• 제목/요약/키워드: 안정화 에너지

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Background Reduction for the ${\gamma}$-Ray Spectrometry of Environmental Radioactivity (환경방사능의 감마선 분광분석을 위한 백그라운드 소멸)

  • Seo, Bum Kyoung;Lee, Kil Yong;Yoon, Yoon Yeol;Lee, Dae Won
    • Analytical Science and Technology
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    • v.14 no.3
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    • pp.212-220
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    • 2001
  • This study was performed to establish the analytical method of radium and radon in various environmental samples with the ${\gamma}$-ray spectrometry. The major problem in the measurements of low level ${\gamma}$-ray, such as environmental radioactivity, is the fluctuation of ${\gamma}$-ray background spectrum. To overcome this problem, a nitrogen gas was filled up in the detector chamber to reduce the background counts due to airborne radioactivities, i.e., $^{214}Pb$ and $^{214}Bi$, the daughters of $^{222}Rn$ in air. When nitrogen gas flowed around the detector, peak counts of ${\gamma}$-rays from the daughters of $^{222}Rn$ decreased about 80% below 1 MeV and about 20~50% above 1 MeV. The use of nitrogen purging results in approximately tenfold increment of sensitivity.

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Stabilization of Nickel-Rich Layered Cathode Materials of High Energy Density by Ca Doping (칼슘 도핑을 통한 고 에너지 밀도를 가지는 Ni-rich 층상 구조형 양극 소재의 안정화)

  • Kang, Beomhee;Hong, Soonhyun;Yoon, Hongkwan;Kim, Dojin;Kim, Chunjoong
    • Korean Journal of Materials Research
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    • v.28 no.5
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    • pp.273-278
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    • 2018
  • Lithium-ion batteries have been considered the most important devices to power mobile or small-sized devices due to their high energy density. $LixCoO_2$ has been studied as a cathode material for the Li-ion battery. However, the limitation of its capacity impedes the development of high capacity cathode materials with Ni, Mn, etc. in them. The substitution of Mn and Ni for Co leads to the formation of solid solution phase $LiNi_xMn_yCo_{1-x-y}O_2$ (NMC, both x and y < 1), which shows better battery performance than unsubstituted $LiCoO_2$. However, despite a high discharge capacity in the Ni-rich compound (Ni > 0.8 in the metal site), poor cycle retention capability still remains to be overcome. In this study, aiming to improve the stability of the physical and chemical bonding, we investigate the stabilization effect of Ca in the Ni-rich layered compound $Li(Ni_{0.83}Co_{0.12}Mn_{0.05})O_2$, and then Ca is added to the modified secondary particles to lower the degree of cationic mixing of the final particles. For the optimization of the final grains added with Ca, the Ca content (x = 0, 2.5, 5.0, 10.0 at.%) versus Li is analyzed.

Ab initio and DFT Study for the Internal Rotations of Cyclopropyldifluoroborane Molecule (Cyclopropyldifluoroborane 분자의 내부회전에 대한 이론적인 연구)

  • Kim, Gyeong-Lee;Lee, Jeong-Gyeong
    • Journal of the Korean Chemical Society
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    • v.50 no.4
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    • pp.291-297
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    • 2006
  • The equilibrium structures, relative energies and NBO analyses for the possible conformations and transition states which can exist on the internal rotation of CPDFB and CPCFB molecules have been investigated using DFT and ab initio methods with various basis sets. The interaction between bonding orbital ((C1-C3, C2-C3)) and antibonding orbital (n*(B9) and *(B9-Cl11)) was the main characteristic hyperconjugation in both molecules. In addition, the stabilization energy of CPDFB was 6.63kcal/mol and that of CPCFB was 6.97(E-form)/6.79(Z-form) kcal/mol for each conformation. The rotational barriers by internal rotation of BF2- and BFCl- functional groups were evaluated to be 5.3~6.7kcal/mol and 5.7~6.5kcal/mol respectively, which showed good agreement with the experimental values reported by previous dynamic NMR study. Finally, Z-form was more stable than E-form by 0.2 kcal/mol in CPCFB molecule and therefore Z-form was confirmed as global minimum.

