• 제목/요약/키워드: Self-diffusion coefficient

검색결과 54건 처리시간 0.022초

Solvent Effect on Stress Relaxation of PET Filament Fibers and Self Diffusion of Crystallites

  • Nam Jeong Kim;Eung Ryul Kim;Sang Joon Hahn
    • Bulletin of the Korean Chemical Society
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    • 제12권5호
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    • pp.468-473
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    • 1991
  • Viscoelastic properties of PET filament fibers on stress relaxation were investigated in the solvents of $H_2$O, 0.05% NaOH and 50% DMF using an Instron (UTM4-100 Tensilon) with solvent chamber. The theoretical stress relaxation equation derived by applying the Ree-Eyring's hyperbolic sine law to dashpot of three element non-Newtonian model was applied to the experimental stress relaxation curves, and the model parameters $G_1,G_2$, ${\alpha}$ and ${\beta}$ were obtained. By analyzing temperature dependency of the relaxation time, the values of activation entropy, activation enthalpy and activation free energy for flow in PET filament fiber were evaluated, the activation free energy being about 25.7 kcal/mol. The self diffusion coefficient and hole distance were obtained from parameters ${\alpha}$, ${\beta}$ and crystallite size in order to study the self diffusion and the orientation of crystallites in amorphous region and the effect of solvent.

기체확산 실험을 활용한 자기치유 콘크리트의 성능평가 방법 (Performance Evaluation Method of Self-Healing Concrete Using Gas Diffusion Experiment)

  • 이도근;신경준
    • 한국건설순환자원학회논문집
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    • 제8권1호
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    • pp.143-151
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    • 2020
  • 최근 자기치유 콘크리트의 연구가 활발히 진행되고 있으며, 구조물의 유지관리에 활용하기 위한 다양한 방법이 시도되고 있다. 하지만 자기치유 콘크리트의 기술적인 발전과는 달리, 성능을 평가하기 위한 방법은 불충분한 실정이다. 비록 표면관찰과 투수실험을 통해서 균열의 치유를 관찰하는 방법이 널리 실행되고 있지만, 현미경 관찰을 통한 표면관찰 방법은 국부적인 지점의 관찰은 전체적인 성능을 평가하기에는 불충분할 수 있으며, 투수실험의 경우에는 물질용출 및 점성으로 인한 손실을 고려해야 한다. 상기의 두 실험방법의 단점을 보완한 기체확산실험이 개발되었지만, 실제 치유가 발생한 시편을 대상으로의 검증은 이루어지지 않았다. 따라서 본 연구에서는 치유가 발생한 모르타르 시편에 대해 기체확산실험을 진행하였고, 기체확산실험에 의한 자기치유 평가의 적정성을 검증하였다.

A reaction-diffusion modeling of carbonation process in self-compacting concrete

  • Fu, Chuanqing;Ye, Hailong;Jin, Xianyu;Jin, Nanguo;Gong, Lingli
    • Computers and Concrete
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    • 제15권5호
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    • pp.847-864
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    • 2015
  • In this paper, a reaction-diffusion model of carbonation process in self-compacting concrete (SCC) was realized with a consideration of multi-field couplings. Various effects from environmental conditions, e.g. ambient temperature, relative humidity, carbonation reaction, were incorporated into a numerical simulation proposed by ANSYS. In addition, the carbonation process of SCC was experimentally investigated and compared with a conventionally vibrated concrete (CVC). It is found that SCC has a higher carbonation resistance than CVC with a comparable compressive strength. The numerical solution analysis agrees well with the test results, indicating that the proposed model is appropriate to calculate and predict the carbonation process in SCC. The parameters sensitivity analysis also shows that the carbon dioxide diffusion coefficient and moisture field are essentially crucial to the carbonation process in SCC.

Pulsed (Field) Gradient Spin Echo (PGSE) NMR에 의한 ADS/OTAC 혼합 수용액에서의 콜로이드 회합체의 자가 확산 계수 (Self-Diffusion Coefficients of Colloidal Association Structures in ADS/OTAC Mixed Aqueous Solutions by Pulsed (Field) Gradient Spin Echo-NMR)

  • 김홍운;임경희;김은희;정재준
    • 한국응용과학기술학회지
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    • 제19권4호
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    • pp.339-348
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    • 2002
  • Self-diffusion coefficients of colloidal ass9Ciation structures in the aqueous solutions of anionic ammonium dodecyl sulfate (ADS) and cationic octadecyltrimethylammonium chloride (OTAC) surfactants were measured by pulsed-gradient spin echo NMR. The results were interpreted on the basis of the ADS/OTAC/water phase diagram. Crossing the phase boundaries, significant changes in self diffusion coefficients were observed and well correlated to the phase diagram. For the micelles their apparent radii were obtained from Stokes-Einstein equation. Their values were 15 for the ADS micelles and 54 ${{\AA}}$ for the OTAC micelles, respectively. For vesicles which were formed spontaneously at different relative amounts of the surfactants and total surfactant concentrations, the radius was measured as 50 to 200 nm. This result is in fair agreement with those by TEM and light scattering.

