• Title/Summary/Keyword: Dipole-dipole interaction

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Ultrafine Particle Collection Using an Electret Fiber with a Dipole Charge Distribution (쌍극자전하분포를 가진 정전섬유를 이용한 대전된 초미립자의 집진)

  • Lee Myong-Hwa;Otani Yoshio;Kim Jong-Ho;Kim Shin-Do
    • Journal of Korean Society for Atmospheric Environment
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    • v.21 no.2
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    • pp.145-153
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    • 2005
  • An electret fiber with a dipole charge distribution was used to capture charged ultrafine particles in this study. Brownian diffusion and Coulombic force are the dominant collection mechanisms in the electret filtration of charged ultrafine particles. The interaction between Brownian diffusion and Coulombic force for the deposition of ultrafine particles onto a dipolarly charged fiber is studied by solving the convective diffusion equation including Coulombic force as an external force, and the numerical results are compared with the experimental data. As a result, it is shown that there is a negative interaction between Brownian diffusion and Coulombic force, i.e., Coulombic capture efficiency is reduced with decreasing Pe. These results suggest that Brownian diffusion and Coulombic capture efficiency, $\eta$$_{CD}$ is not a simple sum of Brownian diffusion efficiency, $\eta$$_{D}$ and Coulombic capture efficiency, $\eta$$_{C}$.

Analysis of Photoluminescence of Eu3+ in YOBr and Investigation of Critical Distance (YOBr:Eu3+ 형광체의 발광특성과 임계거리 연구)

  • Kim, Gyeong Hwa;Park, Jong Gyu;Park, Hui Dong;Han, Jeong Hwa
    • 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.

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Regular Distribution of -OH Fragments on a Si (001)-c(4×2) Surface by Dissociation of Water Molecules (물 분자의 해리에 의한 Si (001)-c(4×2) 표면에서의 수산화기의 균일한 분포)

  • Lee, Soo-Kyung;Oh, Hyun-Chul;Kim, Dae-Hee;Jeong, Yong-Chan;Baek, Seung-Bin;Kim, Yeong-Cheol
    • Korean Journal of Materials Research
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    • v.20 no.9
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    • pp.457-462
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    • 2010
  • Adsorption of a water molecule on a Si (001) surface and its dissociation were studied using density functional theory to study the distribution of -OH fragments on the Si surface. The Si (001) surface was composed of Si dimers, which buckle in a zigzag pattern below the order-disorder transition temperature to reduce the surface energy. When a water molecule approached the Si surface, the O atom of the water molecule favored the down-buckled Si atom, and the H atom of the water molecule favored the up-buckled Si atom. This is explained by the attractions between the negatively charged O of the water and the positively charged down-buckled Si atom and between the positively charged H of the water and the negatively charged up-buckled Si atom. Following the adsorption of the first water molecule on the surface, a second water molecule adsorbed on either the inter-dimer or intra-dimer site of the Si dimer. The dipole-dipole interaction of the two adsorbed water molecules led to the formation of the water dimer, and the dissociation of the water molecules occurred easily below the order-disorder transition temperature. Therefore, the 1/2 monolayer of -OH on the water-terminated Si (001) surface shows a regular distribution. The results shed light on the atomic layer deposition process of alternate gate dielectric materials, such as $HfO_2$.

Molecular Interactions of Soaked Nonionic Dye in Ionomer Films (아이오노머 필름에 흡수된 비이온계 염료의 분자간 상호작용에 관한 연구)

  • ;;;;;;Forrest A. Landis;Robert B. Moore
    • Polymer(Korea)
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    • v.25 no.5
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    • pp.671-678
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    • 2001
  • Sodium and zinc salts of poly(ethyaene-co-methacrylic acid) ionomers consist of three phases, i.e. ionic aggregates, amorphous, and crystalline phases. Dye molecules after soaked from the methanol solution are located near the amorphous phase or ionic aggregates within ionomer films. Depending on the location of the molecules in the ionomer film, they are under influence of dispersion forces (ethylene parts), polar forces (acid parts). and ionic dipole (ionic aggregates) interactions. The UV/Vis absorption peak of Nile Red under the dispersion force is found at near 500 nm, for the dye under the polar force effect 525 nm, and 550 and 610 nm for the dyes under $Na^+$ and $Zn^{2+}$ ionization effects, respectively. Since the divalent $Zn^{2+}$ ion has larger ionic dipole than the monovalent $Na^+$ ion, the larger red-shift of the absorption band due to the ionic dipole interaction is observed for $Zn^{2+}$ counter ion.

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Configurtion of electron transfer cofactors in photosystem II studied by pulsed EPR

  • Asako Kawamori;NobuhiroKatsuta;Sachiko Arao;Hideyuki Hara;Hiroyuki Mino;Asako Ishii;Ono, Taka-aki;Jun Minagawa
    • Journal of Photoscience
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    • v.9 no.2
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    • pp.379-381
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    • 2002
  • The major electron transfer cofactors in photosystem II have been studied by pulsed EPR, pulsed electron electron double resonance (PELDOR) and laser excited spin polarized electron spin echo envelope modulation (ESEEM) methods, in non-oriented and oriented photosystem II membranes. Distances between radical pairs were determined trom the observed dipole interaction constants to be 27.3 A for P680-QA, 30 A, etc. with the error within 1 A. Angles between the distance vector and membrane normal was determined by orientation dependence of oriented membranes with the accuracy of 5˚ The results were compared with the recent structural data by X-ray analysis.

