• Bulletin of the Korean Chemical Society
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• 제31권7호
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• pp.1875-1880
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• 2010

A dicycle pyrazoline derivative, 1-phenyl-5-(p-fluorophenyl)-3,4-($\alpha$-p-fluoro-tolylenecyclohexano) pyrazoline, was synthesized and characterized by elemental analysis, IR, UV-vis, fluorescence spectra and X-ray single crystal diffraction. Density function theory (DFT) calculations were performed by using B3LYP method with 6-$311G^{**}$ basis set. The optimized geometry can well simulate the molecular structure. Vibrational frequencies were predicted, assigned and compared with the experimental values, which suggest that B3LYP/6-$311G^{**}$ method can well predict the IR spectra. Both the experimental electronic absorption spectra and the predicted ones by B3LYP/6-$311G^{**}$ method reveal three electron-transition bands, with the theoretical ones having some red shifts compared with the experimental data. Natural bond orbital analyses indicate that the absorption bands are mainly derived from the contribution of n $\rightarrow\pi^*$ and $\pi\rightarrow\pi^*$ transitions. Fluorescence spectra determination shows that the title compound can emit blue-light at about 478 nm. On the basis of vibrational analysis, the thermodynamic properties of title compound at different temperature have been calculated, revealing the correlations between $C^0_{p,m}$, $S^0_m$, $H^0_m$ and temperature.

• 대한화학회지
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• 제10권2호
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• pp.91-97
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• 1966

박형석, 안운선과 장세헌이 제안한 액체구조에 관한 천이상태이론을 물에 적용시켜 액체상태에 있는 물의 상태합을 구했다. 이 이론은 액체의 분자가 고체와 같은 자유도, 천이상태의 자유도 및 기체와 같은 자유도를 갖는다는 것이다. 물은 4^{\circ}C$에서 그의 부피가 최소로 되는 등 특유한 성질들을 가졌지만 이 액체이론이 잘 적용된다. 이 이론을 써서 계산한 물의 몰부피, 증가압, 엔트로피, 증발열 및 일정한 압력에서의 비열 그리고 임계점에서의 성질 등은 실측치와의 좋은 일치를 보여준다.

• 한국자동차공학회논문집
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• 제2권1호
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• pp.38-50
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• 1994

To improve the efficiency of internal combustion engines, it is necessary to understand mixed air-fuel in-cylinder flow processes accurately at intake and compression strokes. There is experimental and numerical methods to analyse in-cylinder flow process. In numerical method, standard $k-{\varepsilon}$ model with wall function was mostly adopted in in-cylinder flow process. But this type model was not efficiently predicted in the near wall region. Therefore in the present study, low Reynolds number $k-{\varepsilon}$ model was adopted near the cylinder wall and standard $k-{\varepsilon}$ model in other region. Also QUICK scheme was used for convective difference scheme. This study takes axisymmetric reciprocating model engine motored at 200rpm with a centrally located valve, incorporated 60 degree seat angie, and flat piston surface excluding inlet port. Because in-cylinder flow processes are undergoing unsteady and compressible, averaged cylinder pressure and inlet velocity at arbitrary crank angle are determined from thermodynamic analytic method and incylinder states at that crank angle are iteratively determined from the numerical analytic method.

• 한국안전학회지
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• 제13권4호
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• pp.142-154
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• 1998

A stirling engine is a mechanism used to convert heat to power and operates on a closed regenerative thermodynamic cycle with compression and expansion of the working fluid at different temperature. The performance of a stilting cycle machine is a function of six independent parameters, namely; (1) speed N(r.p.m), (2) pressure of the working fluid p(Pa), (3) ratio of the temperature in the compression and expansion space ${\tau}(=T_C/T_E)$ , (4) ratio of the swept volumes in these two spaces K, (5) phase angle $\alpha$ and (6) dead volume ratio X. This paper describes the procedure and presents the results of computations carried out to establish the optimum combinations of these six parameters for maximum engine output for the machine acting as a prime mover, over a combined temperature range from $300^{\circ}K$ to $1000^{\circ}K$ and dead volume ratio X ranging from 0.1 to 2.0. The output of a stilting cycle machine can be expressed in terms of nondimensional power in several different ways. Four methods were studied in detail, the parameters optimized and design charts and engine power charts prepared. The results of this paper may be useful as a guide to the likely effects on the performance of some of the important design parameters and regenerator design.

• 한국결정성장학회:학술대회논문집
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• 한국결정성장학회 1998년도 PROCEEDINGS OF THE 14TH KACG TECHNICAL MEETING AND THE 5TH KOREA-JAPAN EMGS (ELECTRONIC MATERIALS GROWTH SYMPOSIUM)
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• pp.149-156
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• 1998

In this work, aiming at improvement of growth processes for the bulk GaAs single crystals, efforts have been made first in investigate thermodynamic properties of the Ga and As system and second to suggest that bulk GaAs crystals could be grown in principle with the single temperature zone only by determining the excess arsenic charge as a function of growth conditions. During crystal growth, this will be evaporized inside the growth chamber to induce the required inner pressure, instead of aesenic vapor pressure in the double temperature zone method, so as to be in equilibrium with the method, growth experiments have been prepared and carried out for dopes and undoped GaAs crystals with the newly built Bridgman system which was designed according to this principle. To compare the results to those of the double temperature zone method, the same numbers of GaAs crystals have been grown with both processes and all of them were characterized in single crystallinity, lattice defects and electrical properties. Especially, the relationship between growth conditions and crystal quality was discussed from the viewpoint of growth peculiarities with this method.

