• Analytical Science and Technology
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• v.28 no.3
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• pp.187-195
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• 2015

The heat of sublimation (HOS) is an essential parameter used to resolve environmental problems in the transfer of organic contaminants to the atmosphere and to assess the risk of toxic chemicals. The experimental measurement of the heat of sublimation is time-consuming, expensive, and complicated. In this study, quantitative structural property relationships (QSPR) were used to develop a simple and predictive model for measuring the heat of sublimation of organic compounds. The population-based forward selection method was applied to select an informative subset of descriptors of learning algorithms, such as by using multiple linear regression (MLR) and the support vector machine (SVM) method. Each individual model and consensus model was evaluated by internal validation using the bootstrap method and y-randomization. The predictions of the performance of the external test set were improved by considering their applicability to the domain. Based on the results of the MLR model, we showed that the heat of sublimation was related to dispersion, H-bond, electrostatic forces, and the dipole-dipole interaction between inter-molecules.

• Journal of the Korean Society for Nondestructive Testing
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• v.24 no.3
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• pp.259-267
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• 2004

A finite element method is used to simulate interaction of laser-based ultrasounds with surface breaking tracks in elastic media. The laser line source focused on the surface of semi-infinite medium is modeled as a shear dipole in 2-D plane strain finite elements. The shear dipole-finite clement model is found to give correct directivity patterns for generated longitudinal and shear waves. The interaction of surface waves with surface breaking cracks (2-D machined slot) is considered in two ways. Both the source and receiver are fixed with respect to the cracks in the first case, while the source is moving in another case. It is shown that the crack depth tested in the range of 0.3-5.0mm $({\lambda}_R/d=0.21{\sim}3.45)$ can be measured using the corner reflected waves produced by the fixed laser source. The moving laser source is found to cause a large amplitude change of reflected waves near crack, and the crack whose depth is one order lower than the wavelength ran be detected from this change.

• Journal of the Korean Magnetics Society
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• v.26 no.6
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• pp.196-200
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• 2016

In this study the mechanisms of magnetization reversal and magnetic interaction effects on activation volumes for Sr-ferrite with different particle sizes are investigated. The activation volumes of C2 sample are larger than those of C3 sample in the range of low magnetic fields. But the fields above the coercivity of sample C2, the activation volumes of both samples are decreased linearly with increasing the applied magnetic field. These phenomena can be explained by the strengths of two critical fields representing the reverse domain nucleation field and the domain wall pinning field as well as the strength of dipolar interaction.

• Korean Journal of Optics and Photonics
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• v.1 no.2
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• pp.149-154
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• 1990

Energy transfer in $Tb^{3+}$-doped borosilicate glasses has been studied by the analysis of fluorescence intensities and lifetimes of $^5D_3$ and $^5D_4$ states as a function of Tb3+ concentration. It is shown that as the $Tb^{3+}$ concentration is increased the cross-relaxation produces high population of the $^5D_4$ state at the expense of $^5D_3$. It is also found that this interaction is predominantly dipole-dipole transition with critical distance of 13 A. The critical distance for energy transfer $^5D_4$$^5D_4$ which is responsible for the quenching of 5D4 emission at high concentratron of Tb3+ ions is 4.5 A.

• Journal of the Korean Chemical Society
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• v.40 no.3
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• pp.187-195
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• 1996

Ab initio SCF calculations have been carried out for the five conceivable trimers formed between one hydrogen cyanide and two hydrogen fluorides using a basis set of TZ＋P quality. Several ground state properties of these trimeric complexes have been evaluated, and compared with those of isolated monomers and appropriate dimers. Computed equilibrium geometries, stabilization energies, and dipole moments are given in order to suppliment the available experimental data. At this level of approximation, intramolecular bond distances are consistently shorter than experimental ones. However, intermolecular distances upon complex formation, and dipole moments are overestimated compared with experimental ones. HCN$(HF)_2$ trimer appears to be the most favourable among the five kinds of trimer complex, and also more stable than $(HCN)_2HF$. The typical features of the non-additivity of intermolecular interaction are relatively strong in the HCN$(HF)_2$ trimer.

• Transactions of the Korean Society of Mechanical Engineers
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• v.18 no.3
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• pp.584-590
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• 1994

A theoretical model has been developed to analyze the jet-edge interaction and the sound radiation. The edge responding to the sinuous impinging jet is regarded as an array of dipoles and their strength is determined by the boundary condition on the edge surface. The surface pressure distribution and the edgeforce are estimated using these dipoles. Then the pressure amplitude and directivity of the sound field is obtained by summing the radiating sounds from the dipole sources. It is found that the effective source is located a little distance downstream from the edge tip. And the directivity of the sound radiation is cardioid pattern near the edge but dipole pattern far from the edge. The theoretical model is confirmed by comparing the theoretical prediction of the edgeforce and sound pressure level with available experimental data.

