash

  • Chen, Wei;Huang, Hao
    • Computers and Concrete
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    • v.11 no.1
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    • pp.39-49
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    • 2013
  • The use of ground fly ash in concrete can increase the risk of slump loss due to the drastic surface change of the particles after the grinding treatment and the accelerated reaction compared to the untreated ash. This study is aimed at the early age hydration and time-dependent rheology changes of cement paste containing ground fly ash. An original fly ash is ground into different fineness and the hydration of cement paste containing the ground fly ash is monitored with the ultrasound propagation method. The zeta potentials of the solid particles are measured and the changes of rheological parameters of the cement pastes with time are analyzed with a rheometer. A particle packing model is used to probe packing of the solid particles. The results show that the early age hydration of the paste is strongly promoted by replacing Portland cement with fly ash up to 30 percent (by mass), causing increase of the yield stress of the paste. The viscosity of a paste containing ground fly ash is lower than that containing the untreated ash, which is explained by the denser packing of the solid particles.