• 제목/요약/키워드: MO calculation

검색결과 225건 처리시간 0.027초

금속황화물의 염소화 반응 (Chlorination of Metal Sulfide with Chlorine Gas)

  • 송연호;홍정선;이철태
    • 공업화학
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    • 제5권6호
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    • pp.1078-1091
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    • 1994
  • 기존의 자료로부터 얻을 수 있는 열역학적 계산에 의하면 금속 황화물을 염소가스에 의하여 금속 염화물로 얻을 수 있음을 알 수 있다. 실제로 AgS, $AS_2S_3$, CdS, CuS, $Cu_2S$, FeS, HgS, $MoS_2$, $Ni_3S_2$, PbS, $Sb_2S_3$, ZnS의 황화금속을 염소가스와 반응시켜 이를 열중량법에 의하여 고찰하였다. 이론적 계산이나 실험적 연구에서 황화물의 염소화 반응은 황화광물의 추출 야금 공정에 대한 좋은 대체 방법임을 알 수 있었다.

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1-Halo-3-Phenyl-1,2-Propadiene들의 가수분해에 대한 반응속도론적 연구 (Kinetics and Mechanism of the Hydrolysis of 1-Halo-3-Phenyl-1,2-Propadienes)

  • 이강렬;유힐라;정인찬;허태성
    • 대한화학회지
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    • 제41권7호
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    • pp.351-356
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    • 1997
  • haloallene 유도체(1-halo-3-phenyl-1,2-propadiene)에 대해 EHMO계산을 하여, 에너지적으로 안정한 haloallene 분자의 구조를 결정하였다. MO 계산 데이터와 속도론적인 실험 결과로부터 haloallene의 가수분해반응 메카니즘을 제안하였다. pH 8.0 이하에서는 중간체로 carbonium ion Ⅱ이 생성되는 용매도움 $S_N1$ 메카니즘에 의해 진행된다. 그러나 pH 9.5 이상에서는 전위상태 Ⅲ를 거치는 $S_N2'$ 메카니즘에 의해 진행된다.

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강재(34CrMo4)를 사용한 대형 고압가스 용기의 설계 자동화 시스템 개발 (Development of an Automated Design System of a Large Pressure Vessel using the Steel, 34CrMo4)

  • 김지훈;김의수;김철;최재찬
    • 한국정밀공학회지
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    • 제20권8호
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    • pp.21-29
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    • 2003
  • This paper describes a research work on the development of computer-aided design system for deep drawing & ironing of a high pressure vessel. An approach to the system is based on the knowledge-based rules. Knowledge for the system is formulated from plasticity theories, handbook, experimental results and empirical knowledge of field experts. An attempt is made to link programs incorporating a number of expert design rules with the process variables obtained by commercial FEM software, DEFORM and ANSYS, to form a useful package. It is composed of five main modules, which are calculation of product thickness, input, production feasibility check, process planning, and autofrettage process modules and two submodules, which are folding check and process variable verification submodules. Programs for the system have been written in AutoLISP on the AutoCAD 2000 using personal computer. The developed system makes it possible to design and manufacture large high pressure vessel requiring D.D.I. process more efficiently.

Metal Anion Polymerization에 관한 연구 (제3보). The Temperature Effect on Polymolybdate Ions Equilibrium in 1 M $NaClO_4$Solution (Studies on Polymerization of Metal Anion (III). The Temperature Effect on Polymolybdate Ions Equilibrium in 1 M $NaCIO_4$ Solution)

  • 안상운;박의서
    • 대한화학회지
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    • 제17권3호
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    • pp.145-153
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    • 1973
  • 1M $NaCIO_4$용액에서 다중몰리브덴산염 음이온 평형에 대한 온도의 영향을 20~50$^{\circ}$C온도 범위 내에서 고찰해 보았다. 이 온도 범위에서 생성된 다중몰리브덴산염 음이온은 평형 온도에 관계없이 헵타몰리브덴산염($Mo_7O_{24}^{-6}$) 이온과 헵타몰리브덴산염의 양성자화된 꼴($H_LMo_7O_{24}^{(6-L)-}$) 이었다. 실렌의 방법을 사용하여 계산한 헵타몰리브덴산염 형성에 대한 평형상수는 지적한 평형 온도에서 각각 다음과 같다. $8H^{+}+7MoO_4^{2-}=Mo_7O_{24}^{6-}+4H_2O$, $k_{7.8}=2.77{\times}10^{53}:20^{\circ}C= 9.29{\times}10^{51}:40^{\circ}C$,$k_{7.8}= 4.22{\times}10^{52}:30^{\circ}C = 9.29{\times}10^{51}:50^{\circ}C$ 위 반응에 대하여 반트호프 방정식을 이용하여 계산한 엔탈피 변화는 31.50kcal/mole이었다. 프로톤화헵타몰리브덴산염 이온 형성에 대한 평형상수 계산법을 유도하여 프로톤화헵타몰리브덴산염 형성에 대한 평형상수를 계산하였으며 그 결과는 다음과 같다.$ LH + Mo_7O_{24}^{-6} = H_LMo_7O_{24}^{(6-L)-} : L = 1\;or\;2$, $k_1 = 2.31{\times}10^4=2.53{\times}10^4=2.76{\times}10^4= 3.10{\times}10^4$, $k_2 = 6.19{\times}10^7\;20^{\circ}C = 7.80{\times}10^7\;30^{\circ}C = 1.22{\times}10^8\;40^{\circ}C = 2.03{\times}10^8\;50^{\circ}C$ 다음 단계 반응에 대하여 반트호프 방정식에 의하여 계산한 엔탈피 변화는 다음과 같다. $H^{+}+Mo_7O_{24}^{6-}= HMo_7O_{24}^{5-}\;{\Delta}H^{\circ}=1.900 kcal/mole$, $2H^{+}+Mo_7O_{24}^{6-}=H_2Mo_7O_{24}^{4-}\;{\Delta}H^{\circ}=7.500kcal/mole$

