• 한국추진공학회지
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• 제12권3호
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• pp.9-15
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• 2008

고고도 추진 기관으로 개발되고 있는 항공우주연구원의 30톤급 액체 로켓 엔진 노즐 성능의 신뢰성 있는 성능 예측을 위하여 화학적 동결 및 평형 유동 해석을 수행하였다. 해석은 이전의 연구에서 개발된 해석 코드를 보완하여 수행하였다. 비평형 해석이 가장 신뢰할 만한 방법이기는 하지만 수렴특성과 불확실성을 고려할 때 연계된 동결 및 평형 해석이 비용측면에서 효율적인 방법임을 확인 할 수 있었다. 이 해석으로부터 노즐 유동의 팽창 과정에서 나타나는 화학적 재결합 효과에 의한 열 및 운동에너지의 회복 및 점성 효과를 고려한 신뢰성 있는 성능 예측을 할 수 있었다.

• 공업화학
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• 제16권6호
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• pp.749-754
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• 2005

이성분 methanol/3-methyl-1-butanol계에 대하여 정온하 즉 50, 55 60, 65 및 $70^{\circ}C$에서의 기-액평형치를 측정하고, 그 측정치를 이용하여 기-액평형치를 추산하는 추산식을 이끌어 내었다. 측정치와 추산치를 비교 검토한 결과 기상조성의 몰분율은 ${\pm}0.0007$의 오차범위 내에서 잘 일치하고, methanol/3-methyl-1-butanol계에 대한 과잉 몰부피를 측정한 결과 전체 조성범위에서 양의 편차를 나타내며 최대치는 x= 0.683에서 $0.096cm^3/mol$로 나타났다.

• Bulletin of the Korean Chemical Society
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• 제22권1호
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• pp.53-58
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• 2001

Sulfonated poly(phenylene sulfide) (SPPS) polymers were prepared by sulfonation of poly[methyl[4-(phenylthio) phenyl]sulfonium trifluoromethanesulfonate] (PPST) with fumic sulfonic acid (10% $SO_3-H_2SO_4$) and demethylation with aqueous NaOH solution. The equilibrium constants of ion exchange reactions between alkali metal cations ($Li^+,\;Na^+,\;and\;K^+$) and SPPS ion exchanger in organic solvents such as tetrahydrofuran (THF) and dioxane were measured. The equilibrium constants of ion exchange reactions increased as the polarity of the solvent increased, and the reaction temperature decreased. The equilibrium constants of the ion exchange reaction ($K_{eq}$) also increased in the order of $Li^+,\;Na^+,\;and\;K^+$. To elucidate the spontaneity of the exchange reaction in organic solvents, the enthalpy, entropy, and Gibbs free energy were calculated. The enthalpy of reaction ranged from -0.88 to -1.33 kcal/mol, entropy ranged from 1.42 to 4.41 cal/Kmol, and Gibbs free energy ranged from -1.03 to -2.55 kcal/mol. Therefore, the exchange reactions were spontaneous because the Gibbs free energies were negative. The SPPS ion exchanger and alkali metal ion bounding each other produced good ion exchange capability in organic solvents.

• Bulletin of the Korean Chemical Society
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• 제12권3호
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• pp.309-315
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• 1991

The thermal transport coefficients-the self-diffusion coefficient, shear viscosity, and thermal conductivity-of liquid argon at 94.4 K and 1 atm are calculated by non-equilibrium molecular dynamics (NEMD) simulations of a Lennard-Jones potential and compared with those obtained from Green-Kubo relations using equilibrium molecular dynamics (EMD) simulations and with experimental data. The time-correlation functions-the velocity, pressure, and heat flux auto-correlation functions-of liquid argon obtained from the EMD simulations show well-behaved smooth curves which are not oscillating and decaying fast around 1.5 ps. The calculated self-diffusion coefficient from our NEMD simulation is found to be approximately 40% higher than the experimental result. The Lagrange extrapolated shear viscosity is in good agreement with the experimental result and the asymptotic formula of the calculated shear viscosities seems to be an exponential form rather than the square-root form predicted by other NEMD studies of shear viscosity. The agreement for thermal conductivity between the simulation results (NEMD and EMD) and the experimental result is within statistical error. In conclusion, through our NEMD and EMD simulations, the overall agreement is quite good, which means that the Green-Kubo relations and the NEMD algorithms of thermal transport coefficients for simple liquids are valid.

