• Journal of the Korean Chemical Society
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• v.59 no.1
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• pp.9-17
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• 2015

The density functional theory (DFT) calculations on $(H_2O)_n@C_{60}$, (n=1-10) complexes have been performed to elucidate hydrogen interaction between fullerene and water clusters. The optimized geometries, harmonic vibrational frequencies, and binding energies are predicted at various levels of theory. The harmonic vibrational frequencies for the molecules considered in this study show all real numbers implying true minima. We also compare the H-bond interaction between $(H_2O)_n$ and $(H_2O)_n@C_{60}$, (n=1-10) clusters.

• Tunnel and Underground Space
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• v.30 no.6
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• pp.559-572
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• 2020

This paper performs laboratory experiments for borehole stability considering temperature and true triaxial stress condition, and observes a thermo-mechanical behavior of the rock under stress and temperature conditions of deep underground. China yellow sandstone and Hwangdeung granite specimens were used to perform a true triaxial compression test. Mechanical tests were carried out under nine confining pressure conditions, and thermo-mechanical tests using granite samples were carried out under six confining pressure conditions at 60-100℃. In the mechanical tests, maximum principal stress at borehole breakout was proportional to intermediate principal stress. In the thermo-mechanical tests, it was confirmed that thermal stress is added to the stress field of the borehole with the increase in temperature, resulting in additional breakout progress. To analyze the results of the laboratory experiment, Mogi-Coulomb failure criterion was used. The results of traditional triaxial compression test on cylindrical specimens and borehole breakout under true triaxial compressions matched well with Mogi-Coulomb failure criterion.

• Proceedings of the Materials Research Society of Korea Conference
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• 2010.05a
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• pp.47.1-47.1
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• 2010

Mg합금은 모든 구조용 재료 중에서 비강도가 크며 가공성이 가장 우수하여 재료의 실제 적용시에 2차 가공비 측면에서 다른 경량재료에 비해 유리하다. 그래서 경량화를 필요로 하는 최근 산업체의 요구를 충족시킬 수 있는 재료이다. 그러나 마그네슘 합금의 적용이 매우 제한되는 이유는 결정구조가 hcp로서 냉간가공이 어렵고, 강화기구가 석출경화 및 고용강화로 제한되기 때문에 기계적 성질, 즉 강도와 연성이 모두 낮다. 특히 고온에서 기계적 성질이 급격히 저하되기 때문에 구조용 재료로써는 사용이 어렵다. 따라서, 본 연구에서는 고온에서 안정한 MgZn상과 항복강도를 향상시키는 Mg4Ag상의 석출을 보이는 Mg-Zn-Mn-Ag합금의 시효거동 및 미세조직 변화에 대해 검토하고자 하였다. 본 합금의 석출거동, 미세조직 및 경도 변화에 미치는 시효처리의 영향에 관한 연구를 수행하기 위해 Pandat Program을 이용해 열역학적 계산을 통한 상태도 해석 및 석출상을 예측 하였다. 계산된 결과는 DSC실험을 통해 비교 분석함으로써 신뢰성을 확보하였고 미세조직 및 석출상 분석을 위해 OM, SEM 그리고 XRD로 관찰하였다. 또한, 시효처리에 따른 기계적 특성을 분석하기 위해 상온 및 고온 인장시험을 하였고, 인장시험 후 파단면 분석을 통하여 재료의 파괴거동을 분석하였다.

• KSBB Journal
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• v.14 no.4
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• pp.465-469
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• 1999

Horseradish peroxidase(HRP) in organic solvent can be reactivated by evaporation. In order to measure the evaporation effect, the enzyme solutions were obtained by evaporation and dilution of organic solvent, respectively. Although two situations were thermodynamically identical, the activity from evaporation was higher than that from dilution. From the UV absorbance and the fluorescence intensity mesurements, it can be explained that reactivation of enzyme activity might be caused by reversible folding, and the enzyme obtained by evaporation was more refolded than that obtained by dilution.

• Proceedings of the Korean Radioactive Waste Society Conference
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• 2003.11a
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• pp.665-670
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• 2003

This study investigated the thermodynamic and the thermal decomposition properties of high concentration nitrate salts waste water for the lagoon sludge treatment. The thermodynamic property was carried out by COACH and GEMINI II based on the composition of nitrate Salts waste water. The thermal decomposition property was carried out by TG-DTA and XRD. Ammonium nitrate and sodium nitrate were decomposed at $250^{\circ}C$$730^{\circ}C$$450^{\circ}C$$Na_2O$ into stable $Na_2O$.$Al_2O_3$. The flow sheet for nitrate salts waste water treatment was proposed based on the these properties data. These will be used by the basic data of the process simulation.

• Proceedings of the Materials Research Society of Korea Conference
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• 2003.11a
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• pp.68-68
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• 2003

SiC는 wide bandgap 물질로서 그 material properties로 인하여, high tmperature, high power, high frequency영역으로의 사용이 기대되는 물질이다. 따라서 SiC에 대한 기본적인 연구와 더불어, 그 소자 제작 및 응용에의 연구가 절실한 시점이다. 이에, SiC 기본적인 소자중 하나인 Schottky diode에 대해 연구하였다. 본 논문은 Schottky contact 물질로써 현재까지 연구가 미비한 Ru을 사용하였다. Ru은 Pt 계열물질로써, 다른 metal에 비하여 열역학적으로 안정하며, 또한 그의 산소 화합물인 RuO2는 다른 oxide에 비하여 전도성 이 높은 장점을 가지고 있다. 따라서 Ru-SiC diode는 이러한 측면에서 연구할 만한 가치가 있다.

