• 한국진공학회지
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• 제1권1호
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• pp.78-82
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• 1992

W(123) 표면위에 수소와 중소수가 흡착될 때 일함수의 변화를 장방출(Field Fmission) 방법으로 측정하였다. 78K에서 이 분자들이 흡착될 때 일함수의 변화는 처음에 는 증가하다가 최대치에 이른 후 감소하였고, 덮임율(coverage)이 증가함에 따라 포화되었 다. 텅스텐 tip의 온도를 200K까지 올렸을 경우에, 일함수의 변화가 최대가 되었을 때의 덮 임율은 78K일 때의 비해 낮은 덮임율 쪽으로 이동하였고, [011] 방향을 갖는 step 혹은 terrace에 의한 일함수의 효과도 동시에 관측되었다.

• Bulletin of the Korean Chemical Society
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• 제29권9호
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• pp.1769-1773
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• 2008

fThe kinetics and mechanism of the reactions of Y-O-aryl phenylphosphonochloridothioates with X-pyridines are investigated in acetonitrile at 35.0 ${^{\circ}C}$. The negative value of the cross-interaction constant, $\rho$XY = −0.46, indicates that the reaction proceeds by concerted $S_N2$ mechanism. The observed $k_H/k_D$ values involving d-5 pyridine ($C_5D_5N$) nucleophiles are greater than unity (1.05-1.11). The net primary deuterium kinetic isotope effects, $(k_H/k_D)_{net}$ = 1.28-1.35, excluding the increased $pK_a$ effect of d-5 pyridine are obtained. The transition state with a hydrogen bond between the leaving group Cl and the hydrogen (deuterium) atom in the C-H(D) is suggested for the studied reaction system.

• Bulletin of the Korean Chemical Society
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• 제8권6호
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• pp.476-479
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• 1987

The macrocyclic nickel complex of the molecular formula[Ni($C_{32}H_{26}N_4$)] has been synthesized from the template condensation reaction between 1-benzoylacetone and o-phenylenediamine in the presence of nickel acetate. Protonation and deuterium exchange reactions of the demetallated macrocyclic ligand and the nickel complex have been carried out. The infrared, electronic and proton magnetic resonance spectral data of both compounds are compared and discussed; protonation of the macrocyclic ligand take place at the nitrogen atoms and all the amine protons undergo very rapid deuterium exchange while the methine protons undergo very slow exchange. On the other hand, protonation of the nickel complex occurs at the nitrogen atoms and only amine protons undergo rapid deuterium exchange. Protonation and deprotonation of the nickel complexes proceed reversibly.

• Bulletin of the Korean Chemical Society
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• 제35권3호
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• pp.753-757
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• 2014

The nucleophilic substitution reactions of Y-aryl N,N-dimethyl phosphoroamidochloridates with substituted anilines and deuterated anilines are kinetically investigated in acetonitrile at $65.0^{\circ}C$. A stepwise mechanism with a rate-limiting leaving group departure from the intermediate is proposed based on the positive ${\rho}_{XY}$ value. The deuterium kinetic isotope effects involving deuterated anilines show secondary inverse with all the nucleophiles, rationalized by a dominant backside nucleophilic attack.

• 분석과학
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• 제13권1호
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• pp.127-129
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• 2000

The $^2H$ NMR analysis was used to determine the relative deuterium contents at the position of methyl and methylene in ethyl alcohols. Four different liquors manufactured in Korea clearly showed different R values from those of foreign liquors. These R values for the Korean liquors could be used to distinguish adulteration.

• 대한화학회지
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• 제40권5호
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• pp.357-364
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• 1996

아세톡시 1,3-옥사티올란 1의 이성체들의 입체화학을 두 가지 방법에 의해 결정하였다. 첫째, 산촉매하에서 디히드로옥사티인 2로의 전환되는 반응속도 차이에 의해 알파이성체 7과 베타이성체 9의 구조를 결정하였다. 이탈기인 아세톡시기가 황원자와 트랜스 위치에 있을 때 1,3-옥사티올란 고리에 대한 입체장애가 적은 이성체가 알파이성체 7이며 반응속도가 느린 이성체가 베타이성체 9이었다. 둘째, 술폭시드의 각각의 diastereomer들의 중수소 치환반응에서, methine 수소가 중수소로 치환된 화합물은 시스이성체 15, 17, 그리고 메틸기의 수소가 중수소로 치환된 화합물은 트랜스이성체 16, 18이었다. Methine 또는 메틸기의 수소의 중수소로의 치환은 [2,3] 시그마트로픽 전위에 의한 입체특이적 개환 및 폐환의 결과였다.