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Numerical Simulation of Acoustic Field Interacting between a Vortex Ring and a Rigid Sphere (원형 고리와와 강체구의 상호작용에 의한 음향장 수치해석)

  • 유기완;이덕주
    • Journal of KSNVE
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    • v.7 no.2
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    • pp.215-222
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    • 1997
  • The flow and acoustic fields due to a vortex ring interaction with a rigid sphere are simulated numerically. The flow field is regarded as three-dimensional inviscid and incompressible. The vorticity is assumed to be concentrated inside the finite core of vortex filament. The vortex filament curve, described by parabolic blending curve function, is used to effectively solve the modified Biot-Savart equation. The interaction between a vortex ring and a rigid sphere using the parabolic blending curve is calculated. The trajectory of the vortex ring is obtained with several different initial positions between the ring and the sphere. The force variations acting on the sphere are calculated by using the boundary integral method. Finally, we can also obtain the acoustic signals at the far field observation positions from the force variations acting on the rigid surface. We can find that the dipole axis of the directivity patterns are rotated during the interacting phenomena.

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A Study on Spin-Lattice Relaxation of $^{19}$F Spins in Benzotrifluoride: Contributions from Dipole-Dipole Interaction and Spin-Rotation Interaction

  • Hyun Namgoong;Jo Woong Lee
    • Bulletin of the Korean Chemical Society
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    • v.14 no.1
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    • pp.91-95
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    • 1993
  • In this work we have studied the spin-lattice relaxation of $^{19}$F spins in benzotrifluoride in our quest for a reliable method of discriminating the contribution due to dipolar relaxation mechanism from that due to spin-rotational mechanism for nuclear spins located on methyl or substituted methyl group in organic molecules. Over the temperature range of 248-268 K the decay of normalized longitudinal magnetization was found to be well described by a two parameter equation of the form R(t) = exp(-st){$\frac{5}{6}$exp(-s$_1$)+$\frac{1}{6}$} which was derived under the assumption that interactions in the A3 spin system are modulated randomly and predominantly by internal rotational motions of -CF_3$ top, and it was shown that the separation of contribution due to dipolar interactions from that due to spin-rotation interaction could be successfully achieved by least-square fitting of observed data to this equation. The results indicate that the spin-rotational contribution is overwhelmingly larger than that of dipolar origin over the given temperature range and becomes more deminating at higher temperature.

Finite Element Simulation of Laser-Generated Ultrasound and Interaction with Surface Breaking Cracks (유한요소법을 이용한 레이저 유도 초음파와 표면 균열과의 상호작용 모델링)

  • Jeong, Hyun-Jo;Park, Moon-Cheol
    • 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.

The Effect of Induced Multipoles on the Fifth-order Raman Response

  • Jansen, Thomas I.C.;Duppen, Koos;Snijders, Jaap G.
    • Bulletin of the Korean Chemical Society
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    • v.24 no.8
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    • pp.1102-1106
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    • 2003
  • In our previous work we developed the Finite Field method in order to calculate the fifth-order Raman response. The method was applied to calculate various polarization components of the two-dimensional response of liquid $CS_2$. So far, all calculations relied on the dipole-induced dipole. Accurate time-dependent density functional theory calculations have shown that this model has big discrepancies, when molecules are close together as in the liquid. We now report results of investigations on the importance of multipole and electron overlap effects on the polarizability and the fifth-order Raman response. It is shown that these collision effects, especially the induced multipoles, are crucial in the description of the fifth-order response. The impact is found to be especially pronounced for the χ_{mmzzzz}^{(5)}$response that is solely due to interaction induced effects. The calculated response will be compared with various experimental results.

Domain Structure of Liguid Water According to the Theory of Intermolecular Forces

  • Mu Shik Jhon;Ung In Cho
    • Journal of the Korean Chemical Society
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    • v.16 no.3
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    • pp.135-141
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    • 1972
  • In the past years, a number of theories have been published to elucidate the structure of liquid water. common to most of these theories is that water mainly consist of several different kinds of clusters and also hydrogen bonds in water may be bent to some degree. Recentrly, in a series of paper, Jhon and Eyring successfully explained thermodynamic, dielectric, surface and transport properites of water, assuming that it contains small domains of about 46 molecules. According to the theory, the cluster size does not change with temperature, but the cluster concentration changes. In this paper, the potential function for the hydrogen bond, the dispersion energy and dipole-dipole interaction terms. The calculated results show that the domain of nearly 46 molecules is energetically most probable, and its size is independent of temperature. And also, we evaluated the effect of angel variation of the bent hydrogen bond. In addition, the relaxation energy different for ice and water is also explained by this method.

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