Temperature Dependent Self-Diffusion Coefficients of Valinomycin and the Potassium-Valinomycin Complex

  • Kim, Su-Deuk;Lee, Yun-Jung;Joo, Hyun-Hye;Ahn, Sang-Doo
    • 한국자기공명학회논문지
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    • 제12권1호
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    • pp.51-59
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    • 2008
  • Convection effect in liquids has been one of the main targets to be overcome in pulsed-field-gradient NMR measurements of self-diffusion coefficients since the temperature gradient along the sample tube generated by the heating and/or cooling process causes the effect, resulting in additional diffusion. It is known that the capillary is the most appropriate tube type for diffusion experiments at variable temperatures since the narrower tube suppresses convection effectively. For evaluating the properties of hydrogen bonding, diffusion coefficients of the $K^+$-complexed and free valinomycin in a micro tube have been determined at various temperatures. From the analysis of the obtained diffusion coefficient values, we could conclude that the intramolecular hydrogen bonding in both of the $K^+$ complexed and free valinomycin in a non-polar solvent is preserved over the observed temperature range, and the temperature dependence of hydrogen bonding is more pronounced in free valinomycin. It is also thought that there is no big change in the radius of the $K^+$-complexed as temperature is varied, and the ratio of overall radius, $r_{complex}/r_{free}$ is slightly decreased as temperature rises.

Oleic acid의 여러 물리화학적 성질에 미치는 Cholesterol계 유도체의 영향 (Influence of Cholesterol Derivatives on the Several Physicochemical Properties of Oleic acid)

  • 안범수
    • 한국응용과학기술학회지
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    • 제36권3호
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    • pp.813-820
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    • 2019
  • Oleic acid의 분자분절 운동에 대한 cholesterol 유도체들의 영향을 보다 잘 이해하기 위해 소량의 첨가물들이 포함된 oleic acid 시료에 대해 밀도, 점성도, IR, $^1H$ NMR, self-diffusion coefficient를 측정하였다. 이 측정을 통하여 cholesterol, cholestanol, cholestane, cholesteryl oleate, benzene, ethanol 등의 첨가물이 포함된 oleic acid 시료에 이들의 효과가 어떻게 나타나는지 알 수 있었다. OH기와 하나의 이중결합을 갖고 있는 cholesterol은 oleic acid의 점성도는 크게 증가시켰으나, 자체 확산계수, 분자내 운동은 감소시켰다. 다른 첨가물들을 시험한 결과 OH기의 유무, 이중결합의 정도에 따라 영향이 변화하였다. 벤젠과 에탄올의 경우 점성도는 감소하였으나 자체 확산계수와 분자내 운동은 증가하는 현상를 보여주었다. 이들 실험을 바탕으로 oleic acid는 에탄올 뿐 아니라 cholesterol과도 착물을 형성하고 또 착물이 이뤄지는 메카니즘에 대해서도 이해할 수 있었다. 이들 착물 형성과 oleic acid 이합체로 이루어진 집합체의 성질 조사를 바탕으로 oleic acid의 분자분절 운동에 대한 cholesterol의 영향을 알 수 있었다.

Diffusion Behavior of n-Alkanes by Molecular Dynamics Simulations

  • Goo, Geun-Hoi;Sung, Gi-Hong;Lee, Song-Hi;Chang, Tai-Hyun
    • Bulletin of the Korean Chemical Society
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    • 제23권11호
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    • pp.1595-1603
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    • 2002
  • In this paper we have presented the results of diffusion behavior of model systems for eight liquid n-alkanes ($C_{12}$-$C_{44}$) in a canonical (NVT) ensemble at several temperatures using molecular dynamics simulations. For these n-alkanes of small chain length n, the chains are clearly <$R_{ee}^2$>/6<$R_g^2$>>1 and non-Gaussian. This result implies that the liquid n-alkanes over the whole temperatures considered are far away from the Rouse regime, though the ratio becomes close to the unity as n increases. Calculated self-diffusion constants $D_{self}$ are comparable with experimental results and the Arrhenius plot of self-diffusion constants versus inverse temperature shows a different temperature dependence of diffusion on the chain length. The global rotational motion of n-alkanes is examined by characterizing the orientation relaxation of the end-to-end vector and it is found that the ratio ${\tau}1/{\tau}2$ is less than 3, the value expected for a isotropically diffusive rotational process. The friction constants ${\xi}$of the whole molecules of n-alkanes are calculated directly from the force auto-correlation (FAC) functions and compared with the monomeric friction constants ${\xi}_D$ extracted from $D_{self}$. Both the friction constants give a correct qualitative trends: decrease with increasing temperature and increase with increasing chain length. The friction constant calculated from the FAC's decreases very slowly with increasing temperature, while the monomeric friction constant varies rapidly with temperature. By considering the orientation relaxation of local vectors and diffusion of each site, it is found that rotational and translational diffusions of the ends are faster than those of the center.

