• 제목/요약/키워드: Stable Equilibrium

검색결과 295건 처리시간 0.026초

Theoretical Studies on the A2 Hydrolysis of Methyl Acetimidate

  • Ikchoon Lee;Chang Kon Kim;Bon-Su Lee
    • Bulletin of the Korean Chemical Society
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    • 제11권3호
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    • pp.194-200
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    • 1990
  • Various mechanistic aspects of the A2 hydrolysis of methyl acetimidate were explored using the MNDO method. As in thecorresponding reactions of acetamide and methyl carbamate, a proton transfer pre-equilibrium exists between the N-protonated and the O-protonated tautomers, and the subsequent hydrolysis proceeds from the more stable N-protonated form. Of the two reaction pathways, the $A_{AL}2$ path is favored in the gas phase and in concentrated acid solutions, whereas the $A_{AC}2$ path is favored in less acidic solutions with a stable cationic tetrahedral intermediate formed in the rate determining step. Negative charge development on the alkoxy oxygen in the transition state suggested a rate increase with the increase in the electron withdrawing power of the alkoxy group. Calculations on the reaction processes with AM1 indicated that MNDO is more reliable in this type of work, although AM1 is better than MNDO in reproducing hydrogen bonds.

자연하천 만곡부의 횡방향 안정하상을 위한 한계속도 (Limit Velocity for Lateral Stable Bed in Natural Curved Channels)

  • 최종인
    • 한국수자원학회논문집
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    • 제35권2호
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    • pp.195-201
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    • 2002
  • 본 연구에서는 자연하천의 만곡수로에서 종방향 유속으로 인해 현재보다 더 이상 횡 방향 경사의 변형이 일어나지 않아 세굴이 감소하고 하상이 횡방향으로 안정한 상태를 유지할 수 있는 적정 유속의 한계인 한계속도를 제시하였다. 한계속도의 이론 유도는 하상횡경모형의이론적 배경이 되는 운동량모멘트방정식으로부터 얻은 하상면 횡방향전단력성분과 이에 대응하는 하상전단력과의 힘의 평형으로부터 유도되었다. 이론식의 검증을 위해 4개 자연하천수로의 실측자료론 적용하여 계산치와 실측치를 비교한 결과 잘 일치하였다. 적용결과에서 보정계수와 만곡수로의 평균입자 Froude수는 밀접한 상관관계를 갖고 있는 것으로 나타났다.

First-principles study of the initial-stage oxidation of Si(1110)-(7x7)

  • Lee, Sung-Hoon;Kang, Myung-Ho
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2000년도 제18회 학술발표회 논문개요집
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    • pp.147-147
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    • 2000
  • Chemisorption of oxygen molecules on the Si(111)-(7x7) surface has been studied extensively as a model for the initial-stage oxidation of the surface. The basic step to the surface oxidation is the dissociation of the adsorbed O2 molecules, but the dissociation procedure and the atomic structure of the reaction products still remains as a subject of debates. We present here density-functional theory calculations on the initial-stage oxidation states of the Si adatom site for all possible dissociation configurations that can be generated by multiple O2 reactions. We determine the equilibrium structures and analyze their electronic and vibrational properties in comparison with measured UPS, XPS, and EELS spectra. The O(ad) atom bonded on top of the Si adatom is always less stable than the O(ins) atom inserted into one of the adatom backbonds. Our electronic and vibrational analysis demonstrates further that the O(ad) and O(ins) atoms account well for the metastable and stable features in previous experiments, respectively. Moreover, the calculated decay pathways of the metastable structures and the comparison of the calculated O ls core-level shifts with XPS data provides a convincing argument in unambiguously identifying the experimental metastable and stable structures, thereby making it possible to build a correct atomic-scale picture of the initial-stage oxidation process on this surface.

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Use of Stable Isotope Probing in Selectively Isolating Target Microbial Community Genomes from Environmental Samples for Enhancing Resolution in Ecotoxicological Assessment

  • Park, Joonhong;Congeevaram, Shankar;Ki, Dong-Won;Tiedje, James M.
    • Molecular & Cellular Toxicology
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    • 제2권1호
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    • pp.11-14
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    • 2006
  • In this study we attempted to develop a novel genomic method to selectively isolate target functional microbial genomes from environmental samples. For this purpose, stable isotope probing (SIP) was applied in selectively isolating organic pollutant-assimilating populations. When soil microbes were fed with $^{13}C-labeled $ biphenyl, biphenyl-utilizing cells were incorporated with the heavy carbon isotope. The heavy DNA portion was successfully separated by CsCl equilibrium density gradient. And the diversity in the heavy DNA was sufficiently reduced, being suitable for the current DNA microarray techniques to detect biphenyl-utilizing populations in the soil. In addition, we proposed a new way to get more genetic information by combining this SIP method with selective metagenomic approach. The increased selective power of these new DNA isolation methods will be expected to provide a good quality of new genetic information, which, in turn, will result in development of a variety of biomarkers that may be used in assessing ecotoxicology issues including the impacts of organic hazards, and antibiotic-resistant pathogens on human and ecological systems.

