• 한국자기공명학회논문지
• /
• 제16권2호
• /
• pp.122-132
• /
• 2012

The effects of the sample viscosity and volume on the convective flows induced by temperature gradient in PGSE-NMR self-diffusion measurements at high temperature have been investigated. The experimental results showed that the viscosity of the liquid sample strongly affects the magnitude of the convective flows as well as the diffusion coefficient itself. It was also found that the convective flows increase as the sample volume increase.

• 한국건설순환자원학회논문집
• /
• 제8권1호
• /
• pp.143-151
• /
• 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.

• 공업화학
• /
• 제10권6호
• /
• pp.876-880
• /
• 1999

이온성과 비이온성계면활성제의 혼합 미셀 용액의 자기확산계수는 NMR FT-PGSE법으로 측정하였다. 또한 프로톤 NMR 피크의 폭을 관찰하였다. 연구된 계는 $C_{12}EO_5/SDS/D_2O$, $C_{12}EO_5/DTAC/D_2O$ 및 $C_{12}EO_8/SDS/D_2O$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.

• 에너지공학
• /
• 제17권4호
• /
• pp.233-240
• /
• 2008

최근 새로운 2계 자기 수반형(self-adjoint) 중성자 수송 방정식으로 기존의 우성 및 기성 수송 방정식 외에 SAAF(Self-Adjoint Angular Flux) 수송 방정식이 소개되어, 이에 대한 적절한 경계조건, 수치해법, 정확도 등에 관한 논의가 활발히 진행되고 있다. 본 연구에서는 SAAF 수송 방정식의 수학적, 물리적 의미를 고찰하고 기존의 우성 및 기성 수송 방정식과의 연관성을 명확히 하였으며, Boltzmann 수송 방정식의 1계 차분식에서 2계의 SAAF 수송 방정식의 차분식을 유도하는 방법을 확산 가속법(diffusion synthetic acceleration method)과 함께 소개하였다. 유도된 SAAF 차분법이 계산 효율성과 수송해의 정확도를 증가시킴을 수치결과로 확인하였다.

• Bulletin of the Korean Chemical Society
• /
• 제34권12호
• /
• pp.3800-3804
• /
• 2013

In this study, molecular dynamics simulations of SPC/E (extended simple point charge) model have been carried out in the canonical NVT ensemble over the range of temperatures 300 to 550 K with and without Ewald summation. The quaternion method was used for the rotational motion of the rigid water molecule. Radial distribution functions $g_{OO}(r)$, $g_{OH}(r)$, and $g_{HH}(r)$ and self-diffusion coefficients D for SPC/E water were determined at 300-550 K and compared to experimental data. The temperature dependence on the structural and diffusion properties of SPC/E water was discussed.

• 전기화학회지
• /
• 제8권1호
• /
• pp.47-54
• /
• 2005

This article covers the fundamentals of stress-induced diffusion, focusing on the theoretical model for hydrogen transport through self-stressed electrode. First, the relationship between hydrogen diffusion and macroscopic deformation of the electrode specimen was briefly introduced, and then it was classified into the diffusion-elastic and elasto-diffusive phenomena. Next, the transport equation for the flux of hydrogen caused simultaneously by both the concentration gradient and the stress gradient was theoretically derived. Finally, stress-induced diffusion was discussed on the basis of the numerical solutions to the derived transport equation under the permeable and impermeable boundary conditions.

• 대한수학회논문집
• /
• 제21권2호
• /
• pp.293-320
• /
• 2006

Using calculus inequalities and embedding theorems in $R^1$, we establish $W^1_2$-estimates for the solutions of prey-predator population model with cross-diffusion and self-diffusion terms. Two cases are considered; (i) $d_1\;=\;d_2,\;{\alpha}_{12}\;=\;{\alpha}_{21}\;=\;0$, and (ii) $0\;<\;{\alpha}_{21}\;<\;8_{\alpha}_{11},\;0\;<\;{\alpha}_{12}\;<\;8_{\alpha}_{22}$. It is proved that solutions are bounded uniformly pointwise, and that the uniform bounds remain independent of the growth of the diffusion coefficient in the system. Also, convergence results are obtained when $t\;{\to}\;{\infty}$ via suitable Liapunov functionals.

• Bulletin of the Korean Chemical Society
• /
• 제23권11호
• /
• pp.1595-1603
• /
• 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.

• 한국응용과학기술학회지
• /
• 제19권4호
• /
• pp.339-348
• /
• 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.

• Macromolecular Research
• /
• 제11권6호
• /
• pp.444-450
• /
• 2003

Hydrophobically End-capped polyethylene oxide Urethane Resin(HEUR)-associating polymers, HEUR 35(8), HEUR 35(12), and HEUR 35(18), comprise a polyethylene oxide (PEO) having a molecular weight of 35,000 that is end capped with two C$\_$8/H$\_$17/, C$\_$12/H$\_$25/, and C$\_$18/H$\_$37/ alkyl chains, respectively. These associating polymers were synthesized by condensation reactions with polyethylene oxides and alkyl isocyanates. The self-diffusion coefficients of HEUR-associating polymers were measured in aqueous solution by pulsed-gradient spin-echo (PGSE) nuclear magnetic resonance (NMR) spectroscopy. All polymers underwent a decrease in their mean diffusion coefficients as the concentration was increased. However, the dispersion of the diffusion coefficients, ${\beta}$, about the mean fluctuated with changes in concentration. The large dispersion at low concentrations of HEUR 35(8) and HEUR 35(12) is related to the interaction between hydrophobic end groups, and the large dispersion at high concentrations of HEUR 35(18) is correlated with transient network formation. These results are valuable for predicting the associating mechanism of the large aggregates before and after their critical micelle concentration.