Ab Initio Studies on Hydrogen-Bonded Trimers Formed between Hydrogen Cyanide and Hydrogen Fluorides (시안화수소와 플루오르화수소와의 수소결합 삼합체들에 관한 Ab Initio 연구)

  • Rhee, Soon Ki;Lee, Hyun Jin
    • 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.

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The Effect of Electrolyte Concentration for Colloid Adsorption toward a Fluid-Fluid Interface (유체 계면에서 콜로이드 흡착에 대한 전해질 농도의 영향)

  • Park, Bum Jun
    • Korean Chemical Engineering Research
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    • v.51 no.4
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    • pp.527-530
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    • 2013
  • I present the behavior of colloidal adsorption to an oil-water interface in the presence of electrolyte in an aqueous subphase. The optical laser tweezers and the piezo controller are used to trap an individual polystyrene microsphere in water and forcibly transfer it to the interface in the vertical direction. Addition of an electrolyte (i.e., NaCl) in the aqueous subphase enables the particle to attach to the interface, whereas the particle escapes from the trap without the adsorption in the absence of the electrolyte. Based on the analytical calculations of the optical trapping force and the electrostatic disjoining pressure between the particle and the oil-water interface, it is found that a critical energy barrier between them should exist. This study will provide a fundamental understanding for applications of colloidal particles as solid surfactants that can stabilize the immiscible fluid-fluid interfaces, such as emulsions (i.e., Pickering emulsions) and foams.

New Photochemistry of UV-Absorbing Chemicals in Phase-Controlled Polymer Microspheres (상구조가 조절된 고분자 미립구에서 자외선 흡수제의 거동에 대한 연구)

  • Lee Jong-Suk;Kim Jin-Woong;Kim Junoh;Han Sang-Hoon;Chang Ih-Seop
    • Journal of the Society of Cosmetic Scientists of Korea
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    • v.30 no.3 s.47
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    • pp.361-367
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    • 2004
  • In this study, a different UV (ultra-violet) ray absorption system is presented in which butyl methoxydiben-zoylmethane (BMDM, a model UV-A absorbent, 320$\~$400 nm) is stabilized in phase-controlled poly(methyl methacrylate) (PMMA) microspheres. The photochemistry of BMDM in the microspheres was investigated considering its phase characteristics therein. The analysis of a differential scanning calorimeter and X-ray diffractometer showed that the BMDM in the microspheres was present with a non-crystalline state. The phase control of BMDM in the polymer microsphere has an excellent ability to protect UV-A with maintaining its photo- and thermal stability. The results obtained in this study illustrate well that the phase control of the UV absorbents in the polymer microspheres is another key factor that de-termines its photochemistry and photostability in the final formulations.

Electro-optical Characteristics of the Dual-frequency Bistable Nematic Liquid Crystal Cell with Pixel-isolating Polymer Wall (폴리머 격벽에 의해 화소고립된 구조의 이중주파수 쌍안정 네마틱 액정셀의 전기광학 특성)

  • Lee, Seong-Ryong;Lee, Joong-Ha;Shin, Jae-Hoon;Song, Dong-Han;Yoon, Tae-Hoon;Kim, Jae-Chang
    • Korean Journal of Optics and Photonics
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    • v.19 no.3
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    • pp.161-168
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    • 2008
  • We propose a novel bistable nematic liquid crystal cell, which has a dual-frequency liquid crystal material and pixel-isolating polymer wall formed by an anisotropic phase separation of a mixture of liquid crystals and UV-curable pre-polymers. The proposed cell has two stable states of left- and right-handed ${\pi}$-twist. The switching between the two states is achieved by using a sequential waveform of low and high frequencies. A transmissive bistable liquid crystal display is designed, which achieves high contrast ratio by using the proposed cell and optical films.

Ab Initio Studies on Hydrogen-Bonded Dimers of Fluoromethanes with Ammonia and Water (플루오르화메탄들과 암모니아 및 물과의 수소결합 이량체들에 관한 Ab Initio 연구)

  • Soon-Ki Lee;Seung-Hoon Kim
    • Journal of the Korean Chemical Society
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    • v.37 no.4
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    • pp.408-415
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    • 1993
  • Systematic ab initio SCF calculations have been performed on the hydrogen-bonded dimers of fluoromethanes involving $CH_4,\;CH_3F,\;CH_2F_2\;and\;CHF_3$ with ammonia and water applying basis sets of 9s5p/5s and 9s5p1d/5p1d. Various ground state properties of these stable dimeric complexes have been evaluated. We compared these with corresponding properties of isolated monomers. We report equilibrium geometries, stabilization energies, dipole moments and force constants of intermolecular bonds. The effects arising as a consequence of the non-additive behavior of hydrogen bonding in chain-like oligomers are discussed. Systematic, methodical errors due to the use of the SCF approximation and the basis set dependence of the computed results are pointed out.

