• Bulletin of the Korean Chemical Society
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• 제7권6호
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• pp.448-453
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• 1986

Two contributions to the activation barrier of the $S_N2$ reaction, intrinsic and thermodynamic, are discussed in connection with the predictive power of various rate-equilibrium relationships. It has been shown that the PES models can only give correct predictions of changes in structure and energy of the transition state if the activation barrier is dictated by the thermodynamic factor. We concluded that the identity and dissociative $S_N2$ reactions are dominated by the intrinsic component while associative $S_N2$ reactions are predominantly of thermodynamic controlled. Thus in the former cases, the PES models fail, whereas in the latter cases predictions based on the intrinsic factor, the quantum mechanical models, fail. Finally in a general case of equal contributions by thermodynamic and intrinsic factors, the $SN_2$ reaction proceeds by a synchronous process with zero net charge on the reaction center, for which predictions of substituent effects will be the same as for the intrinsic control case.

• 대기
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• 제25권2호
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• pp.249-260
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• 2015

The changes in thermodynamic and dynamic aspects on near (2025~2049) and long-term (2075~2099) future climate changes between the historical run (1979~2005) and the Representative Concentration Pathway (RCP) 4.5 run with 20 coupled models which employed in the phase five of Coupled Model Inter-comparison Project (CMIP5) over East Asia (EA) and the Korean Peninsula are investigated as an extended study for Moon et al. (2014) study noted that the 20 models' multi-model ensemble (MME) and best five models' multi-model ensemble (B5MME) have a different increasing trend of precipitation during the boreal winter and summer, in spite of a similar increasing trend of surface air temperature, especially over the Korean Peninsula. Comparing the MME and B5MME, the dynamic factor (the convergence of mean moisture by anomalous wind) and the thermodynamic factor (the convergence of anomalous moisture by mean wind) in terms of moisture flux convergence are analyzed. As a result, the dynamic factor causes the lower increasing trend of precipitation in B5MME than the MME during the boreal winter and summer over EA. However, over the Korean Peninsula, the dynamic factor causes the lower increasing trend of precipitation in B5MME than the MME during the boreal winter, whereas the thermodynamic factor causes the higher increasing trend of precipitation in B5MME than the MME during the boreal summer. Therefore, it can be noted that the difference between MME and B5MME on the change in precipitation is affected by dynamic (thermodynamic) factor during the boreal winter (summer) over the Korean Peninsula.

• 한국진공학회지
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• 제8권3A호
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• pp.181-186
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• 1999

The diffusion of oxygen atoms on tungsten (110) surface is studied by comparison of experiment results and recent calculations. It has been suggested that the thermodynamic factor which is inversely proportional to be compressibility has strong temperature dependence which may cause non-Arrhenius behavior of diffusion coefficient. Recent experiments, however, indicate effectively no temperature dependence of this factor and support the view that non-Arrhenius behavior originates from the dynamic factor rather than the thermodynamic factor. Discrepancies in coverage dependence of physical quantities between theory and experiment are discussed.

• Journal of Advanced Marine Engineering and Technology
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• 제40권6호
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• pp.476-483
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• 2016

해양온도차발전용 유기랭킨사이클은 해양의 표층수와 심층수사이의 온도차를 이용하여 발전하는 사이클이다. 작동유체는 유기랭킨사이클의 열역학적 성능에 있어 중요한 요소이다. 유기랭킨사이클의 열역학적 분석방법으로 핀치포인트분석이 있다. 본 연구는 열교환기내 핀치포인트온도차의 변화와 열원 및 열침의 출구온도의 변화에 따른 열역학적 성능분석을 수행하였다. 핀치포인트분석법에 따라 설계한 해양온도차발전용 단순랭킨사이클에 7종의 단일 작동유체를 적용하여 열역학적 성능을 분석하였다. 성능분석결과 열교환기에서 핀치포인트온도차와 열원 및 열침의 온도변화가 작을수록 사이클 총 비가역성 및 총 엑서지 파괴인자가 감소하였으며, 제2법칙 효율은 상승하였다. 또한 비가역성은 열역학적 변화가 발생한 곳에서 크게 변화하였다. RE245fa2는 선정한 작동유체 중에서 가장 우수한 열역학적 성능을 보여주었으며, 모든 작동유체의 성능은 유사하였다. 열교환기 및 작동유체 선정에 있어 열역학적 성능과 함께 다양한 요소들에 대해서도 엄밀한 이론적 근거가 필요하다.

