• Bulletin of the Korean Chemical Society
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• v.12 no.5
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• pp.495-499
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• 1991

The changes in the free energy and hydration free energy of N-acetyl-N'-methylalaninamide in the unhydrated and hydrated states were calculated with ECEPP/2 and the hydration shell model. The configurational entropy change of each conformation in both states were computed by a harmonic method. To understand the hydration structure of each hydrated conformation, the hydration-shell coordination numbers of functional. groups of the molecule were estimated from water-accessible volumes, and the contributions of water-accessible volume and polarization of each group to the hydration free energy were analyzed. The results show a reasonable agreement with those of recent theoretical studies and experiments.

• 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.

• Proceedings of the Korean Vacuum Society Conference
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• 2011.02a
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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.

• Computers and Concrete
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• v.13 no.3
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• pp.361-375
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• 2014

The moisture transport in underground concrete was experimentally investigated and the nonlinear model of moisture transport considering the effects of water diffusion, hydration of cementicious materials and water permeability was proposed. The consumed moisture content by self-desiccation could be firstly calculated according to evolved hydration degree of cement and mineral admixtures. Furthermore, the finite differential method was adopted to solve the moisture transport model by linearizing the nonlinear moisture diffusion coefficient. The comparison between experimental and calculated results showed a good agreement, which indicated that the proposed moisture model could be used to predict moisture content evolution in underground concrete members with drying-wetting boundaries.

• Magazine of the Korea Concrete Institute
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• v.9 no.2
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• pp.121-132
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• 1997

The thermal behavior of' concrete can be ch;lracterized from a knowledge of concrete ternperatu1.e at early ages, environmental conditions, and cement hydration in the mixture. 'l'o account for thost. interactions, a computer model was developed for prwlicting the temperature pr.ol'ile in hnrdcning c o n c r c t ~ st.r~icture in terms of material and tmvironmcntal factors. The cerncnt hydration cha~.acteristics such as the activating energy, total heat 1ihei.atr.d. anti th\ulcorner degree of' hydration. can represent the internal heat gc,neration. In this study. th(> activating c1ncrgy and the tlcgree of' hydration curve were determined well fmm the rnortn~. compressive strength tests while total amount of heat liberated was determined by tht> isothermal calorimctcr method. The main purpose of' this study is to correlate measured tt>mperaturr distributions in a concrete st1,ucture during thc hardening process with the ~ c s u l t s computed f'ro~n theoretical considrl.ations. Using twodimensional heat transfer model, first. the importance of several parameters will be identified by a parametric analysis. Then, the tcmpcmture distribution of thc cylindrical concrete specimen in the laboratory was mensuwti and compared with that yielded by thc theoretical considel.ations.

• KSCE Journal of Civil and Environmental Engineering Research
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• v.26 no.5A
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• pp.909-915
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• 2006

To predict autogenous shrinkage of concrete, unsaturated pore compensation factor could be calculated by experiments of autogenous shrinkage of cement paste on the assumption that the differences between degree of hydration and strain rate of autogenous shrinkage are unsaturated pore formation rate. Applying unsaturated pore compensation factor on modified Pickket model considering contribution factor and non-contribution factor to autogenous shrinkage of concrete, experimental data and existing model were compared. From the results modified Pickket model was verified to present similar tendency between Tazawa model and experimental data, but CEB-FIP model might be corrected because this model uses ultimate autogenous shrinkage underestimated and the same autogenous time function of concrete material properties considering only compressive strength.

• Journal of Veterinary Clinics
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• v.27 no.2
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• pp.142-146
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• 2010

The purpose of this study is to establish experimental canine skin barrier disruption model in dog. The study was designed to investigate the predictive properties of acetone damage using as effect parameters transepidermal water loss (TEWL) and stratum corneum (SC) hydration. To compare the structures of SC intercellular lipids in normal and acetone damaged skin, TEM observations were performed. Six clinically normal, male Beagles without dermatological problems were chosen for this study. Acetone damage was performed at 48hrs after clipping. Efficacy measurements for TEWL and skin hydration were performed before ($t_1$) and after ($t_2$) damage in a temperature- and humidity-controlled room ($2{0\sim}22^{\circ}C$, 50-60%). TEWL and SC hydration values were decreased in the acetone damaged model compared with non damaged skin. In TEM observation of acetone damaged sample, the intercellular lipid lamellae exhibit abnormal and incomplete structure compared with those of normal skin. It seems that acetone damage would be one of canine skin epidermal barrier disruption model for the study of canine atopic dermatitis (AD) as well as dry skin in veterinary dermatology research.

• Proceedings of the Korea Concrete Institute Conference
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• 2001.05a
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• pp.397-402
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• 2001

Microstructural characteristics such as hydrates and porosity greatly influence the development of concrete strength. In this study, a strength estimation model for early-age concrete considerig, the microstructural characteristics was proposed, which considers the effects of both an increment of degree of hydration and capillary porosity on a strength increment. Hydration modeling and compressive strength test with curing temperature and curing ages were carried out. By comparing test results with estimated strength, it is found that the strength estimation model can estimate compressive strength of early-age concrete with curing ages and curing temperature within a margin of error.

• 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.

• Bulletin of the Korean Chemical Society
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• v.2 no.1
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• pp.24-28
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• 1981

Theoretical studies of the sodium cation binding and the isotope hydration effects on the static model compound B-DNA have been qualitatively elucidated by using empirical potential energy functions. In the first place, the sodium cations bound to phosphate anions and their hydration scheme have been optimized and have given a reasonable agreement with other theoretical results and experimental studies. In the second stage, the isotope effect on the hydration through the substitution of $D_2O\;for\;H_2O$ has been carried out by the same procedure. The stabilization of B-DNA has been explained and compared in terms of the sodium cation binding to phosphate anions and its hydration in both cases of $H_2O\;and\;D_2O$.