• Bulletin of the Korean Chemical Society
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• v.23 no.3
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• pp.447-453
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• 2002

In this paper we have presented the results of thermodynamic, structural, and dynamic properties of model systems for liquid benzene, toluene and p-xylene in an isobaric-isothermal (NpT) ensemble at 283.15, 303.15, 323.15, and 343.15 K using molecular dynamics (MD) simulation. This work is initiated to compensate for our previous canonical (NVT) ensemble MD simulations [Bull. Kor. Chem. Soc. 2001, 23, 441] for the same systems in which the calculated pressures were too low. The calculated pressures in the NpT ensemble MD simulations are close to 1 atm and the volume of each system increases with increasing temperature. The first and second peaks in the center of mass g(r) diminish gradually and the minima increase as usual for the three liquids as the temperature increases. The three peaks of the site-site gC-C(r) at 283.15 K support the perpendicular structure of nearest neighbors in liquid benzene. Two self-diffusion coefficients of liquid benzene via the Einstein equation and via the Green-Kubo relation are in excellent agreement with the experimental measures. The self-diffusion coefficients of liquid toluene and p-xylene are in accord with the trend that the self-diffusion coefficient decreases with increasing number of methyl group. The friction constants calculated from the force auto-correlation (FAC) function with the assumption that the fast random force correlation ends at time which the FAC has the first negative value give a correct qualitative trends: decrease with increase of temperature and increase with the number of methyl group. The friction constants calculated from the FAC's are always less than those obtained from the friction-diffusion relation which reflects that the random FAC decays slower than the total FAC as described by Kubo [Rep. Prog. Phys. 1966, 29, 255].

• Journal of The Korean Association For Science Education
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• v.30 no.1
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• pp.80-93
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• 2010

The scope of this study is: (1) to review or summarize the theoretical explanations of diffusion; (2) to investigate the preservice teachers' understanding of diffusion utilizing the inquiry experiment of diffusion that was developed in this study. The data was collected through questionnaires given to 41 preservice teachers in 3 universities and interviews with 20 subjects from this population, who conducted the inquiry experiment. During the experiment, the data was collected from the students' reports and 3 small groups' audio/video recordings. To understand preservice teachers' conceptions, reports, audio/video recordings, questionnaires and interviews were analyzed and discussed with co-workers. The results follow: (1) The differences between effusion and diffusion as well as equal-pressure experiment and equal-flux one on diffusion were discussed; (2) Most preservice teachers understood effusion and diffusion connected to Graham's law of diffusion by rote and have misconceptions about the diffusion process; (3) They observed two kinds of diffusion experiments (equal-pressure and equal-flux) by inquiry experiment, but the majority of them failed to find conceptual differences between these experiments. After the inquiry experiment, about 40% of the samples modified their conceptions about diffusion.

• Proceedings of the Korean Radioactive Waste Society Conference
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• 2009.11a
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• pp.504-505
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• 2009

• Bulletin of the Korean Chemical Society
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• v.35 no.3
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• pp.701-702
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• 2014

• Proceedings of the Zoological Society Korea Conference
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• 1994.10a
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• pp.266.1-266
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• 1994

No Abstract, See Full Text

• Bulletin of the Korean Chemical Society
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• v.17 no.8
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• pp.700-706
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• 1996

We present the results of molecular dynamics simulations of monolayers of long-chain alkyl thiol [S(CH2)15CH3] molecules on an air-solid interface using the extended collapsed atom model for the chain-molecule and a gold surface for the solid surface. Several molecular dynamics simulations have been performed on monolayers with areas per molecule ranging from 18.30 to 32.10 Å2/molecule. It is found that there exist three possible transitions: a continuous transition characterized by a change in molecular configuration without change in lattice structure, a sudden transition characterized by the distinct lattice defects and perfect islands, and a third transition characterized by the appearance of a random, liquid-like state. The analysis of probability distributions of the segments shows that the structure of the chain-molecules at the air-solid interface is completely different from that at the air-water interface in the view of the degree of overlap of the probability distributions of the neighbor segments. The calculated diffusion coefficients of the chain-molecules on the monolayers seem to be not directly related to any one of the three transitions. However, the large diffusion of the molecules enhanced by the increment of the area per molecule may induce the second transition.

