• 제목/요약/키워드: Hydration water

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Dynamics of a Globular Protein and Its Hydration Water Studied by Neutron Scattering and MD Simulations

  • Kim, Chan-Soo;Chu, Xiang-Qiang;Lagi, Marco;Chen, Sow-Hsin;Lee, Kwang-Ryeol
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2011년도 제40회 동계학술대회 초록집
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    • pp.21-21
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    • 2011
  • A series of Quasi-Elastic Neutron Scattering (QENS) experiments helps us to understand the single-particle (hydrogen atom) dynamics of a globular protein and its hydration water and strong coupling between them. We also performed Molecular Dynamics (MD) simulations on a realistic model of the hydrated hen-egg Lysozyme powder having two proteins in the periodic box. We found the existence of a Fragile-to-Strong dynamic Crossover (FSC) phenomenon in hydration water around a protein occurring at TL=$225{\pm}5K$ by analyzing Intermediate Scattering Function (ISF). On lowering of the temperature toward FSC, the structure of hydration water makes a transition from predominantly the High Density Liquid (HDL) form, a more fluid state, to predominantly the Low Density Liquid (LDL) form, a less fluid state, derived from the existence of a liquid?liquid critical point at an elevated pressure. We showed experimentally and confirmed theoretically that this sudden switch in the mobility of the hydration water around a protein triggers the dynamic transition (so-called glass transition) of the protein, at a temperature TD=220 K. Mean Square Displacement (MSD) is the important factor to show that the FSC is the key to the strong coupling between a protein and its hydration water by suggesting TL${\fallingdotseq}$TD. MD simulations with TIP4P force field for water were performed to understand hydration level dependency of the FSC temperature. We added water molecules to increase hydration level of the protein hydration water, from 0.30, 0.45, 0.60 and 1.00 (1.00 is the bulk water). These confirm the existence of the FSC and the hydration level dependence of the FSC temperature: FSC temperature is decreased upon increasing hydration level. We compared the hydration water around Lysozyme, B-DNA and RNA. Similarity among those suggests that the FSC and this coupling be universal for globular proteins, biopolymers.

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

  • 오병환;차수원;신경준;하재담;김기수
    • 한국콘크리트학회:학술대회논문집
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    • 한국콘크리트학회 1998년도 가을 학술발표대회 논문집(III)
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    • pp.883-887
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    • 1998
  • Hydration is the main reason for the growth of the material properties. A exact parameter to control the chemical and physical process is not the time, but the degree of hydration. Therefore, it is reasonable that development all material properties 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 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 latter 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.

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Model for simulating the effects of particle size distribution on the hydration process of cement

  • Chen, Changjiu;An, Xuehui
    • Computers and Concrete
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    • 제9권3호
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    • pp.179-193
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    • 2012
  • The hydration of cement contributes to the performance characteristics of concrete, such as strength and durability. In order to improve the utilization efficiency of cement and its early properties, the particle size distribution (PSD) of cement varies considerably, and the effects of the particle size distribution of cement on the hydration process should be considered. In order to evaluate effects of PSD separately, experiments testing the isothermal heat generated during the hydration of cements with different particle size distributions but the same chemical composition have been carried out. The measurable hydration depth for cement hydration was proposed and deduced based on the experimental results, and a PSD hydration model was developed in this paper for simulating the effects of particle size distribution on the hydration process of cement. First, a reference hydration rate was derived from the isothermal heat generated by the hydration of ordinary Portland cement. Then, the model was extended to take into account the effect of water-to-cement ratio, hereinafter which was referred to as PSD hydration model. Finally, the PSD hydration model was applied to simulate experiments measuring the isothermal heat generated by the hydration of cement with different particle size distributions at different water-to-cement ratios. This showed that the PSD hydration model had simulated the effects of particle size distribution and water-to-cement ratio on the hydration process of cement with satisfactory accuracy.