• 한국추진공학회지
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• 제26권5호
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• pp.24-34
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• 2022

초임계 영역에서 작동하는 탄화수소 연료를 사용하는 재생냉각채널의 냉각성능을 예측하기 위해서는 타당한 물성 예측이 필수이다. 본 연구는 고분자 탄화수소의 임계 압축인자에 따라 밀도와 비열을 적절하게 예측하기 위해 2-파라미터 상태방정식인 SRK(Soave-Redlich-Kwong) 및 PR(Peng-Robinson) 상태방정식과 이를 합한 3-파라미터 상태방정식인 RK-PR 상태방정식에 대한 비교 분석을 수행하였다. 대표적으로 낮은 임계압축 인자를 갖는 n-dodecane 연료와 높은 임계압축 인자를 갖는 JP-10 연료를 선정하여 두 연료의 열역학적 물성을 예측할 때 적합한 상태방정식을 제시하였다. 마지막으로 밀도와 비열의 예측 결과를 NIST REFPROP 데이터와 비교하여 검증하였다.

• Bulletin of the Korean Chemical Society
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• 제21권1호
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• pp.105-109
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• 2000

High-performance liquid chromatography is suitable for getting thermodynamic information about solute-solvent interactions. We used a squalane impregnated $C_{18}$ phase as a presumably bulk-like stationary phase to secure a simple partition mechanism for solute retention in reversed phase liquid chromatographic system. We measured retention data of some selected solutes (benzene, toluene, ethylbenzene, propylbenzene, butylbenzene, phenol, benzylalcohol, phenethylalcohol, benzylacetone, acetophenone, benzonitrile, benzylcyanide) at 25, 30, 35, 40, 45, and 50 $^{\circ}C$ in 30/70, 40/60, 50/50, 60/40 and 70/30 (v/v%) acetonitrile/water eluents. The van't Hoff plots were nicely linear, thus we calculated dependable thermodynamic values such as enthalpies and entropies of solute transfer from the mobile phase to the stationary phase based on more than four retention measurements on different days (or weeks). We found that the cavity formation effect was the major factor in solute distribution between the mobile and stationary phases in the system studied here. Our data were com-pared with some relevant literature data.

• 전기화학회지
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• 제12권1호
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• pp.1-10
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• 2009

This article reviewed transport behaviours of electroactive species in ionic compounds, focusing on chemical diffusion of Li through the transition metal oxide in a current flowing condition. For this purpose, a distinction has been first briefly made between migration and diffusion with respect to current, driving force and charge of electroactive species considered. Then, the equations for chemical diffusion are derived theoretically in open-circuit and current flowing conditions. Finally, the experimental methods such as ac impedance spectroscopy and current (potential) transient techniques are described in details for characterising chemical diffusion. In addition, the role of the thermodynamic enhancement factor in chemical diffusion is discussed.

• 대한화학회지
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• 제35권4호
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• pp.308-315
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• 1991

단순한 쿨롱액체들의 채심입방정계의 구조와 열역학적 성질들은 일성분 플라즈마에 대한 섭동론으로부터 계산된다. 섭동론(PT)과 Monte Cario(MC) 데이타의 비교는 좋은 일치를 보인다. 강체구 섭동론은 일성분 플라즈마 같은 먼 거리의 인력계에 적절하다. PT와 MC 데이타에 대한 동경 분포함수(g(r))와 구조인자(S(q))의 비교에서 일치를 보인다. 따라서 섭동론은 쿨롱액체의 성질 및 구조를 설명하는데 유용한 방법이다.

• 대한기계학회논문집
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• 제11권3호
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• pp.425-436
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• 1987

본 연구에서는 강제대류가 있는 층류막비등유동을 벽면온도와 주수속도를 변 화시키며 수치해석하여 열전달계수와 유동특성을 구하였고, 열력학적 상태량들을 일정 하다고 가정하는 경우가 열전달계수에 어떠한 영향을 미치는가를 검토한 결과, 열전달 계수는 주수속도에는 큰 영향을 받지 않으나, 벽면온도와 열력학적 상태량의 변화에는 상당히 큰 영향을 받는 것으로 나타나고 있다.

• 한국원자력학회:학술대회논문집
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• 한국원자력학회 1997년도 춘계학술발표회논문집(1)
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• pp.437-443
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• 1997

DYLAM and its related applications are reviewed in detail and found to have many favorable characteristics. Concerning human factor analysis, the study demonstrates that DYLAM methodology represents an appropriate tool to study man-machine behavior provided that DYLAM is used to model machine behavior and an appropriate operator interface human factor model is included. A hybrid model which is a synthesis of the DYLAM model, a system thermodynamic simulation model and a neural network predicative model, is implemented and used to analyze dynamically the CANDU pressurizer system.