• Journal of Sensor Science and Technology
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• v.17 no.5
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• pp.329-337
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• 2008

Simple, small and portable oxygen sensors were fabricated by tape casting technique. Yttria stabilized zirconia containing cordierite ceramics (YSZC) were used as a porous diffused layer of oxygen in pumping cell. Yttria stabilized zirconia (YSZ) solid electrolyte, YSZC porous diffusion layer and heater-patterned ceramic sheets were prepared by co- firing method. Limit current characteristics and the linear relationship of current to oxygen concentration were observed. Viscosity variation of the slurries both YSZ and YSZC showed a similar behavior, but micro pores in the fired sheet were increased with increasing of the cordierite amount. Molecular diffusion was dominated due to the formation of large pores in porous diffusion layer. The plateau range of limit current in porous-type oxygen sensor was narrow than the one of aperture-type oxygen sensor. However limit current curve was appeared in porous-type oxygen sensor even at the lower applied voltage. The plateau range of limit-current was widen as increasing the thickness of porous diffusion layer of the YSZ containing cordierite. Measuring temperature of $600{\sim}650^{\circ}C$ was recommended for limit-current oxygen sensor. Porous diffusion layer-type oxygen sensor showed faster response than the aperture-type one and was stable up to 30 days running without any crack at interface between the layers.

• Journal of the Korean institute of surface engineering
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• v.49 no.1
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• pp.104-109
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• 2016

Graphite's thermal stability facilitates its widespread use as crucibles and molds in high temperatures processes. However, carbon atoms can be rather easily detached from pores and outer surfaces of the graphite due to the weak molecular force of the c axis of graphites. Detached carbon atoms are known to become a source of dust during fabrication processes, eventually lowering the effective yield of products. As an effort to reduce these problems of dust scattering, we have fabricated SiC composites by employing Si vapor infiltration method into the pores of graphites. In order to understand the diffusion process of the Si vapor infiltration, Si and C atomic percentages of fabricated SiC composites are carefully measured and the diffusion law is used to estimate the diffusion coefficient of Si vapor. A quadratic equation is obtained from the experimental results using the least square method. Diffusion coefficient of Si vapor is estimated using this quadratic equation. The result shows that the diffusion length obtained through the Si vapor infiltration method is about 10.7 times longer than that obtained using liquid Si and clearly demonstrates the usefulness of the present method.

• Korean Journal of Radiology
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• v.22 no.7
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• pp.1021-1033
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• 2021

Objective: To assess the expression of vascular normalization genes in different molecular subtypes of breast cancer and to determine whether molecular subtypes with a higher vascular normalization gene expression can be identified using dynamic contrast-enhanced (DCE) magnetic resonance imaging (MRI) and intravoxel incoherent motion (IVIM) diffusion-weighted imaging (DWI). Materials and Methods: This prospective study evaluated 306 female (mean age ± standard deviation, 50 ± 10 years), recruited between January 2014 and August 2017, who had de novo breast cancer larger than 1 cm in diameter (308 tumors). DCE MRI followed by IVIM DWI studies using 11 different b-values (0 to 1200 s/mm²) were performed on a 1.5T MRI system. The Tofts model and segmented biexponential IVIM analysis were used. For each tumor, the molecular subtype (according to six [I-VI] subtypes and PAM50 subtypes), expression profile of genes for vascular normalization, pericytes, and normal vascular signatures were determined using freshly frozen tissue. Statistical associations between imaging parameters and molecular subtypes were examined using logistic regression or linear regression with a significance level of p = 0.05. Results: Breast cancer subtypes III and VI and PAM50 subtypes luminal A and normal-like exhibited a higher expression of genes for vascular normalization, pericyte markers, and normal vessel function signature (p < 0.001 for all) compared to other subtypes. Subtypes III and VI and PAM50 subtypes luminal A and normal-like, versus the remaining subtypes, showed significant associations with K^trans, k_ep, v_p, and IAUGC_BN90 on DEC MRI, with relatively smaller values in the former. The subtype grouping was significantly associated with D, with relatively less restricted diffusion in subtypes III and VI and PAM50 subtypes luminal A and normal-like. Conclusion: DCE MRI and IVIM parameters may identify molecular subtypes of breast cancers with a different vascular normalization gene expression.

• Polymer(Korea)
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• v.34 no.5
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• pp.415-423
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• 2010

Poly(vinyl alcohol)(PVA) with high degree of hydrolysis of above 98% was dissolved in dimethyl sulfoxide(DMSO), and the shear viscosity was measured up to $C{\simeq}0.14\;g/mL$ in the semi-dilute solution regime. Next, as probe particle, polystyrene(PS) latex was introduced into this matrix system and its delayed diffusion due to polymer concentration was investigated by means of dynamic light scattering. When the solution viscosity of PVA/DMSO was plotted against the reduced concentration $C[{\eta}]$, which is scaled by the intrinsic viscosity, the molecular weight dependence was strongly appeared at C$[{\eta}]$ >2. Some heterogeneties in polymer solution were considered as its source. Contrary, the diffusion of probe particle in the matrix solution was observed as a single mode motion at whole concentration range but its ratio of its diffusion coefficient at solution to that at solvent, D/Do did not show any molecular weight dependence at all. However, the application limit of the stretched exponential function was disclosed at C$[{\eta}]$ >2.5.