대학생의 수분섭취, 피부 수분보유도 및 피부 pH와의 관계 (The Correlation Analysis of Fluid Intake, Skin Hydration and Skin pH of College Students)

  • 김남조;홍해숙
    • Journal of Korean Biological Nursing Science
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    • 제17권2호
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    • pp.132-139
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    • 2015
  • Purpose: The purpose of this study was to verify the correlation analysis between fluid intake on skin hydration and pH of college students. Methods: The subjects were 129 female nursing students in D city. Data were collected by a self-administered questionnaire, using a skin moisture checker and skin pH meter on faces, hands, and feet. The collected data were analyzed by descriptive statistics, t-test, ANOVA, and Pearson correlation analysis, using SPSS WIN, 20. Results: The daily fluid intake was composed of 57% pure water, 21% caffeinated beverages, 22% non-caffeinated beverages. There were significant differences in average skin hydration on the three body parts according to pure water, caffeinated beverages, and non-caffeinated beverages; however, there was no significant difference measured by fluid intake. There was a significant positive correlation between fluid intake and skin hydration: between pure water and skin hydration. There was significant negative correlation between caffeinated beverages and skin hydration: between non-caffeinated beverages and skin hydration. Conclusion: The results suggest that fluid intake, pure water, caffeinated beverages, and non-caffeinated beverages have an effect on skin hydration and pH. Therefore, it is good to increase the amount of fluid intake but, it is recommended to increase the amount of intake of pure water rather than beverages to improve skin status.

초고성능 콘크리트의 수화모델에 대한 연구 (Analysis of hydration of ultra high performance concrete)

  • 왕하이롱;왕소용
    • 한국건축시공학회:학술대회논문집
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    • 한국건축시공학회 2014년도 추계 학술논문 발표대회
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    • pp.13-14
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    • 2014
  • Ultra high performance concrete (UHPC) consists of cement, silica fume (SF), sand, fibers, water and superplasticizer. Typical water/binder-ratios are 0.15-0.20 with 20-30% of silica fume. The development off properties of hardening UHPC relates with both hydration of cement and pozzolanic reaction of silicafume. In this paper, by considering the production of calcium hydroxide in cement hydration and its consumption in the pozzolanic reaction, a numerical model is proposed to simulate the hydration of UHPC. The degree of hydration of cement and degree of reaction of silica fume are obtained as accompanied results from the proposed hydration model. The properties of hardening UHPC, such as degree of hydration of cement, calcium hydroxide contents, and compressive strength, are predicted from the contribution of cement hydration and pozzolanic reaction. The proposed model is verified through experimental data on concrete with different water-to-binder ratios and silica fume substitution ratios.

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$\alpha$형 반수석고의 수화에 미치는 염류의 영향 (Effects of Salts on the Hydration of $\alpha$-Calcium Sulfate Hemihydrate)

  • 최상흘;이구종;홍성윤;이석곤
    • 한국세라믹학회지
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    • 제25권5호
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    • pp.449-454
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    • 1988
  • The effects of salts which was used as a catalysis in formation of $\alpha$-calciumusulfate hemihydrate from dicalcium sulfate hydrate were investigated on the hydration of $\alpha$-calciumsulfate hemihydrate. The hydration of $\alpha$-calciumsulfate hemihydrate was studied by the measurements of crystalline water, heat evolution. Also the hydrates were analyzed by XRD, DSC and SEM. The promotive effect each salts on the hydration was as follows: NaCl>NH4Cl>NaNO3>NH4NO3, and the hydration rate was accelerated with concentration of salts. The effect of Al2(SO4)3 and potassium sodium tartrate on the hydration was slmilar to water, whereas sodium succinate and gelatin retarded the hydration in comparision with water. These salts affected the hydration time but total heat evoution was similar.

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

  • 차수원
    • 콘크리트학회논문집
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    • 제14권1호
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    • pp.118-125
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    • 2002
  • 콘크리트는 수화과정을 통하여 재료가 성숙되고, 경화된다. 수화의 진행은 엄밀한 의미에서 재령에 의하지 않고 수화도에 의해 제어되므로, 경화가 진행되는 콘크리트의 모든 재료특성과 미세구조 형성과정은 수화도에 의해 정식화되는 것이 바람직하다. 기존 연구는 주로 양생온도가 수화발열속도에 미치는 영향을 고려한 반응함수 개념을 주로 사용하였고, 또한 내부 수분상태의 영향을 습도함수의 형태로 고려한 연구결과는 실제 수화기구를 반영하지 못하고 단지 각 연구자의 실험조건과 배합조건에만 부합하는 결과를 보인다. 따라서 본 연구는 기존 제안식의 단점을 보완하기 위하여 수화기구와 미세구조 형성 과정에 기초하여 반응속도함수를 모델링하였다. 수화반응속도는 온도 및 수분상태에 따라 변화하므로, 본 연구에서는 수화발열 속도에 영향을 미치는 인자로, 시멘트 종류, 물-시멘트비 등의 배합특성과 양생온도 빛 세공조직의 내부수분상태를 고려하였다. 똔 연구에서 제시한 콘크리트의 수화도 예측모델은 기존의 온도영향만을 주로 고려하는 반응속도함수를 콘크리트내부의 수분분포 상태를 고려하여 모델을 개선하였으며, 이는 실제 측정한 수화도에 매우 근접하여 그 유용성을 검증하였다. 또한 수화도의 정의와 제시한 모델을 이용하여 콘크리트 요소내의 온도, 습도 덴 수화도를 수치적으로 결정하여 단열온도상승곡선을 정확히 모사 할 수 있었다. 제안된 모델은 수화가 진행되는 콘크리트의 여러 역학적 특성 및 미세구조 형성과정을 적절히 표현하고, 수화과정이 온도 및 습도상태를 결정하는 초기재령 콘크리트의 단면 내 온 습도상태를 추정하여 궁극적으로 초기재령 콘크리트의 균열 위험성을 평가하는데 유용하게 이용될 수 있을 것으로 사료된다.

