• Title/Summary/Keyword: 범아

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수용액중에서 모노에탄올아민의 CO2 흡수반응의 반응자유에너지의 밀도범함수 계산모델.

  • Jang, Yong-Hun;Kim, Yong-Jun;Wi, E-Hwan;Lee, Sang-Yeon
    • Proceeding of EDISON Challenge
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    • 2014.03a
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    • pp.53-61
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    • 2014
  • 온실가스 증가로 인한 지구온난화 문제가 범세계적인 문제로 대두되고 있는 가운데, 특히 온실가스 중 약 76%이상을 차지하는 이산화탄소를 흡수하기 위한 흡수제 개발에 여러 국가들이 심혈을 기울이고 있다. 그 중 이산화탄소 흡수제로 가장 상용화 되어 있는 모노에탄올아민(monoethanolamine, MEA)은 분자량이 작아 몰 농도비에 따른 이산화탄소의 흡수에 유리하고 반응속도가 빠르다는 장점이 있으나, 재생에 필요한 에너지가 높다는 단점이 존재한다. 수용액중에서 MEA가 $CO_2$를 흡수하는 반응의 반응자유에너지는 반응메카니즘을 이해하는데 가장 기본적인 도구이다. 본 연구에서는 B3LYP, M06-2X의 밀도범함수를 이용하여 MEA의 $CO_2$ 흡수반응의 반응자유에너지를 계산하는 계산모델을 선정하였다. 수용액에서 MEA가 $CO_2$를 흡수하는 반응의 반응자유에너지를 밀도범함수를 이용하여 계산할 때는, 수용액상태에서 화학종의 분자구조를 최적화하는 것이 필요하였다. 또한 M06-2X 밀도범함수가 B3LYP 밀도범함수보다 좋은 결과를 주었으며, 분산보정을 하는 것이 보다 좋은 결과를 주었다.

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Assessing Density Functional Theories to Compute the OH Stretching Frequencies of Water Molecules in Condensed Phases (응축상 물 분자의 OH 수축 진동수 계산을 위한 전자밀도 범함수 비교)

  • Kiyoung, Jeon;Mino, Yang
    • Journal of the Korean Chemical Society
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    • v.67 no.1
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    • pp.13-18
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    • 2023
  • We evaluate electron density functional theories for the computation of 0-1 and 1-2 transition energies of local OH stretching motion of water molecules in condensed phases. By examining thirteen density functionals and nine sets of basis functions, it was found that the optimal combination that predicts the transition energies highly correlated with those calculated by the coupled cluster theory, CCSD(T), is the hybrid density functional theory developed by Head-Gordon group, ωB97X(D)/6-31+G*.

회원작품

  • Korea Institute of Registered Architects
    • Korean Architects
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    • v.5 no.12 s.28
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    • pp.24-36
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    • 1970
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The Fuzzy QFD Approach to Importance the Public Sector Information Performance Measurement Category (퍼지 QFD를 활용한 공공부문 정보화 성과 측정범주 중요도 도출)

  • Oh, Jin-Seok;Song, Young-Il
    • Information Systems Review
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    • v.12 no.2
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    • pp.189-203
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    • 2010
  • Is presenting guidance of information performance measurement as government PRM version 2.0 these common reference models in public sector. Government PRM is consisted of assessment classification system and standard line of sight and performance management standard form. Through this, is sorting performance element and define cause-and effect. Government PRM is supplying measurement categories at assessment classification system, but relative importance for application standard by measurement categories is not presenting. In this study, importance for government PRM's measurement categories been applying by commonness Test of information performance measurement of public sector wishes to deduce estimation and priority. Research model used Fuzzy QFD, and designed so that can reflect well PRM's development purpose. I applied Fuzzy AHP and FPP method that graft together fuzzy theory to minimize uncertainty and ambiguity in that expert opinion. Is drawn to element that "Standard model offer for information department and management" is the most important in government PRM's development purpose. "Quality of service" is showing the highest priority in customer results in measurement category. Importance for government PRM's measurement categories can offer common valuation basis in government and public institution. Hereafter if examine closely quantitative cause-and effect for structure model of measurement classification system when study government PRM more objective and efficient reference model become.