• Proceeding of EDISON Challenge
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• 2014.03a
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• pp.75-88
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• 2014

본 연구에서는 비선형 Poisson-Boltzmann 식의 해를 구할 수 있는 웹 기반 EPBS를 이용하여 이온채널의 전하 분포와 유전률이 이온채널의 이온선택성에 미치는 영향에 대해 알아본다. 모델로 사용한 이온채널은 이온채널과 유사한 구조를 갖는 합성 단백질인 고리형 펩타이드 나노튜브와 자연계에 존재하는 Gramicidin A 이다. 계산 결과로부터 용매인 물과 단백질의 유전율 차이에 의해 이온이 이온채널을 통과할 때 반응장이 생성되며, 이는 이온과 상호작용을 통해 이온 종류에 관계없이 이온 통과를 방해하는 에너지 장벽을 형성함을 알 수 있다. 한편, 두 이온채널 부분 전하, 특히 골격에 존재하는 카르보닐기의 쌍극자 모멘트에 의해 이온채널 내부에는 0 보다 작은 정전기 퍼텐셜이 형성된다. 이온채널 내부의 총 정전기 퍼텐셜은 이온채널의 부분 전하에 의한 정전기 퍼텐셜과 유전률 차이에 의한 반응장의 합으로 나타나며, 계산 결과 0 보다 작은 값을 갖는다. 이로부터 본 연구에서 사용된 두 종류의 이온채널이 양이온에 선택성이 있음을 알 수 있다.

• Journal of the Korean Chemical Society
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• v.41 no.9
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• pp.449-459
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• 1997

The bonded state polarizabilities of ions in the alkali halides are estimated by using the Seitz and Ruffa (SR) energy level analysis relation. The effective number of electrons $(N_{eff})$ in the Slater-Kirkwood formula are used for all members of an isoelectronic sequence. The effective dispersion coefficients $(C_6^{eff})$ are calculated by the use of the empirical formula (J. Chem. Phys. 1991, 95, 1852) estimating $(N_{eff})$ values to reproduce the experimental $(C_6^{eff})$ for atom-atom (or molecule) interactions. In the framework of the T-Rittner model the model potential is constructed and used to calculate the values of dissociation energy and dipole moment. The results obtained in the present study are in good agreement with the experiment one.

• Journal of the Korean Chemical Society
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• v.45 no.6
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• pp.570-576
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• 2001

The europium doped yttrium oxybromide phosphors were synthesized by solid-state reaction method. The YOBr: $Eu^{3+}$ phosphor showed a strong and narrow red emission band at 621 nm and maximum emission intensity obtained when 0.05 mol Eu ions were doped. The red emission of $Eu^{3+}$ originated from $^5D_0$ ${\rightarrow}$ $^7F_2$electric dipole transition. In order to investigate on photoluminescence behavior, several experimental skills and numerical fittings are conducted to the YOBr: $Eu^{3+}$ phosphor. The emission spectrum was measured in the UV range and then decay curve of $^5D_0$ ${\rightarrow}$ $^7F_j$transitions was examined. The energy interaction type of YOBr: $Eu^{3+}$ phosphor was dipole-dipole interaction. In addition to the calculating by critical concentration, the critical distance ($R_0$) was calculated by decay curve fitting parameter from Inokuti-Hirayamas equation, and spectral overlap method. The critical distance was 17.03, 10.51 and 7.18$\AA$ for those methods, respectively. As considering systematic error of measurements, these values are within the same order, so that the above fitting methods are plausible and recommendable.

• Proceedings of the Korean Vacuum Society Conference
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• 2014.02a
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• pp.434.1-434.1
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• 2014

최근 자성 나노 입자를 이용한 온열치료가 주목을 받고 있다. 자성을 띄는 나노 입자를 암 세포에 보내, 교류 자기장을 걸어주어 회전에 의한 마찰손실로 인한 열을 이용하여 암 조직만을 국소 가열하는 원리이다. 본 실험은 유도 자기장을 사용한 자성 나노 파우더의 가열을 목적으로 시행하였다. 나선형 코일위에 세라믹, 유리 등 절연체 원판 위에 자기장이 발생되도록 휴대용 평판형 자기장 발생장치를 제작하였다. 자기장 발생 장치는 평판형 나선형 코일에 특정 주파수를 가진 전원을 인가하여 자기장을 발생시킨다. 평판형 나선형 코일은 내경 40 mm, 외경 140 mm, 2 mm 동선으로 제작하였다. 제작한 자기장 발생장치를 자기장 측정 센서(Hall sensor 등)을 원판 위에 설치하여 거리별 자기장의 크기를 측정하였다. 자기장은 나선형 코일 위 원판 중심에서 최대로 발생되어 중심에서 멀어질수록 크기가 감소하였다. 자기장 발생장치 위에 자성 나노 파우더($Fe_3O_4$와 $CoFe_2O_4$)를 혼합한 용액 시료를 위치시키고 자기 쌍극자 모멘트와 자기장간의 상호작용을 유도한다. 이때 자성 나노 파우더별로 발생하는 열을 열전쌍(TC)이나 Optical fiber를 사용한 Thermometer로 측정하여 비교분석하였다.