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성인 여성의 미량무기질(Fe, Zn, Cu, Mn, Se, Mo 및 Cr) 섭취량 - 분석치와 계산치의 비교 - (Dietary intakes of Fe, Zn, Cu, Mn, Se, Mo, and Cr of Korean adult women - Comparison between the data from analyzed and calculated -)

  • 김경희;임현숙
    • 한국가정과학회지
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    • 제9권3호
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    • pp.69-79
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    • 2006
  • The previous studies on the intake of trace elements performed in Korea were only concerned about major elements like Fe, Zn or Cu. There is little data about the intake of minor elements like Mn, Se, Mo or Cr. And most of the data were obtained by calculation using Food Composition Tables or by analysis using atomic absorption spectrophotometers (AAS). The purpose of this study, therefore, was to evaluate the dietary intake of seven trace elements, Fe, Zn, Cu, Mn, Se, Mo, and Cr of Korean adult wonmen and to compare the data between analyzed using ICP-MS (or ICP-AES) and calculated by the CAN-Pro (or Food Composition Table). A total of nineteen adult women participated voluntarily in this study and collected one-tenth of the foods that they consumed for three consecutive days. Analyzed intake of Fe of the subjects was $6.94{\pm}2.18$ (calculated, $18.87{\pm}4.50$) mg/day, that of Ze was $9.35{\pm}4.95$ (calculated, $8.35{\pm}2.87mg/day$), that of Cu was $1.18{\pm}0.26\;(1.11{\pm}0.32mg/day)$, that of Mn was $3.69{\pm}0.69\;(2.83{\pm}1.68mg/day)$, that of Se was $41.93{\pm}9.28$ (calculated, $27.58{\pm}6.97{\mu}g/day$), that of Mo was $134.0{\pm}49.1{\mu}g/day$, and that of Cr was $136.5{\pm}147.9{\mu}g/day$. The analyzed Fe intake of the subjects did not meet Estimated Average Requirement (EAR) nor Recommended Intakes (RI) for Korean women aged 20-29 years old. However, the analyzed intakes of the other six elements, Zn, Cu, Mn, Se, Mo, and Cr, seemed to meet each of the respective RIs. The analyzed Fe intake was significantly lower than the calculated one, in fact by 2.72 times, however, the analyzed intakes of the other elements, Mn and Se, were significantly higher and those of Zn and Cu were similar than each of the calculated ones. The difference of the data between analyzed and calculated intakes indicates that it is necessary to set up database on trace element contents of foods of the Food Composition Table and the CAN-Pro so as to have accuracy.

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지하매설 도시가스배관의 누출시나리오에 따른 사고피해영향분석 (Consequence Analysis for Release Scenario of Buried High Pressure Natural Gas Pipeline)

  • 김진형;고병석;양재모;고상욱;고재욱
    • 한국가스학회지
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    • 제18권3호
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    • pp.67-74
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    • 2014
  • 인구가 밀집되어 있는 도심지역에 매설된 천연가스 공급배관은 외부 또는 내부 결함으로 인한 가스의 누출, 확산, 화재, 폭발로 발생되는 재산과 인명피해의 큰 잠재위험을 지니고 있다. 사고를 미연에 방지하기 위해 정량적 평가에 기초한 위험관리를 실시하고 있으며, 매설배관의 정량적 위험성을 평가하기 위해서는 우선적으로 사고피해영향 분석을 통한 화학물질의 누출량 계산, 확산 분석, 화재 및 폭발로 인한 복사열과 압력파 계산이 필요하다. 본 논문에서는 CCPS, TNO에서 제안하는 model 들을 통하여 실제 San Bruno 매설배관 폭발 사고 시나리오를 기반으로 천연가스의 누출량, Fireball의 복사열 계산을 수행하고 결과 값을 실제 피해결과와 비교분석 하였다.