• 한국환경과학회지
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• 제13권4호
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• pp.349-357
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• 2004

Emergy is a measure of the processes required to produce something expressed in units of the same energy form. Emergy based indices can provide insights into the thermodynamic efficiency of the process, the quality of its output, and the interaction between the process and its surrounding environment. However, in an industrial system, the inputs are mostly nonrenewable, renewable energy source is nearly zero, ultimate purpose is pursuit of profits in economic activity. In study, we present two indices based on emergy - EEE(Ecological Economic Efficiency) and ERI(Environmental Responsibility Index). The EEE is taken into account real value of product in market economy. The ERI is shown to be a function of the net yield of the economy, its ‘load’ on the environment and ecological economic efficiency. Manufacturing industry of Korea produced the 30% of total GDP in 2001. We applied these indices to manufacturing industry for environmental management and further sustainable industry. As a results, the highest ERI is 0.34 in recycling industries, the lowest ERI is 0.01 in coke, refined petroleum products which is dominated by ELR. The higher ERI, the more friendly to environment. The suggested indices help us understand relative contributions of various alternatives in company's production and consumption activity, and provide a tool of decision-making for the rearrangement of future industries. Furthermore, they contribute to environmental friendly operation and consumption.

• 대한기계학회:학술대회논문집
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• 대한기계학회 2003년도 추계학술대회
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• pp.127-132
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• 2003

A study of high-pressure n-heptane droplet vaporization is conducted with emphasis placed on equilibrium at vapor-liquid interface. General frame of previous rigorous model[1] is retained but tailored for flash equilibrium calculation of vapor-liquid interfacial thermodynamics. The model is based on complete time-dependent conservation equations with a full account of variable properties and vapor-liquid interfacial thermodynamics. The influences of high-pressure phenomena, including ambient gas solubility, thermodynamic non-ideality, and property variation on the droplet evaporation are investigated. The governing equations and associated moving interfacial boundary conditions are solved numerically using a implicit scheme with the preconditioning method and the dual time integration technique. And a parametric study of entire droplet vaporization history as a function of ambient pressure, temperature has been conducted. Some computational results are compared with Sato's experimental data for the validation of calculations. For low ambient temperatures, the droplet lifetime first increases with pressures, then decreases for high pressures. For higher ambient temperatures, the droplet lifetime increase with less amplitude than that of low ambient temperatures, which then decreases with more amplitude than that of low temperatures. The solubility of nitrogen can not be neglected in the high pressure and it becomes higher as the pressure goes up.

• 대한화학회지
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• 제11권4호
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• pp.143-149
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• 1967

액체 구조에 관한 천이상태 이론을 벤젠과 사염화탄소의 이성분 액체 혼합물에 적용시켰다. 각 성분의 상태합으로부터 액체 혼합물계의 상태합을 구하고, 이것으로부터 전체압, 부분압, 몰부파, 혼합엔트로피 및 압축율 등의 열역학적 성질을 여러 온도에서 계산하였다. 계산 결과는 문헌에서 얻은 실험값과 근사적으로 일치함을 발견하였다.

• 한국재료학회지
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• 제23권10호
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• pp.555-561
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• 2013

The hardenability of low-carbon boron steels with different molybdenum and chromium contents was investigated using dilatometry, microstructural observations and secondary ion mass spectroscopy (SIMS), and then discussed in terms of the segregation and precipitation behaviors of boron. The hardenability was quantitatively evaluated by a critical cooling rate obtained from the hardness distribution plotted as a function of cooling rate. It was found that the molybdenum addition was more effective than the chromium addition to increase the hardenability of boron steels, in contrast to boron-free steels. The addition of 0.2 wt.% molybdenum completely suppressed the formation of eutectoid ferrite, even at the slow cooling rate of $0.2^{\circ}C/s$, while the addition of 0.5 wt.% chromium did this at cooling rates above $3^{\circ}C/s$. The SIMS analysis results to observe the boron distribution at the austenite grain boundaries confirmed that the addition of 0.2 wt.% molybdenum effectively increased the hardenability of boron steels, as the boron atoms were significantly segregated to the austenite grain boundaries without the precipitation of borocarbide, thus retarding the austenite-to-ferrite transformation compared to the addition of 0.5 wt.% chromium. On the other hand, the synergistic effect of molybdenum and boron on the hardenability of boron steels could be explained from thermodynamic and kinetic perspectives.

• 대한화학회지
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• 제39권12호
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• pp.896-901
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• 1995

순수 물 및 NaCl의 수용액에서 Sodium Dodecyl Sulfate(SDS)와 Tetraethylene glycol monodode-cyl ether(TGME)의 혼합계면활성제가 $25^{\circ}C$에서 나타내는 임계미셀농도값(CMC$^*$)들을 표면장력계로 측정하였으며, 이들 CMC$^*$값들이 음이온 계면활성제인 SDS의 몰분율 조성(${\alpha}_1$)과 첨과제인 NaCl의 농도에 따라 어떻게 변화하는지를 조사하였다. 유사상태분리모델을 기초로하는 비이상적 혼합비셀모델을 적용함으로써 측정된 CMC$^*$값들로부터 SDS/TGME 혼합계면활성제의 미셀화에 대한 여러가지 열역학적 함수값들을 계산하여 분석하였다.