최근 여러 연구에서 Hg2+에 선택적으로 반응해 형광을 강화시키거나 소광시키는 thiophene을 기반으로한 probe가 많이 개발되어 왔지만, 이에 따른 분광학적 현상에 대한 정확한 분자적 수준의 이론적 해석이 이루어지지 않 았다. 이에 따라 우리는 Hg2+와 thiophene간 상호작용을 면밀히 분석하기 위해 Hg2+와 thiophene간 거리에 따른 에너 지 포텐셜을 구하였다. Hg2+ 이온에 대한 모든 전자(all electron, AE) basis set인 x2c-TZVPPall와 effective core potential (ECP) 기반인 LANL2DZ는 모두 상대성 효과가 고려된 바닥 상태에서 Hg2+와 thiophene이 결합력이 없이 해 리가 되는 에너지 포텐셜을 보여주었지만, 용매인 물이 고려된 시스템에서는 Hg2+와 thiophene이 결합력을 가지는 것 을 보였으며 이것은 실험적인 결과를 잘 재현하는 것이었다. 따라서 Hg2+ 이온을 포함하는 착화합물 시스템에서 올바 른 에너지 상태를 구하기 위해서는 상대성효과와 더불어 solvent 영향도 잘 고려돼야 함을 알 수 있다.

대기 압력 변동을 측정하는 인프라사운드 관측 기술을 통하여 원거리 지표폭발 사고를 분석하였다. 2019년 12월 24일 전남 광양시에서 발생한 2차례 폭발 사고에서 발생한 인프라사운드 신호가 151-435 km 거리에 위치하는 12개 음파 관측소에 기록되었다. 당시 인프라사운드는 북북서 방향의 성층권 바람에 의해 약 40 km 고도에서 굴절되어 같은 방향에 분포하는 관측소에 도달하였다. 반면, 약 10 km 고도에서는 강한 서풍의 영향으로 대류권 굴절 신호가 북동 및 동쪽 방향에 위치하는 관측소에 도달하는 등 방향에 따라 상이한 전파 경로를 보였다. 대기 유효음파속도구조와 포물선 방정식 모델링을 통해 전파 경로상의 투과손실을 계산하고 폭발 지점으로부터 기준거리에서의 초과압력을 추정하였다. 추정된 초과압력은 초과압력-폭발량 관계식에 적용함으로써, 두 차례의 폭발은 각각 14, 65 kg TNT 폭발 에너지에 상응하는 것으로 계산되었다. 1차 폭발 당시에 폭발 충격으로 부속물이 대기 중으로 비산하는 현상이 관측되었고, 폭발 충격에 의한 파편 운동과 초과압력 간의 관계식으로 1차 폭발의 에너지는 약 49 kg 이하 TNT 폭발에 상응하는 것으로 계산되었다. 본 연구에서 제안한 폭발 에너지 추정 방법은 향후 다양한 원거리 폭발 에너지 계산에 활용이 가능하리라 본다. 향후 계산 결과의 신뢰도를 높이기 위해서는 대기 속도구조 불확실성에 대한 연구와 다양한 발파 자료를 통한 검증 연구가 필요하다.

A new method is proposed for the calculation of the unrelaxed surface energy of spinel ferrite. The surface energy calculation consists of (1) setting the central and computational domains in the semi-infinite real lattice, having a specific surface, and having an infinite real lattice; (2) calculation of the lattice energies produced by the associated portion of each ion in the relative domain; and (3) dividing the difference between the semi-infinite lattice energy and the infinite lattice energy on the exposed surface area in the central domain. The surface energy was found to converge with a slight expansion of the domain in the real lattice. This method is superior to any other so far reported due to its simple concept and reduced computing burden. The unrelaxed surface energies of the (100), (110), and (111) of ZnFe2O4 and Fe3O4 were evaluated by using in the semi-infinite real lattices containing only one surface. For the normal spinel ZnFe2O4, the(100), which consisted of tetrahedral coordinated Zn2+ was electrostatically the most stable surface. But, for the inverses pinel Fe3O4, the(111), which consisted of tetrahedral coordinated Fe3+and octahedral coordinated Fe2+ was electrostatically the most stable surface.