Studies on the Macrocycle mediated Transport in a Bulk Liquid Membrane System of Transition Metal Ions

  • Cho, Moon-Hwan;Seon-Woo, Kie-Hwa;Heo, Moon-Young;Lee, In-Chong;Yoon, Chang-Ju;Kim, Si-Joong
    • Bulletin of the Korean Chemical Society
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    • 제9권5호
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    • pp.292-295
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    • 1988
  • Macrocyclic ligands have been studies as cation carriers in a bulk liquid membrane system. $Cu^{2+}$ has been transported using nitrogen substituted macrocycles as carriers and several transition metal ions($M^{n+}\;=\;Mn^{2+},\;Co^{2+},\;Ni^{2+},\;Cd^{2+},\;Pb^{2+}\;and\;Ag^{+}$) have been transported using $DBN_3O_2,\;DBN_2O_2,\;Me_6N_414C4$ and DA18C6 as carriers in a bulk liquid membrane system. Competitive $Cu^{2+}-M2^+$ transport studies have also been carried out for the same system. In single cation transport experiments, the best macrocyclic ligand for transport is a ligand that gives a moderately stable rather than very stable complex in the extraction. However, when both cations are present in the source phase, the cation which forms the most stable complex with carrier is favored in transport over other cations. Generally, the nitrogen substiituted macrocycles transport $Cu^{2+}$ selectively over $Mn^+$. Ligand structure, equilibrium constant (or stability constant) for complex formation, source phase pH and carrier concentration are also important parameters in transport experiments.

고해상 시료 채취를 통한 보구치 이석의 안정동위원소 분석 (High-resolution Stable Isotope Analyses of the Otolith of Argyrosomus argentatus)

  • 김부근;이태원
    • 한국해양학회지:바다
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    • 제13권1호
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    • pp.83-88
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    • 2008
  • 미세채취기를 이용하여 보구치(Argyrosomus argentatus)의 이석으로부터 탄산염 시료를 매우 조밀하게 채취하여 성장에 따른 고해상의 안정동위원소비의 변화를 조사하였다. 이석의 ${\delta}^{18}O$값과 ${\delta}^{13}C$값은 성장에 따라 점진적으로 증가하는 경향을 보였다. 그러나, 이러한 증가는 서식환경의 변화에 의한 것이 아니라, 초기성장동안 어류의 생리적인 작용에 의한 영향을 많이 받다가 점차적으로 줄어들면서 해양환경에 평형을 이루는 것으로 해석된다. 이 연구 방법과 결과는 앞으로 다른 어류의 이석으로부터 고해상의 안정동위원소 변화를 획득하여 어류의 성장과 서식환경의 변화를 연구하는데 적용할 수 있는 가능성을 제시한다.

수급모형을 이용한 양식넙치의 생산 및 출하조절 효과분석 (An Analysis of Production and Marketing Control Effect of Aqua-cultured Flounder Using Supply and Demand Models)

  • 고봉현
    • 수산경영론집
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    • 제47권4호
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    • pp.65-75
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    • 2016
  • The purpose of this study was to analyze the production and marketing control effects of aqua-cultured flounder required for stable income growth of aqua-cultured household. We analyzed the supply and demand structure of cultured flounder using the partial equilibrium model approach. And we estimated the optimal yield of cultured flounder and analyzed the effect of marketing control through constructed model. The main results of this study are summarized as follows. First, the fitness and predictive power of the estimated model showed that the RMSPE and MAPE values were less than 5% and Theil's inequality coefficient was very close to 0 rather than 1. It was evaluated that the prediction ability of the aqua-cultured flounder supply and demand model by dynamic simulation was excellent. Second, dynamic simulation based on policy simulation was conducted to analyze the price increase effect of production and shipment control of cultured flounder. As a result, if the annual production volume is reduced by 1%, 5%, and 10% among 32,852~37,520 tons, it is analyzed that the price increase effect is from 1.2% to 12.5%. Finally, this study suggests that the production and marketing control can increase the price of aqua-cultured flounder in the market. In this paper, we propose a policy implementation of the total supply system instead of conclusions.