Strategy of establishing Nation-wide GIS in Korea (범국가 전산망 구축을 위한 GIS 추진방향)

  • 이태식;조영준
    • Spatial Information Research
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    • v.1 no.1
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    • pp.29-38
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    • 1993
  • Each office developped GIS for their own purpose recantly. But many cases, establ ished in some local government off ices, were found not to perform properly. The main problem is to integrate different offices' systems. Also. accurate nation-wide digital basemap database does not exist in Korea. To solve these problems, the suggestions are following: $\circled1$ develop the nation¬wide digital basemap database to increase the effectiveness of GIS, $\circled2$ make the database with standardized format, $\circled3$ educate and train people to be spcialist, $\circled4$ make laws and regulations to share and to integrate database.

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Comparison of Pood Chemical Properties in Olive Flounder (Paralichthys olivaceus), Spotted Flounder (Verasper variegatus) and Their Hybrid Muscle (넙치, 범가자미 및 잡종 (넙치 male $\times$ 범가자미 female) 근육의 식품화학적 특성 비교)

  • KIM Tae-Jin;MIN Jin-Gi;YOON Ho-Dong;LEE Doo-Seog;PARK Jeong-Heum;SON Kwang-Tae;KIM Kyung-Kil
    • Korean Journal of Fisheries and Aquatic Sciences
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    • v.32 no.1
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    • pp.50-55
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    • 1999
  • The proximate composition, mineral content, fatty acid composition, ATP related compounds, amino acid composition, color and texture were investigated with dorsal and ventral muscle from olive flounder, spotted flounder and hybrid (olive flounder m $\times$spotted flounder f). Spotted flounder and hybrid were higher in moisture content, and lower in crude protein content than those of olive flounder, Potassium content in hybrid was higher than that in olive flounder and spotted flounder. Hybrid was lower in calcium, iron, manganese content, and higher in magnesium content than olive flounder and spotted flounder. The contents of saturated fatty acid, unsaturated fatty acid and docosahexaenoic acid (DHA) in hybrid were intermediate level of spotted flounder and olive flounder. Fatty acid composition of dorsal muscle was slightly similar to ventral muscle. Adenosine triphosphate (ATP) and its related compounds contents and amino acid content in hybrid were intermediate level of spotted flounder and olive flounder, and these compounds of dorsal muscle were slightly similar to those of counterpart. The major amino acids such as aspartic acid, glutamic acid, leucine and Iysine were very similar to all the samples. Total amino acid and essential amino acid contents in dorsal muscle were slightly higher than those in ventral muscle. Free amino acid content and composition in hybrid were similar to spotted flounder, and free amino acid content in dorsal muscle was higher than in ventral muscle, The lightness of hybrid and spotted flounder was stronger than that of olive flounder, and was stronger in dorsal muscle. The breaking strength of hybrid was slightly lower than that of spotted flounder, and was stronger in dorsal muscle.

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Can Differences in Nations' Rule of Law be Explained by Religion? (국가 간의 법규범의 상이함이 종교에 의해 설명되어 질 수 있는가?)

  • Park, Chung-Yeol;Skinner, David L.
    • Journal of the Korea Academia-Industrial cooperation Society
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    • v.13 no.2
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    • pp.597-605
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    • 2012
  • This research examines whether religions can explain differences in the rule of law across nations. It finds that several religious groups can explain much of the variation in the rule of law while others have no explanatory power.

Stability of a Generalized Quadratic Functional Equation (일반화된 2차 범함수방정식의 안정성)

  • Kim, Mi-Hye;Hwang, In-Sung
    • The Journal of the Korea Contents Association
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    • v.3 no.3
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    • pp.103-109
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    • 2003
  • Functional equations are useful in the expermental science because they play very important to formulate mathematical moods in general terms, through some not very restrictive equations, without postulating the forms of such functions. In this paper n solve one of a generalized quadratic functional equation (equation omitted) and prove the stability of this equation.

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