계면활성제 수용액에서 미셀형성(제3보) -비이온성과 이온성계면활성제의 혼합 미셀에 있어 자기확산 및 프로톤 이완- (Micelle Formation of Surfactant Solution(3) -Self-Diffusion and 1H Relaxation for Mixed Micelle of Nonionic and Ionic Surfactants-)

  • 최성옥;곽광수;박흥조;남기대
    • 공업화학
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    • 제10권6호
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    • pp.876-880
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    • 1999
  • 이온성과 비이온성계면활성제의 혼합 미셀 용액의 자기확산계수는 NMR FT-PGSE법으로 측정하였다. 또한 프로톤 NMR 피크의 폭을 관찰하였다. 연구된 계는 $C_{12}EO_5/SDS/D_2O$, $C_{12}EO_5/DTAC/D_2O$$C_{12}EO_8/SDS/D_2O$의 혼합계이다. 모든 시료에서 솔벤트와 계면활성제의 몰비는 일정하고 계면활성제의 혼합비는 다양하게 실험을 하였다. $C_{12}EO_5$ 계에서 계면활성제의 자기확산계수는 이온성계면활성제의 혼합비가 약 25%일 때 최소치를 나타내었다. 비이온성계면활성제가 이온성계면활성제로 치환됨에 따라서 자기확산계수가 감소하는 것은 미셀간의 반발력이 증가하기 때문이다. 이온성계면활성제의 높은 분율에서 자기확산계수가 증가하는 것은 미셀의 크기가 감소하기 때문이다. $C_{12}EO_8$ 계에서 계면활성제의 혼합비의 효과는 분자의 기하학적 구조와 큰 관능기의 면적 때문에 거의 없다. 프로톤 NMR 피크와 자기확산계수는 상호 밀접한 관계를 나타내고 알킬 사슬의 메틸렌 시그날의 넓혀짐 현상은 자기확산계수가 작을 때 나타난다.

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Self-Diffusion of THO within Tactic Poly(2-hydroxyethyl methacrylate) Membranes

  • Kim, Hye-Kyeong;Jhon, Mu-Shik
    • Bulletin of the Korean Chemical Society
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    • 제4권3호
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    • pp.128-132
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    • 1983
  • The self-diffusion experiment of water was performed across two series of tactic poly(2-hydroxyethyl methacrylate), P(HEMA) membranes prepared by crosslinking with various amount of hexamethylene diisocyanate (HMDIC). The tagging material was tritium hydroxide (THO) and the efflux of THO was counted on a Liquid Scintillation Counter. The transport data of THO show that the permeability decreases as the amount of HMDIC increased from 2.5 to 10 mole % and the self-diffusions coefficient shows a parallel trend with it. The diffusivity data was discussed in terms of the change of water structural orderliness within membranes. Using the relation between viscosities and diffusivities derived from Eyring's absolute rate theory, the corresponding viscosities of water within two series of tactic P(HEMA) membranes were obtained. From this, it is seen that the viscosity of water within tactic P(HEMA) membranes may have the same values with those of supercooling water whose temperature ranges from -28 to -$36^{\circ}C.$.

방산분야 공인시험기관의 수요확산 예측 및 정책 방향 연구 (A Study on Forecasting the Diffusion of Certified Testing Service Institutions and Direction of Policy Making in Defense Industry)

  • 이용학;조현기;김우제;강초롱
    • 산업공학
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    • 제25권2호
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    • pp.255-263
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    • 2012
  • In order to ensure the reliability and specialty of weapon system test results, a policy of extending certified testing service institutions has been driven by applying accreditation system of the ones in defense industry. Bass and Logistic models are used to apply the policy effectively and forecast the diffusion pattern of certified testing service institutions. The parameters for diffusion forecast are estimated using the diffusion pattern of certified testing service institutions in non-defense industry, and these are applied to forecast the diffusion of certified ones in defense industry. Coefficients of innovation and imitation of Bass model are analyzed to derive the factors influencing the early adoption and diffusion patterns. The more increasing the coefficients, the earlier adoption occurred. Diffusion pattern due to coefficient of imitation, internal factor, has larger effect on sensitivity of diffusion pattern. This means that the self recognition of necessity is more effectively worked than the policy or regulations driven by government.