선체변형을 고려한 탄성 축계정렬 설계 프로그램 개발 (Development of Elastic Shaft Alignment Design Program)

  • 정준모;최익흥
    • 대한조선학회논문집
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    • 제43권4호
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    • pp.512-520
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    • 2006
  • The effects of flexibilities of supporting structures on shaft alignment are growing as ship sizes are Increasing mainly for container carrier and LNG carrier. But, most of classification societies not only do not suggest any quantitative guidelines about the flexibilities but also do not have shaft alignment design program considering the flexibility of supporting structures. A newly developed program, which is based on innovative shaft alignment technologies including nonlinear elastic multi-support bearing concept and hull deflection database approach, has S basic modules : 1)fully automated finite element generation module, 2) hull deflection database and it's mapping module on bearings, 3) squeezing and oil film pressure calculation module, 4) optimization module and 5) gap & sag calculation module. First module can generate finite element model including shafts, bearings, bearing seats, hull and engine housing without any misalignment of nodes. Hull deflection database module has built-in absolute deflection data for various ship types, sizes and loading conditions and imposes the transformed relative deflection data on shafting system. The squeezing of lining material and oil film pressures, which are relatively solved by Hertz contact theory and built-in hydrodynamic engine, can be calculated and visualized by pressure calculation module. One of the most representative capabilities is an optimization module based on both DOE and Hooke-Jeeves algorithm.

점도변화와 흡착현상을 고려한 시멘트계 그라우트재의 새로운 침투 기준 (A New Groutability Criterion of Cement-based Grout with Consideration of Viscosity and Filtration Phenomenon)

  • 김종선;이인모;이문선;최항석
    • 한국지반공학회:학술대회논문집
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    • 한국지반공학회 2009년도 춘계 학술발표회
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    • pp.154-163
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    • 2009
  • The groutability depends on the properties of the grout, its injection processes, and on the mechanical properties of the soil formation. During the process of pouring cement-based grouting into a porous medium, a variation with time occurs in the viscosity of grout suspension. In addition the particle filtration phenomenon will limit the expansion of the grouted zone because cement particles are progressively stagnant within the soil matrix. In this paper, a closed-form solution was derived by implementing the mass balance equations and the generalized phenomenological filtration law, which can be used to evaluate the deposition of cement-based grout in the soil matrix. The closed-form solution relevant to a particular spherical flow was modified by a step-wise numerical calculation, considering the variable viscosity caused by a chemical reaction, and the decrease in porosity resulting from grout particle deposition in the soil pores. A series of pilot-scale chamber injection tests was performed to verify that the developed step-wise numerical calculation is able to evaluate the injectable volume of grout and the deposition of grout particles. The results of the chamber injection tests concurred well with that of the step-wise numerical calculation. Based on the filtration phenomenon, a new groutability criterion of cement-based grout in a porous medium was proposed, which might facilitate a new insight in the design of the grouting process.

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비선형 탄성 다점지지 베어링 요소를 이용한 선미관 베어링의 유효지지점 검증 (Verification of Effective Support Points of Stern Tube Bearing Using Nonlinear Elastic Multi-Support Bearing Elements)

  • 정준모;최익흥;김규창
    • 대한조선학회논문집
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    • 제42권5호
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    • pp.479-486
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    • 2005
  • The final goal of shift alignment design is that the bearing reaction forces or mean pressures are within design boundaries for various service conditions of a ship. However, it is found that calculated bearing load can be substantially variable according to the locations of the effective support points of after sterntube bearing which are determined by simple calculation or assumption suggested by classification societies. A new analysis method for shaft alignment calculation is introduced in order to resolve these problems. Key concept of the new method is featured by adopting both nonlinear elastic and multi-support elements to simulate a bearing support Hertz contact theory is basically applied for nonlinear elastic stiffness calculation instead of the projected area method suggested by most of classification societies. Three loading conditions according to the bearing offset and the hydrodynamic moment and twelve models according to the locations of the effective support points of sterntube bearings are prepared to carry out quantitative verifications for an actual shafting system of 8000 TEU class container vessel. It is found that there is relatively large difference between assumed and calculated effective support points.

Digital Sequence CPLD Technology Mapping Algorithm

  • Youn, Choong-Mo
    • Journal of information and communication convergence engineering
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    • 제5권2호
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    • pp.131-135
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    • 2007
  • In this paper, The proposed algorithm consists of three steps. In the first step, TD(Transition Density) calculation has to be performed. a CLB-based CPLD low-power technology mapping algorithm considered a Trade-off is proposed. To perform low-power technology mapping for CPLDs, a given Boolean network has to be represented in a DAG. Total power consumption is obtained by calculating the switching activity of each node in a DAG. In the second step, the feasible clusters are generated by considering the following conditions: the number of inputs and outputs, the number of OR terms for CLB within a CPLD. The common node cluster merging method, the node separation method, and the node duplication method are used to produce the feasible clusters. In the final step, low-power technology mapping based on the CLBs packs the feasible clusters. The proposed algorithm is examined using SIS benchmarks. When the number of OR terms is five, the experiment results show that power consumption is reduced by 30.73% compared with TEMPLA, and by 17.11 % compared with PLA mapping.