• Bulletin of the Korean Chemical Society
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• 제32권12호
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• pp.4185-4190
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• 2011

The nucleophilic substitution reactions of ethylene phosphorochloridate (1c) with substituted anilines ($XC_6H_4NH_2$) and deuterated anilines ($XC_6H_4ND_2$) are investigated kinetically in acetonitrile at $5.0^{\circ}C$. The anilinolysis rate of 1c involving a cyclic five-membered ring is four thousand times faster than its acyclic counterpart (1a: diethyl chlorophosphate) because of great positive value of the entropy of activation of 1c (${\Delta}S^{\neq}=+30\;cal\;mol^{-1}K^{-1}$ compared to negative value of 1a (${\Delta}S^{\neq}=-45\;cal\;mol^{-1}K^{-1}$) over considerably unfavorable enthalpy of activation of 1c (${\Delta}H^{\neq}=27.7\;kcal\;mol^{-1}$) compared to 1a (${\Delta}H^{\neq}=8.3\;kcal\;mol^{-1}$). Great enthalpy and positive entropy of activation are ascribed to sterically congested transition state (TS) and solvent structure breaking in the TS. The free energy correlations exhibit biphasic concave upwards for substituent X variations in the X-anilines with a break point at X = 3-Me. The deuterium kinetic isotope effects are secondary inverse ($k_H/k_D$ < 1) with the strongly basic anilines and primary normal ($k_H/k_D$ > 1) with the weakly basic anilines and rationalized by the TS variation from a dominant backside attack to a dominant frontside attack, respectively. A concerted $S_N2$ mechanism is proposed and the primary normal deuterium kinetic isotope effects are substantiated by a hydrogen bonded, four-center-type TS.

• 한국전기전자재료학회논문지
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• 제15권1호
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• pp.67-74
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• 2002

A phosphor for Plasma Display Panel, BaMgAl$_{10}$ O$_{17}$ :Eu$^{2+}$, showing a blue emission band at about 450nm was prepared by a solid-state reaction using BaCO$_3$, $Al_2$O$_3$, MgO, Eu$_2$O$_3$ as starting materials wish flux AlF$_3$. The study of the behaviour of Eu in BAM phosphor was carried out by the photoluminescence spectra and the Rietveld method with X-ray and neutron powder diffraction data to refine the structural parameters such as lattice constants, the valence state of Eu, the preferential site of Mg atom and the site fraction of each atom. The phenomenon of the concentration quenching was abound 2.25~2.3wt% of Eu due to a decrease in the critical distance for energy transfer of inter-atomic Eu. Through the combined Rietveld refinement, R-factor, R$_{wp}$, was 8.11%, and the occupancy of Eu and Mg was 0.0882 and 0.526 at critical concentration. The critical distance of Eu$^{2+}$ in BAM was 18.8$\AA$ at 2.25% Eu of the concentration quenching. Furthermore, c/a ratio was decreased to 3.0wt% and no more change was observed over that concentration. The maximum entropy electron density was found that the modeling of $\beta$-alumina structure in BaMgAl$_{10}$ O$_{17}$ :Eu$^{2+}$correct coincided showing Ba, Eu, O atoms of z= 1/4 mirror plane.e.ane.e.

• 대한화학회지
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• 제35권4호
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• pp.343-349
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• 1991

CHCl$_3$, CHCl$_3$ : CH$_2$Cl$_2$(1:1) 및 CH$_2$Cl$_2$ 용매 중에서 치환 aniline[aniline, N,N-dimethylaniline(N,N-DMA), 2,6-dimethylaniline(2,6-DMA) 및 2,4,6-trimethylaniline(2,4,6-TMA)]과 iodine간의 charge transfer complex 형성에 대하여 전도도법을 이용하여 속도론적으로 조사하였다. 초기에 일시적으로 생성된 outer charge transfer complex가 inner complex로 변환되는 과정에 있어서 치환 aniline의 electron donor 및 polar medium으로서의 작용에 대하여 고찰해 보았다. 또한 변환의 빠르기는 medium의 dielectric environment와 치환 aniline의 pK$_a$값에 의존하였으며 2,4,6-TMA, 2,6-DMA, aniline, N,N-DMA의 순서로 증가하였다. Chloroform 용매 중에서 2.5M 농도의 치환 aniline에 대해서 얻은 ${\Delta}H^{\neq}$값은 N,N-DMA, 3.47kcal/mol:aniline, 4.25kcal/mol:2,6-DMA, 7.79kcal/mol:2,4,6-TMA, 7.96kcal/mol:${\Delta}S^{\neq}$값은 모든 aniline에 있어서 -41~-55cal/mol${\cdot}$K의 큰 음의 값을 나타내었다.