• Nuclear Engineering and Technology
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• 제54권7호
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• pp.2586-2591
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• 2022

In the present work, we have irradiated the DI-BSCCO superconducting tapes with the 100 keV deuterium ions to investigate the effect of ion irradiation on their critical current (Ic). The damage simulations are carried out using the binary collision approximation method to get the spatial distribution and depth profile of the damage events in the high temperature superconducting (HTS) tape. The point defects are formed near the surface of the HTS tape. These point defects change the vortex profile in the superconducting tape. Due to the long-range interaction of vortices with each other, the Ic of the tape degrades at the 77 K and self magnetic field. The radiation dose of 2.90 MGy degrades the 44% critical current of the tape. The results of the displacement per atom (dpa) and dose deposited by the deuterium ions are used to fit an empirical relation for predicting the degradation of the Ic of the tape. We include the dpa, dose and columnar defect terms produced by the incident particles in the empirical relation. The fitted empirical relation predicts that light ion irradiation degrades the Ic in the DI-BSCCO tape at the self field. This empirical relation can also be used in neutron irradiation to predict the lifetime of the DI-BSCCO tape. The change in the Ic of the DI-BSCCO tape due to deuterium irradiation is compared with the other second-generation HTS tape irradiated with energetic radiation.

• Nuclear Engineering and Technology
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• 제48권3호
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• pp.642-649
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• 2016

Important safety parameters such as the fuel temperature coefficient (FTC) and the power coefficient of reactivity (PCR) of the CANada Deuterium Uranium (CANDU-6) reactor have been evaluated using the Monte Carlo method. For accurate analysis of the parameters, the Doppler broadening rejection correction scheme was implemented in the MCNPX code to account for the thermal motion of the heavy uranium-238 nucleus in the neutron-U scattering reactions. In this work, a standard fuel lattice has been modeled and the fuel is depleted using MCNPX. The FTC value is evaluated for several burnup points including the mid-burnup representing a near-equilibrium core. The Doppler effect has been evaluated using several cross-section libraries such as ENDF/B-VI.8, ENDF/B-VII.0, JEFF-3.1.1, and JENDL-4.0. The PCR value is also evaluated at mid-burnup conditions to characterize the safety features of an equilibrium CANDU-6 reactor. To improve the reliability of the Monte Carlo calculations, we considered a huge number of neutron histories in this work and the standard deviation of the k-infinity values is only 0.5-1 pcm.

• Nuclear Engineering and Technology
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• 제47권1호
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• pp.85-93
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• 2015

Background: $^{241}Am$, $^{243}Am$, and $^{237}Np$ isotopes are among the most radiotoxic components of spent nuclear fuel. Recently, researchers have planned different incineration scenarios for the highly radiotoxic elements of nuclear waste in critical reactors. Computational methods are widely used to predict burnup rates of such nuclear wastes that are used under fuel matrixes in critical reactors. Methods: In this work, the Monte Carlo N-particle transport code was used to calculate the neutronic behavior of a transuranic (TRU)-bearing CANada Deuterium Uranium 6 reactor. Results: The computational data showed that the 1.0% TRU-containing thorium-based fuel matrix presents higher proliferation resistance and TRU depletion rate than the other investigated fuel Matrixes. The fuel matrix includes higher negative temperature reactivity coefficients as well. Conclusion: The investigated thorium-based fuel matrix can be successfully used to decrease the production of highly radiotoxic isotopes.

• Nuclear Engineering and Technology
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• 제50권5호
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• pp.794-800
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• 2018

The proliferation resistance (PR) of Th/U and Th/Pu fuels used in CANada Deuterium Uranium for the deep geological repository was assessed by combining the multiattribute utility analysis proposed by Chirayath et al., 2015 with the transport model of radionuclides in the repository and comparing with that of the used natural U fuel case. It was found that there was no significant advantage for Th/U and Th/Pu fuels from the viewpoint of the PR in the repository. It was also found that the PR values for used nuclear fuels in the repository of Th/U, Th/Pu, and natural U was comparable with those for enrichment and reprocessing facilities in the pressurized water reactor (PWR) nuclear fuel cycle. On the other hand, the PR values considering the transport of radionuclides in the repository were found to be slightly smaller than those without their transport after the used nuclear fuels started dissolving after 1,000 years.