PURPOSES : The objective of this study is to evaluate the early adhesive characteristic of asphalt emulsions, including polymer-modified emulsions, for chip seals using the surface energy concept, the bitumen bond strength (BBS) test, and the Vialit test. METHODS : Two general methods, the BBS test and Vialit test, were applied to investigate the bond strength and the aggregate loss, respectively. A new theory, the surface free energy (SFE) theory, was used to evaluate the adhesive characteristic between the emulsion and the aggregate. Based on the theory, the contact angles were measured, and then the surface energy components were calculated. Using those components, the work of adhesion (Wa) was calculated for each emulsion. To ensure reliable results, all the tests were performed under the same conditions, i.e., at 25 ℃ for 240 minutes of curing time. For the materials, three emulsions (CRS-2, CRS-2L, and CRS-2P) and one aggregate type (granite) were employed. RESULTS AND CONCLUSIONS : Under the same conditions, the modified emulsions showed better adhesive characteristics and curing behaviors than the unmodified emulsions. In addition, there was no significant difference between the various modified emulsions. One of the important findings is that the analysis by Wa presents more sensitive results than other methods. The results of the Wa showed that the CRS-2P emulsion has the best adhesive characteristics. Consequently, the use of modified emulsions for chip seals could prevent aggregate loss and allow open traffic earlier.

A new model and resultant equation for the coagulation of acrylonitrile monomers in precipitation polymerization are suggested in consideration of the surface tension (γ) and cohesive energy density (ECED). The equation was proven to be quite favorable by considering figure fittings from known surface tensions and cohesive energy densities of certain organic solvents. The relationship between scale value of surface tension (γ/M) and cohesive energy density of monomers can be obtained by changing the coagulation bath component for effective precipitation polymerization of acrylonitrile in wet spinning.

Mechanical coating process was applied to form 89 %-hydrolyzed poly vinyl alcohol (PVA) onto boron carbide (B4C) nanopowder using one step high energy ball mill method. The polymer layer coated on the surface of B4C was changed to glass-like phase. The average particle size of core/shell structured B4C/PVA was about 50 nm. The core/shell structured B4C/PVA was formed by dry milling. However, the hydrolyzed PVA of 98~99% with high glass transition temperature (Tg) was rarely coated on the powder. The Tg of polymer materials was one of keys for guest polymer coating on to the host powder by solvent free milling.

Surface fog coating methods to porous pavements with a polymer, that contains MMA as a main ingredient, are being widely used in Japan and called 'Top-Coat Processes'. They have lots of effects such as to prevention of the pavement void choking, improvement of the water permeability of the pavements and so on. The purpose of this research is to show the characterization of the polymer to optimize the functions of the polymer fog-coat methods. This study focused on the difference of 'wetting' by water among polymers used for the fog coatings, and calculation the surface free energy from the water contact angle on each material. At the end, the water permeability test were conducted using porous asphalt mixtures that were coated with several kinds of polymers. The permeability was also measured on the specimens that were forcibly choked by muddy water and the resistance to choking was compared. It is concluded that the reduction of the surface free energy between water and a polymer improves the life of the permeability functions of porous pavements. Improvement of water permeation capacity and void-blocking controlling effects can be quantitatively evaluated using the interfacial tension (γsl) with water for the coating material (high-viscosity asphalt and hardening resin binder). Consequently, the smaller the γsl of the coating material the higher the water permeation capacity and void-blocking controlling effects of the porous asphalt pavements.

The effect of surface free energy on the positive temperature coefficient (PTC) of carbon black/thermoplastic resin composites was investigated. The thermoplastic resins such as EVA, LDPE, LLDPE and HDPE were used with the addition of 30 wt.% of the carbon black. The surface free energy of the composites was studied in the context of two-liquid contact angle measurements, i.e., deionized water and diiodomethane. It was observed that the resistivity on PTC composites Was greatly increased near the crystalline melting temperature, due to the thermal expansion of polymeric matrix. From the experimental results, it was proposed that the decrease of surface free energy induced by interactions between carbon black surfaces and polymer chains is an important factor to the fabrication of a PTC composite made of carbon black and polymeric matrix.