• The Journal of the Convergence on Culture Technology
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• v.7 no.2
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• pp.389-394
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• 2021

In this work, we study the properties of molecular structure and boundary orbital functions of the DPHMP-AlH and propiophenone and butyrophenone, which are forms of alkoxy-amine-aluminum derivatives. Furthermore, we investigate the effect on the selective reduction of the final products (R), (S)-phenylpropanol and (R), (S)-phenylbutanol by calculating the stereoscopic and thermodynamic parameters of the transition state. Considering the three-dimensional molecular structural stability, the transition status of (S) types DPHMP-AlH and alkylphenone was found to be more stable, resulting in the selective reductions of DPHM-AlH and alkylphenone from this result: (S)-(1)-phenylpropanol and (S)-(1)-phenylbutanol was confirmed that the formation was advantageous.

• Proceedings of the Korean Institute of Surface Engineering Conference
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• 2018.06a
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• pp.49.2-49.2
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• 2018

스퍼터링에 의해 증착된 박막 내 기계적 응력 발생 현상을 규명하기 위하여 활발한 이론적, 실험적 접근이 있었으나, 복잡한 플라즈마 증착환경 내에서 다양한 증착 파라미터로 인해 정확한 응력 발생 메커니즘에 대해 아직도 완벽한 규명이 되지 않은 상황이다. 본 연구에서는 몰리브데늄 (Mo)과 텅스텐 (W) 박막을 마그네트론 스퍼터링법을 이용하여 증착 시 발생하는 잔류응력 발생 현상에 대해 논의하겠다. Mo 박막의 경우 증착압력을 2.5 mTorr와 4.1 mTorr로 고정시킨 채 기판 바이어스를 0-250 V 간격으로 변화시킨 결과, 2.5 mTorr에서는 기판바이어스가 증가할수록 압축응력이 증가하는 반면 4.1 mTorr에서는 기판바이어스가 증가할수록 인장응력이 증가하는 것이 확인되었다. 이러한 반대 경향의 잔류응력을 발생시키는 기판 바이어스 효과를 확인하기 위하여 증착 파라미터 변경에 따른 박막 성장 거동 모델을 제시한다. W 박막은 준안정상인 ${\beta}$-상이 증착 초기(2.5 nm)에 형성이 되고, 증착 과정에서 열역학적 안정상인 ${\alpha}$-상으로 상변태 하였다. 상변태에 의한 부피 변화에 따른 잔류응력 발생의 분석을 위하여 X-ray 회절피크의 비대칭성을 분석한 결과 압축응력과 인장응력이 공존하고 있는 것으로 확인되었다. 본 연구결과는 스퍼터링 공정 시 높은 에너지를 가지는 중성화된 Ar과 스퍼터된 원자가 기판과 충돌 시 atomic peening effect에 의해 압축응력이 발생한다는 일반적인 이론과 상충되는 결과로서, Mo 및 W 박막 내 잔류응력 제어를 위한 방안을 제시한다.

• Resources Recycling
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• v.27 no.3
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• pp.3-7
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• 2018

Development of extractive metallurgical processes for metal sulfides has become of importance owing to the depletion of oxide ores with rich metal contents. Most of the leaching reactions of metal sulfides is electrochemical reaction and can be classified as $H_2S$, S, and ${SO_4}^{2-}$ evolution type. The acidity of leaching solution and the presence and concentration of an oxidizing agent affect the formation of reaction intermediates containing sulfur. Frost diagram of sulfuroxoanion indicates that the oxoanions with higher oxidation number are more thermodynamically stable in the presence of oxidizing agents.

• Applied Chemistry for Engineering
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• v.8 no.6
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• pp.1041-1047
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• 1997

The influence of $\omega$-phenylalkylammonium salt on the critical micelle concentration (CMC) of SDS has been examined using the electric conductivity method. CMC of SDS exhibited the tendency to decrease with the length of alkyl group of additives. The effect of temperature on CMC of SDS in additive solutions has been observed in the range of $18^{\circ}C-50^{\circ}C$. The free energy(${\Delta}G_m^{\circ}$) for the micellization of SDS is negative and the entropy(${\Delta}S_m^{\circ}$) is a large positive value. The enthalpy(ΔHm0is positive in low temperature($18^{\circ}C$) and negative in high temperature($>25^{\circ}C$). In the prensence of organic additives, the micellization of SDS was considered as a spontaneous process and to involve a phase transition. The values of ΔGm0has shown the tendency to increase but the values of ${\Delta}S_m^{\circ}$ and ${\Delta}H_m^{\circ}$ to decrease with the length of alklyl group of additive salts. The changes in ${\Delta}\kappa$(difference of specific conductivity) with increasing mole ratio of additives in the mixed solutions indicated the formation of mixed micelles between SDS and additives. The effect of the length of alkyl chain on the micellization of SDS demonstrated the penetration of organic additives into the palisade layer of the SDS micelle.