컴퓨터 시스템의 성능 및 다양한 전산모사 프로그램의 발전으로 더 복잡한 원소로 이루어진 화학시스템의 해석이 가능해지고, 그에 따라 분자동역학 전사모사를 활용한 연구가 활발히 이루어지고 있다. 특히, 기존에는 실험위주로 진행되던 고분자 막에 대한 기체 투과 특성을 계산하는 연구가 관심을 받고 있고, 식품포장, 의약품등에 사용되고 있는 기체차단성 막 에 대한 분자동역학 연구가 많이 이루어지고 있다. 최근 실크 피브로인을 이용해 코팅막을 만들었을 때 기체 차단 효과가 나 타난다는 보고가 있었고, 본 연구에서는 이러한 실크 피브로인을 활용해 복합막을 만들었을 때 산소 차단 효과가 나타나는지 확인하고자 분자동역학 전산모사를 이용해 연구를 진행하였다. 단일 모델을 제작하고 기체 투과 특성을 계산하고 실험값과 비교를 통해 모델이 실제 실험 결과를 반영하는 것을 확인하였고, 실제 복합막 모델을 만들어 고분자 내에서 기체 이동경로 분석을 진행한 결과 산소 분자가 피브로인 영역을 통과하지 못하고 막히는 것을 보여주었다. 따라서, 실크 피브로인이 도입된 복합막이 산소 차단 성능이 우수하여, 식품포장 등에 유용할 것으로 기대된다.

The WRK (Waste Repository Korea bentonite) compacted bentonite medium has been considered as the appropriate buffer material in the Korean SNF (Spent nuclear fuel) repository site. In this study, hydraulic properties of the WRK compacted bentonite core (4.5 cm in diameter and 1.0 cm in length) as the buffer material were investigated in laboratory experiments. The porosity and the entry pressure of the water saturated core at different confining pressure conditions were measured. The average velocity of water flow in the WRK compacted bentonite core was calculated from results of the breakthrough curves of the CsI aqueous solution and the hydraulic conductivity of the core was also calculated from the continuous flow core experiments. Because various gases could be generated by continuous SNF fission, container corrosion and biochemical reactions in the repository site, the gas migration property in the WRK compacted bentonite core was also investigated in experiments. The gas permeability and the average of gas (H2) in the core at different water saturation conditions were measured. Laboratory experiments with the WRK Compacted bentonite core were performed under conditions simulating the DGR environment (confining pressure: 1.5- 20.0 MPa, injection pressure: 1.0-5.0 MPa, water saturation: 0-100%). The WRK Compacted bentonite core was saturated at various confining pressure conditions and the porosity ranged from 27.5% to 43.75% (average: 36.75%). The calculated hydraulic conductivity (K) of the core using experimental results was 8.69×10-11 cm/s. The gas permeability of the core when the water saturation 0~58 % was ranged of 19.81~3.43×10-16 m2, representing that the gas migration in the buffer depends directly on the water saturation degree of the buffer medium. The average gas velocity in the core at 58% of water saturation was 9.8×10-6 m/s, suggesting that the gas could migrate fast through the buffer medium in the SNF repository site. Identification of the hydraulic property for the buffer medium, acquired through these experimental measurements is very rare and is considered to have high academic values. Experimental results from this study were used as input parameter values for the numerical modeling to simulate the long-term gas migration in the buffer zone and to evaluate the feasibility of the buffer material, controlling the radionuclide-gas migration in the SNF repository site.

This study focused on improving the phase stability and mechanical properties of yttria-stabilized zirconia (YSZ), commonly utilized in gas turbine engine thermal barrier coatings, by incorporating Gd2O3, Er2O3, and TiO2. The addition of 3-valent rare earth elements to YSZ can reduce thermal conductivity and enhance phase stability while adding the 4-valent element TiO2 can improve phase stability and mechanical properties. Sintered specimens were prepared with hot-press equipment. Phase analysis was conducted with X-ray diffraction (XRD), and mechanical properties were assessed with Vickers hardness equipment. The research results revealed that, except for Z10YGE10T, most compositions predominantly exhibited the t-phase. Increasing the content of 3-valent rare earth oxides resulted in a decrease in the monoclinic phase and an increase in the tetragonal phase. In addition, the t(400) angle decreased while the t(004) angle increased. The addition of 10 mol% of 3-valent rare-earth oxides discarded the t-phase and led to the complete development of the c-phase. Adding 10 mol% TiO2 increased hardness than YSZ.

The engineered barrier system (EBS) is an indispensable element of a deep geological repository (DGR) designed to prevent the discharge of radioactive materials into the environment. The buffer material is a vital component of the EBS by creating a physical and chemical barrier that prevents the migration of radioactive materials. In the disposal environment, gases can be generated from the corrosion of the canister. When the gas generation rate exceeds the diffusion rate, the buffer material’s performance can deteriorate by the physical damage induced by the increase in pore pressure. Therefore, understanding the EBS’s behavior under gas generation conditions is crucial to guarantee the longterm safety and performance of the DGR. Lab-scale and field-scale experiments have been conducted to examine the stability of the buffer material concerning gas generation and movement by the previous researchers. To evaluate long-term stability for more than 100,000 years, it is essential to assess stability using a numerical model verified by these experiments. This study investigated the effect of interfacial characteristics on the numerical modeling accuracy of experimental simulation while verifying a numerical model through field-scale experimental results. The findings of this study are expected to furnish fundamental data for establishing numerical analysis guidelines for the longterm stability assessment of disposal systems.