• Journal of Forest and Environmental Science
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• 제31권3호
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• pp.207-213
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• 2015

It is estimated that there is a total of approximately 100,000 species in Korea. However, the number is currently about 30,000 and only 16,027 species are listed in the 'Species Korea' (as of December, 2014). Of the listed species, 51 species are designated as the Endangered Species Class I while 195 species are in the Class II, totaling 246 endangered species including 20 mammals. Under the circumstances that development (e.g., roads) is increasingly threatening the persistence of endangered mammals, it is significant to identify and preserve suitable habitats for them. In this context, evaluating the values of the suitable habitat environment would serve as essential information for development decision making. This study estimated the values of endangered mammals' forest habitats through spatialization of habitat services. In doing so, a species distribution model, Maximum Entropy Model (MaxEnt) was utilized for a group of endangered mammals including, mountain goat, wildcat, marten cat, and flying squirrel. To calculate the values per unit area, a benefit transfer method was used based on the point-estimate technique with the best available values estimated previously. The range of discount rate of 3.0 to 5.5 percent was applied taking the notion of social discount rate into account. As a result, the province with the highest values for endangered mammal habitats appeared to be Gangwon, followed by Gyeongbuk and Gyeongnam. The monetary values of the endangered mammal habitats were estimated to be 330 billion to 421 billion won per year.

• BMB Reports
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• 제45권8호
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• pp.476-481
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• 2012

Flavodoxin (Fld) has been demonstrated to bind to ferredoxin-NADP$^+$ reductase A (FprA) in Pseudomonas putida. Two residues ($Phe^{256}$, $Lys^{259}$) of FprA are likely to be important for interacting with Fld based on homology modeling. Site-directed mutagenesis and pH-dependent enzyme kinetics were performed to further examine the role of these residues. The catalytic efficiencies of FprA-$Ala^{259}$ and FprA-$Asp^{259}$ proteins were two-fold lower than those of the wild-type FprA. Homology modeling also strongly suggested that these two residues are important for electron transfer. Thermodynamic properties such as entropy, enthalpy, and heat capacity changes of FprA-$Ala^{259}$ and FprA-$Asp^{259}$ were examined by isothermal titration calorimetry. We demonstrated, for the first time, that $Phe^{256}$ and $Lys^{259}$ are critical residues for the interaction between FprA and Fld. Van der Waals interactions and hydrogen bonding were also more important than ionic interactions for forming the FprA-Fld complex.

• 디자인학연구
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• 제17권2호
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• pp.67-76
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• 2004

소비의 주체성이 생산과 구조적 측면보다 쾌적함, 온유함, 유머 등의 디자인 제2차 적 가치의 현상으로 전의 되고 있으며 이와 같은 잉여성과 관련된 개념들은 디자인에서뿐만 아니라 최근 과학에서도 공간과 물질, 동일성과 중력 둥과 같은 개념이 사라지고 불확정성, 개연성, 모순, 애매모호함, 엔트로피 등과 같은 개념들로 대체되고 있다. 따라서 디자인과 관련된 인접학문의 지적동향과 주된 관심사의 탐구과정을 통하여 아이디어 전개에 필요한 그림과 이미지들의 변형과 조작 등 디자인의 제2차 적 가치와 잉여적 가치에 관련이 깊고 실제 아이디어 전개의 확장성과 다의성에 관련된 개념과 변형과 조작의 제4열 사고생성체계를 제시하고 자 한다.

