• Title/Summary/Keyword: Self-diffusion coefficient

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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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    • v.12 no.5
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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.

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

  • Lee, Do-Keun;Shin, Kyung-Joon
    • Journal of the Korean Recycled Construction Resources Institute
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    • v.8 no.1
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    • pp.143-151
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    • 2020
  • Recently, research on self-healing concrete has been actively conducted, and various methods have been attempted for use in the maintenance of structures. However, contrary to the technical development of self-healing concrete, the method for evaluating the performance is insufficient. Although surface observation and permeability experiments are widely used to observe the healing of cracks, microscopic observation of surface may be insufficient to assess the overall performance. Also, permeation experiments should consider the losses caused by the dissolution of self-healed product and viscosity of water. Although a gas diffusion experiment have been proposed to overcome the shortcomings of these two test methods, verification has not been made on specimens with actual healing. Therefore, in this study, gas diffusion experiments were performed on the mortar specimens that had healed, and the adequacy of self-healing evaluation by the gas diffusion experiment was verified.

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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    • v.15 no.5
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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.

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

  • Kim, Hong-Un;Lim, Kyung-Hee;Kim, Eun-Hee;Cheong, Chae-Joon
    • Journal of the Korean Applied Science and Technology
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    • v.19 no.4
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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
    • Journal of the Korean Magnetic Resonance Society
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    • v.12 no.1
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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.

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

  • Ahn, Beom-Shu
    • Journal of the Korean Applied Science and Technology
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    • v.36 no.3
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    • pp.813-820
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    • 2019
  • The influence of cholesterol on the physicochemical properties of the oleic acid was clarified through the measurements of density, viscosity, IR, $^1H$ NMR, self-diffusion coefficient for the oleic acid samples containing a small amount of additives such as cholesterol, cholestanol, cholestane, cholesteryl oleate, benzene, and ethanol. Cholesterol, possessing one OH group and one double bond in its molecular structure, largely increased the viscosity and reduced the self-diffusion coefficient and the intramolecular movement of oleic acid. Oleic acid forms a complex with cholesterol as well as with ethanol. On the basis of these complex formations and the existence of the clusters composed of oleic acid dimers, it was known the role and the fundamental mechanism of cholesterol to the intermolercular and intramolecular movements of oleic acid in the liquid state.

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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    • v.23 no.11
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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.

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

  • Choi, Seung-Ok;Kwack, Kwang-Soo;Park, Heung-Jo;Nam, Ki-Dae
    • Applied Chemistry for Engineering
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    • v.10 no.6
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    • pp.876-880
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    • 1999
  • The surfactant self-diffusion coefficients of mixed micellar solutions of ionic and nonionic surfactants have been measured by the NMR pulsed field gradient spin echo(FT-PGSE) method. In addition, the line widths of $^1H$ NMR signal have been monitored. The system investgated are $C_{12}EO_5/SDS/D_2O$, $C_{12}EO_5/DTAC/D_2O$, and $C_{12}EO_8/SDS/D_2O$. In the sample series, the molar ratios of $D_2O$ to surfactant(ionic+nonionic) were kept constant while the surfactant mixing ratio was varied. For the $C_{12}EO_5$ system, the surfactant self-diffusion coefficient indicates minimum when the surfactant mixing ratio is about 20% ionic surfactant. The observed decrease in self-diffusion coefficients as nonionic surfactant was replaced by ionic surfactant is interpreted to mainly be due to an increased micelle-micelle repulsion. The increase in self-diffusion coefficients occurring at higher fraction of ionic surfactant is shown to be due to a decrease in micelle size. For the $C_{12}EO_8$ system, the effect of the surfactant mixing ratio is much weaker which can be understood by considering the molecular geometry and large headgroup area. The proton NMR line widths correlate well with the self-diffusion coefficients and broadening of the alkyl chain methylene signals is found when the self-diffusion coefficients is low.

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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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    • v.4 no.3
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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 -$36^{\circ}C.$.

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

  • Lee, Yong-Hak;Cho, Hyun-Ki;Kim, Woo-Je;Kang, Cho-Rong
    • IE interfaces
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    • v.25 no.2
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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.