• Environmental Analysis Health and Toxicology
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• 제16권3호
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• pp.133-137
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• 2001

Acetanilide is a High Production Volume Chemical, which is produced about 2,300 tons/year in Korea as of 1998 survey. Most is used as an intermediate for synthesis of pharmaceuticals and dyes and the chemical is one of seven chemicals of which human and environmental risks are being assessed by National Institute of Environmental Research under the frame of OECD SIDS program. The chemical is water soluble (4 g/1 at 20$\^{C}$) and readily biodegradable (68.7％). Partition coefficiency (Log Pow) is 1.16 at 23$\^{C}$ so that the chemical has a low potential for bioaccumulation. The acute toxicities of algae, daphnia and fish are not high. The 72 hr-EｂC50 of algae is 13.5 mg/1,48 hr-EC50 of daphnia is over 100 mg/1 and 96 hr-LC50 of Oryzias latipes is over 100mg/1. Regarding the exposure, levels in air, water, soil or sediment have not been monitored or estimated so that risk evaluation of acetanilide was not possible. In this study, distribution of the chemical among environmental media was estimated using EQC model based on the chemical-physical properties. In Level I and IIof which the chemical are hypothesized in equilibrium and no transfer through the media, more than 98％ of acetanilide are estimated to be distributed in water. However, in Level Ⅲ of which non-equilibrium and intermedia transfer could be occurred, the chemical is estimated to distributed to soil as 51.8％ and water as 47.8％ as of total amount.

• Bulletin of the Korean Chemical Society
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• 제29권7호
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• pp.1409-1411
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• 2008

• 한국가스학회:학술대회논문집
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• 한국가스학회 2002년도 추계학술발표회 논문집
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• pp.171-174
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• 2002

• 한국분말재료학회지
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• 제10권5호
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• pp.305-309
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• 2003

We report on the formation and chemical leaching of non-equilibrium $Al_{0.6}(Fe_{75}Co_{25})$ alloy produced by rod milling. X-ray diffractometry, transmission electron microscopy, differential scanning calorimetry, scanning electron microscopy, and vibrating sample magnetometry were used to characterize the as-milled and leached specimens. After 400 h, only the $Al_{0.4}Fe_{0.6}$ peak of the body-centered cubic type was present in the XRD pattern. The entire rod milling process could be divided into three different stages of milling: agglomeration, disintegration, and homogenization. The saturation magnetization, $M_s$ decreased with increased milling time, the $M_s$ of the powders before milling was about 113.8 emu/g, the $M_s$ after milling for 400 h was about 11.55 emu/g. Leaching of the Al in KOH of the Al at room temperature from the as-milled powders did not induce any significant change in the diffraction pattern. After the leached specimen had been annealed at $600^{\circ}C$ for 1 hour, the nanoscale crystalline phases were transformed into the bcc Fe, cubic Co, and $CoFe_2O_4$ phases. On cooling the specimen from 85$0^{\circ}C$, the degree of magnetization increased slightly, then increased sharply at approximately 364.8$^{\circ}C$, indicating that the bcc $Al_{0.4}Fe_{0.6}$ phase had been transformed to the Fe and Co phases.

• 공업화학
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• 제9권2호
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• pp.311-316
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• 1998

물리 화학적인 특성이 다른 다공성 고분자 마이크로겔에 대한 bovine serum albumin (BSA-protein) 단백질의 흡착평형 특성을 연구하였다. 수용액 속에서 고분자와 단백질사이의 소수성 상호작용에 의하여 폴리부틸메타크릴레이트 (PBMA) 마이크로겔이 폴리비닐피리딘 (PVP)과 폴리아크릴로니트릴 (PAN) 마이크로겔보다 높은 흡착특성을 나타내었으며, PBMA 마이크로겔이 PVP와 PAN 마이크로겔보다 비가역적으로 흡착평형 특성을 나타내었다. 그러므로 고분자 마이크로겔의 물리적인 특성과 단백질-고분자 마이크로겔 사이의 정전기적 인력보다는 소수성 상호작용이 단백질의 흡착특성에 중요한 역할을 하고 있음을 알 수 있다. 또한 PBMA, PVP 및 PAN 마이크로겔 모두 Freundlich 흡착 등온식보다는 Langmuir 흡착 등온식에 잘 적용되었다.

• Bulletin of the Korean Chemical Society
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• 제32권9호
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• pp.3233-3238
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• 2011

The fluorescence of norfloxacin was quenched by various nucleotides. The ratio of the fluorescence intensities in the absence and presence of nucleotide was linearly dependent on nucleotide concentration, suggesting that quenching occurred through the formation of nonfluorescent norfloxacin-nucleotide complexes. The gradient of the linear relationship represented the equilibrium constant of complex formation; it decreased with increasing temperature. The slopes of van't Hoff plots constructed from the temperature-dependent equilibrium constants were positive in all cases, indicating that complex formation was energetically favorable - i.e., exothermic, with negative Gibb's free energy. The equilibrium constant increased when triphosphate was used instead of monophosphate. It also increased when the oxygen at the $C'_2$ position of the nucleotide was removed. Both enhancements were due to entropic effects: entropy decreased when complexes with AMP or GMP formed, while it increased when norfloxacin complexed with ATP, GTP, dAMP and dGMP.