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Effects of UV Irradiation and Thermal Treatment of Photo-Degradable Polyimide Layer on LC Alignment (광분해성 고분자를 이용한 액정배향에서의 광조사 및 열처리 효과)

  • Lee, Jang-Ju;Lee, Won-Ho;Shin, Yong-Il;Paek, Sang-Hyon
    • Polymer(Korea)
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    • v.36 no.2
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    • pp.145-148
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    • 2012
  • The effects of the linearly polarized UV (LPUV) irradiation and thermal treatment of a photo-degradable polyimide (CBDA-ODA) alignment layer (AL) on its AL properties, liquid crystal (LC) alignment, and LCD characteristics have been investigated. The best quality of LC photo-alignment have been induced by the LPUV-irradiation with much (about 5~10 times) less dosage than that generating the maximum anisotropy of the AL. A thermal treatment of the LPUV-irradiated AL has effectively removed the undesirable, low-M.W. fragments of the AL generated during the photo-decomposition and increased the stability of the AL, which has resulted in improvement of the LC alignment and the LCD property.

플라즈마 침질탄화처리된 강의 시간변화에 따른 화합물층의 특성에 관한 연구

  • 박율민;조효석;남기석;이구현;신평우
    • Proceedings of the Korean Vacuum Society Conference
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    • 2000.02a
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    • pp.190-190
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    • 2000
  • 침질탄화처리는 표면경화처리의 화학열처리 종류로서 지난 수 십년동안 많이 사용된 방법이며 값싼 철강재료 즉 보통탄소강, 저합금강 등에 내마모성, 내부식성 및 내피로성 향상에 사용되어 왔다. 그리고 자동차 부품, 기계류 부품, 공업용 공구 등에 적용할 수 있으며 염욕 및 가스를 매체로 사용한다. 침질 탄화처리는 질소와 탄소가 동시에 철재료로 확산 침투하여 최표면에 탄질화물의 화합물층을 형성하고 화합물층 아래에 확산층을 형성하는데 일반적으로 화합물층이 단상의 $\varepsilon$화합물일 때 내마모성과 내부식성을 확산층이 내피로성질을 향상시킨다. 이러한 염욕과 가스 침질탄화 처리에도 불구하고 플라즈마 화학열처리는 가스방법에 비해 현저하게 가스 소모량이 적고 에너지 효율이 높으며 현제 문제시되는 환경오염이 전혀 없기 때문에 크게 각광받고 있다. 현재 플라즈마 침진탄화처리에 많은 연구를 하였음에도 불구하고 단상의 $\varepsilon$화합물층을 형성시키는 어려운 문제점으로 남아 있으며 대부분의 화합물층은 최표면의 $\varepsilon$상과 ${\gamma}$'상으로 구성되어 있고 이러한 혼합상의 화합물층은 $\varepsilon$상과 ${\gamma}$'상의 방위가 서로 불일치하기 때문에 마모시에 미소크랙을 유발시켜 내마모성을 저하시키는 요인으로 작용한다. 따라서 본 연구에서는 CH4 가스를 사용하여 내마모성과 내부식성을 향상시키는 단상의 $\varepsilon$화합물층 생성가능성을 고찰하고자 하였다. 침진탄화 처리시간을 변화시켰을 때 화합물층의 생성은 ${\gamma}$'상으로부터 시작되고 $\varepsilon$상은 즉시 ${\gamma}$'상을 소모하면서 생성되어 일정시간이 지난 후 $\varepsilon$상은 안정화되며 질소가스농도가 증가할수록 화합물 층내의 $\varepsilon$상분율은 역시 증가하였다. 한편 CH4 가스농도는 처리되는 강종에 따라 차이를 보이며 적정 CH4 가스농도를 초과시에는 $\varepsilon$상 생성은 억제되고 시멘타이트상이 생성되었다.

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