본 연구에서는 전하 이동 특성을 가지는 분자[쿠마린(C)-DNP]의 흡수 스펙트럼을 정확하게 예측하기 위해 장거 리 보정 밀도 범함수 이론 (long-range corrected density functional theory, LC-DFT)인 LC-BLYP의 범위 분리 매개변수 (μ)를 여러 가지 피팅 방법을 이용하여 최적화하였다. 기체 상태의 Koopmans 이론을 기반으로 최적화된 μ값은 실험적 흡수 피크에 비해 청색 이동(blue-shift)되는 경향성을, 반대로 용매 환경에서 최적화된 μ값은 과도하게 적색 이동 (red-shift)이 되는 경향성을 보였다. 반면, 실험적 데이터에 맞춰 조정된 μ값은 흡수 스펙트럼의 피크 위치와 세기를 가 장 고정확도로 재현하였으며, 특히 C-DNP와 C-OH 분자에서 나타나는 최대 흡수 피크 에너지의 차이를 잘 예측하였 다. C-DNP의 HOMO와 LUMO 전자 분포는 모든 μ값에서 일정한 모양(shape)을 가지고 있었으며, HOMO에서 LUMO 의 전이는 C에서 DNP로의 분자 내 전하 이동(Intramolecular Charge Transfer, ICT)임을 보였다.

When disposing of spent nuclear fuel, there is a risk of exposure that could exceed the annual allowable dose due to human intrusion after the institutional control period. Therefore, it can be treated with the pyroprocess, but the decontamination factor is not sufficient, and an additional actinide recovery is required because molten waste salt-containing actinide is generated. In the case of reducing the element in the spent molten salt through an electrochemical method using a liquid Bi electrode, it is difficult to separate only the actinide element because the two-element groups are reduced together due to the large concentration difference between the actinide and the rare earth element. Therefore, a process of forming a Bi intermetallic compound using a liquid Bi electrode, which has higher element separation efficiency than a liquid Cd electrode, and physically separating the Bi intermetallic compound using the difference in density of the produced compound has been proposed. For this, it is necessary to understand the properties and density separation of the intermetallic compound to be produced, and experiments were planned and conducted for this purpose. Various metals were added to the molten Bi to form an intermetallic compound, and an analysis device such as SEM was used to determine the intermetallics distribution, composition, and internal structure. As the added metal, Ce is a representative element for lanthanide, and Hf with the most similar intermetallic density, decomposition temperature, and standard reduction potential to U, and U as a substitute element for actinide was adopted. As a result of SEM and EDS analysis, it was confirmed that the separation was made in Bi due to the density difference between the produced intermetallic compounds. A Ce-Bi intermetallic compound was observed in the upper part, Hf at a concentration smaller than the error range was detected, and a Hf-Bi intermetallic compound which containing high concentration of Ce was observed in the lower part. Separation of high-purity Ce seems to be possible in the upper part, and it seems difficult to separate high-purity Hf in the lower part. Therefore, to separate highpurity Hf, an additional process suitable for it seems to be necessary.

We are crystallized to the linear low density polyethylene(LLDPE) particles by a thermally induced phase separation(TIPS). TIPS process based on the phase separation mechanism was performed for the LLDPE system which undergoes liquid-solid phase separation. The linear low density polyethylene particle formation occurred by the nucleation and growth mechanism in the metastable region. Although the growth rates depended on the experimental conditions such as the polymer concentration and temperature, the particles were larger when the polymer concentration was higher or temperature was higher. The particles were observed by SEM. The LLDPE particle size distribution became broader when the polymer concentration was higher.

당근종자의 발아율의 낮음과 발아지정의 문제점을 해결하기 위해서 Danver 126품종을 공시하여 여러가지 prime처리와 density separation 방법을 이용한 결과 다음과 같은 효과를 얻었다. 1. 여러가지 prime처리중 SMP처리(수분함량 90%, 6일간처리)에서 배의 생장이 아주 양호하였고 발아속도 및 발아율이 가장 좋았으며 종자에 피해도 없었다. 2. 무기염처리(0.2M KNO3 ＋0.1M K2 HPO4 )에 서는 배의 생장은 좋았으나 염에 의해 종자가 피해를 입었다. 3. SMP처리(수분함량 90%, 6일간)된 종자를 density separation한 결과 종자의 비중이 낮을수록 배의 생장이 컸으며 발아율 및 발아속도가 빨랐다.