지구정보시스템을 이용한 금수산일대의 암반사면 안정성 평가 (Analysis of Rock Slope Stability by Using GIS in Mt. Keumsu Area)

  • 배현철
    • 자원환경지질
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    • 제33권1호
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    • pp.77-88
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    • 2000
  • The goal of this study is to assess the spatial distribution of natural slopes and cutting slopes under would-be development. For this goal, a quantitative slope stability analysis method using GIS integrated with a computer program was developed. Through field investigations, the discontinuity parameters were collected such as orientation of discontinuity, persistence, spacing, JRC, JCS, and water depth. The distributions were interpolated from the ordinary kriging method in ARC/INFO GIS after variogram analysis. The layers showing all parameters needed for limit equilibrium analysis were constructed. The final layer using GIS works composed of 162,352 polygons, that is, unit slopes. The rock slope stability analysis program was coded by C++ language. This program can calculate geometrical vectors related to rock block failures using input orientation data and direction and dimension of strength to occur failure. Also, this can calculate shear strength of joints through empirical equations and quantitative factors of safety. This methodology was applied to the study area which is located in Jaecheon city and Danyang-gun of the northeastern Keumsu is about 135$km^2$. As a result, the study area was entirely stable but unstable, that is, factor of safety less than 1.0dominantly at the slopes near Keumsil, Daejangri, Keumsungmyun and Sojugol, Mt. Dongsan, Juksongmyun by the natural slope stability analysis. Assuming the cutting slope showing the same direction immediate, and quantitative analysis of factors of safety for a regional area could be conducted through GIS integrated with a computer program of limit equilibrium.

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Numerical analysis of the attitude stability of a charged spacecraft in the Pitch-Roll-Yaw directions

  • Abdel-Aziz, Yehia A.;Shoaib, Muhammad
    • International Journal of Aeronautical and Space Sciences
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    • 제15권1호
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    • pp.82-90
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    • 2014
  • In this paper, the effect of Lorentz force on the stability of attitude orientation of a charged spacecraft moving in an elliptic orbit in the geomagnetic field is considered. Euler equations are used to derive the equations of attitude motion of a charged spacecraft. The equilibrium positions and its stability are investigated separately in the pitch, roll and yaw directions. In each direction, we use the Lorentz force to identify an attitude stabilization parameter. The analytical methods confirm that we can use the Lorentz force as a stabilization method. The charge-to-mass ratio is the main key of control, in addition to the components of the radius vector of the charged center of the spacecraft, relative to the center of mass of the spacecraft. The numerical results determine stable and unstable equilibrium positions. Therefore, in order to generate optimum charge, which may stabilize the attitude motion of a spacecraft, the amount of charge on the surface of spacecraft will need to be monitored for passive control.

SELECTIVE REDUCTION OF ACTIVE METAL CHLORIDES FROM MOLTEN LiCl-KCl USING LITHIUM DRAWDOWN

  • Simpson, Michael F.;Yoo, Tae-Sic;Labrier, Daniel;Lineberry, Michael;Shaltry, Michael;Phongikaroon, Supathorn
    • Nuclear Engineering and Technology
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    • 제44권7호
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    • pp.767-772
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    • 2012
  • In support of optimizing electrorefining technology for treating spent nuclear fuel, lithium drawdown has been investigated for separating actinides from molten salt electrolyte. Drawdown reaction selectivity is a major issue that requires investigation, since the goal is to remove actinides while leaving the fission products and other components in the salt. A series of lithium drawdown tests with surrogate fission product chlorides was run to obtain selectivity data with non-radioactive salts, develop a predictive model, and draw conclusions about the viability of using this process with actinide-loaded salt. Results of tests with CsCl, $LaCl_3$, $CeCl_3$, and $NdCl_3$ are reported here. Equilibrium was typically achieved in less than 10 hours of contact between lithium metal and molten salt under well-stirred conditions. Maintaining low oxygen and water impurity concentrations (<10 ppm) in the atmosphere was observed to be critical to minimize side reactions and maintain stable salt compositions. An equilibrium model has been formulated and fit to the experimental data. Good fits to the data were achieved. Based on analysis and results obtained to date, it is concluded that clean separation between minor actinides and lanthanides will be difficult to achieve using lithium drawdown.