• Journal of Advanced Marine Engineering and Technology
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• 제25권6호
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• pp.1260-1271
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• 2001

The simulation program which predicts the gas behavior in a spark ignition engine has been developed and verified by the comparison with the experimental results foy the MPI engine, naturally aspirated and turbochared engines with a carburettor. First paper describes the calculations of the behavior of gas in the intake and exhaust system. The generalized method of characteristics including friction, heat transfer, area change and entropy gradients was used to analyse the pipe flow The constant-Pressure model was applied for the analysis of the flow through engine valved, and the constant-pressure perfect-mixing model was applied for the flow at manifold junction. The concept of the sudden area change was used for the muffler and catalytic convertor. Fer the plenum chamber in an MPI engine, constant-pressure model and constant-volume model were both examined. Through the comparison of predicted results with experiments, the simulation program was verified by showing good prediction of the behavior of IC engine qualitatively and quantitatively under wide range of operating conditions.

• Bulletin of the Korean Chemical Society
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• 제32권9호
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• pp.3355-3360
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• 2011

The nucleophilic substitution reactions of 1,2-phenylene phosphorochloridate (1) with substituted anilines ($XC_6H_4NH_2$) and deuterated anilines ($XC_6H_4ND_2$) are investigated kinetically in acetonitrile at $-15.0^{\circ}C$. The studied substrate of 1,2-phenylene phosphorochloridate is cyclic five-membered ring of phosphorus ester, and the anilinolysis rate of 1 is much faster than its acyclic analogue (4: ethyl phenyl chlorophosphate) because of extremely small magnitude of the entropy of activation of 1 compared to 4. The Hammett and Bronsted plots exhibit biphasic concave upwards for substituent X variations in the nucleophiles with a break point at X = 3-Me. The values of deuterium kinetic isotope effects (DKIEs; $k_H/k_D$) change from secondary inverse ($k_H/k_D$ < 1) with the strongly basic anilines to primary normal ($k_H/k_D$ > 1) with the weakly basic anilines. The secondary inverse with the strongly basic anilines and primary normal DKIEs with the weakly basic anilines are rationalized by the transition state (TS) variation from a predominant backside attack to a predominant frontside attack, in which the reaction mechanism is a concerted $S_N2$ pathway. The primary normal DKIEs are substantiated by a hydrogen bonded, four-center-type TS.

• 한국환경과학회지
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• 제22권9호
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• pp.1161-1170
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• 2013

The efficiency of coal-based activated carbon in removing methylene blue (MB) and phenol from aqueous solution was investigated in batch experiments. The batch adsorption kinetics were described by applying pseudo-first-order, pseudo-second-order, and first order reversible reaction. The results showed that the adsorption of MB and phenol occurs complexed process including external mass transfer and intraparticle diffusion. The maximum adsorption capacity obtained from Langmuir isotherm was 461.0 mg/g for MB and 194.6 mg/g for phenol, respectively. The values of activation parameters such as free energy (${\Delta}G^0$), enthalpy (${\Delta}H^0$), and entropy (${\Delta}S^0$) were also determined as -19.0~-14.9 kJ/mol, 25.4 kJ/mol, and 135.2 J/mol K for MB and 51.8~54.1 kJ/mol, -29.0 kJ/mol, and -76.4 kJ/mol K for phenol, respectively. The MB adsorption was found to be endothermic and spontaneous process. However, the CV adsorption was found to be exothermic and non-spontaneous process.

• 대한기계학회논문집B
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• 제40권3호
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• pp.139-148
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• 2016

터빈과 압축기의 1차 근사 모델을 대상으로 열역학적 해석을 하여 단열 효율의 특성을 파악하였다. 비단열 터빈과 압축기에 대해서는 엔트로피 평균 온도와 생성 엔트로피, 열원 온도, 열전달량 등의 값에 따라 단열 효율이 1보다 커질 수 있다. 즉, 단열 효율을 비단열 검사체적에 적용하면 실제보다 성능을 높게 평가하는 오류가 생길 수 있다. 이 문제를 해결하는 대안으로 실제 과정과 동일한 열이 전달되는 가역 비단열 과정을 이상 과정으로 채택하여 정의하는 비단열 효율을 제안한다. 이 비단열 효율은 항상 0과 1 사이에 있으며, 대부분의 경우 엑서지 효율보다 작음을 입증하였다. 비단열 효율은 단열 효율을 포함하는 더 일반적인 효율의 정의식으로 사용할 수 있다.