An improvement on the concrete exothermic models considering self-temperature duration

  • Zhu, Zhenyang;Chen, Weimin;Qiang, Sheng;Zhang, Guoxin;Liu, Youzhi
    • Computers and Concrete
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    • 제19권6호
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    • pp.659-666
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    • 2017
  • Based on the Arrhenius equations, several hydration exothermic models that precisely calculate the influence of concrete's self-temperature duration on its hydration exothermic rate have been presented. However, the models' convergence is difficult to achieve when applied to engineering projects, especially when the activation energy of the Arrhenius equation is precisely considered. Thus, the models' convergence performance should be improved. To solve this problem and apply the model to engineering projects, the relationship between fast iteration and proper expression forms of the adiabatic temperature rise, the coupling relationship between the pipe-cooling and hydration exothermic models, and the influence of concrete's self-temperature duration on its mechanical properties were studied. Based on these results, the rapid convergence of the hydration exothermic model and its coupling with pipe-cooling models were achieved. The calculation results for a particular engineering project show that the improved concrete hydration exothermic model and the corresponding mechanical model can be suitably applied to engineering projects.

시멘트 페이스트의 수화수량 정량화에 관한 기초적 연구(구조 및 재료 \circled2) (The Fundamental Study on the decision of the weight of water required to cement hydration)

  • 이준구;박광수;김석열;장문기;김한중
    • 한국농공학회:학술대회논문집
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    • 한국농공학회 2000년도 학술발표회 발표논문집
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    • pp.266-271
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    • 2000
  • This study was performed to find out how much water the cement hydration reaction need. It is real situation that it is difficult to find out the amount of chemical combined water with stoichiometric chemical reaction form. Because several variation occurred during hydration reaction it's not easy to divide water which used at cement paste mixture. In this study high temperature(105$^{\circ}C$) dry method was used to divide evaporable water and non-evaporable water. The last is combined water chemically and some free water absorbed to products of hydration physically. The test was processed with variation of water cement ratio from 10% to 45% with 5% intervals. The weight of cement paste specimens were measured after dry for 72hours at each checking time(0.5, 1, 3, 5, 10, 24, 48, 72, 168hour). In this study some conclusions such as follows were derived. Firstly, Pure combined water contents required at cement hydration result in 23.3percent of the weight of cement. Secondly, The sufficient mixing water needed to fully hydrated cement result in about 40∼45percent of weight of cement. That is, gel pores water could be about 16.7∼21.7percent of weight of cement.

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순환골재 용출수를 활용한 고로슬래그 미분말 혼입 모르터의 강도특성 (A Study on the Hydration Property of Mortar with Balst Furnace Slag using Water Eluted from Recycled Coarse Aggregates)

  • 신상엽;정의창;김영수
    • 한국건축시공학회:학술대회논문집
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    • 한국건축시공학회 2012년도 추계 학술논문 발표대회
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    • pp.81-82
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    • 2012
  • The purpose of this study is the hydration properties of motar using Blast-Furnace Slag(BFS) with water elured from recycled coarse aggregate. The results of the experiment show that the water eluted from recycled coarse aggregate mixed with blast furnace slag has comparatively higher hydration activity than the mortar not mixed with one in early-age mortar causing the calcium hydroxide in the recycled coarse aggregate to work on as a stimulus to the hydration of ground granulated blast furnace slag. BFS mixed with the eluting water the hydration reaction was a promotion.

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