Rare-earth zirconates, such as lanthanum zirconates and gadolinium zirconates, have been intensively investigated due to their excellent properties of low thermal conductivity as well as chemical stability at high temperature, which can make these materials ones of the most promising candidates for next-generation thermal barrier coating applications. In this study, three compositions, lanthanum/gadolinium zirconates with reduced rare-earth contents from stoichiometric RE2Zr2O7 compositions, are fabricated via solid state reaction as well as sintering at 1600oC for 4 hrs. The phase formation, microstructure, and thermo-physical properties of three oxide ceramics are examined. In particular, each oxide ceramics exhibits composite structures between pyrochlore and fluorite phases. The potential of lanthanum/ gadolinium zirconate ceramics for TBC applications is also discussed.

In this study, we present a facile method of fabricating graphene oxide (GO) filmson the surface of polyimide (PI) via layer-by-layer (LBL) assembly of charged GO. The positively charged amino-phenyl functionalized GO (APGO) is alternatively complexed with the nega-tively charged GO through an electrostatic LBL assembly process. Furthermore, we investi-gated the water vapor transmission rate and oxygen transmission rate of the prepared (reduced GO [rGO]/rAPGO)10 deposited PI film(rGO/rAPGO/PI) and pure PI film.The water vapor transmission rate of the GO and APGO-coated PI composite filmwas increased due to the intrinsically hydrophilic property of the charged composite films.However, the oxygen trans-mission rate was decreased from 220 to 78 cm3/m2·day·atm, due to the barrier effect of the graphene filmson the PI surface. Since the proposed method allows for large-scale production of graphene films, it is considered to have potential for utiliation in various applications.

As operating temperatures of engines or turbines continually increase for higher efficiency, significant amounts of researches have been focused on finding new materials, which would be alternatives to conventional yttria-stabilized zirconia (YSZ) for thermal barrier coatings (TBCs). In this study, phase evolution and thermo-physical properties of pyrochlore systems are investigated for TBC applications. systems are comprised by selecting as A-site ions and as B-site ions in pyrochlore structures. For the developed phases in compositions, thermo-physical properties such as thermal conductivity, thermal expansion coefficient are examined. The potential of these compositions for TBC application is also discussed.

비열살균기술로서 저온플라즈마 활용 가능성을 탐색하고자 유전체장벽 방전 플라즈마(DBDP)생성장치를 제작하여 최적 플라즈마생성 조건을 도출하고 Staphylococcus aureus를 대상으로 살균성능을 조사하였다. DBDP생성장치는 전력공급장치, 변압기, 전극, 시료처리부 등 네 부분으로 구성하였다. 인가전압은 단상 200 V AC를 사용하고, 변압기를 통하여 10.0-50.0 kV로 변환하고 10.0-50.0 kHz의 주파수의 펄스 구형파를 유전체인 세라믹 블록 내에 장치한 전극에 투입함으로써 상압에서 플라즈마를 생성하였다. 주파수를 올림에 따라 높은 전류가 유입되었고, 이에 비례하여 전력소비량이 증가하였다. 전류세기 1.0-2.0 A, 주파수 32.0-35.3 kHz 범위에서 균일하고 안정적인 플라즈마 발생이 이루어졌으며 시료를 투입하지 않은 상태에서의 최적 전극간격은 1.85 mm 이었다. 전극간격을 높임에 따라 소비 전력이 증가하였으나 시료 처리에 적합한 전극간격은 2.65 mm였다. DBDP 처리에 의한 온도상승은 최대 20oC에 불과하여 열에 의한 생물학적 효과는 무시할 수 있었으며 따라서 비열기술임이 확인되었다. Staphylococcus aureus를 대상으로 DBDP 처리할 경우 초기 5분 동안은 살균치가 직선적인 증가를 보이다가 이후 다소 완만해지는 경향을 보였으며 1.25 A에서 10분간 처리 시 살균치는 5.0을 상회하였다.

Thermal barrier systems have been widely investigated over the past decades, in order to enhance reliability and efficiency of gas turbines at higher temperatures. Yttria-stabilized zirconia (YSZ) is one of the most leading materials as the thermal barriers due to its low thermal conductivity, thermodynamic stability, and thermal compatibility with metal substrates. In this work, rare-earth oxides with pyrochlore phases for thermal barrier systems were investigated. Pyrochlore phases were successfully formed via solid-state reactions started from rare-earth oxide powders. For the heat-treated samples, thermo-physical properties were examined. These rare-oxide oxides showed thermal expansion of and thermal conductivity of 1.2~2.4 W/mK, which is comparable with the thermal properties of YSZ.

키토산 필름은 농업, 식품과 제약 분야에서 응용이 가능하다. 그러나 키토산으로만 만들어진 필름은 기체투과성이 높고 기계적 물성에 약하다. 따라서 본 연구에서는 기체 투과성을 낮추고 기계적 물성을 높이기 위해 층상구조를 갖는 점토광물의 일종인 montorillonite (MMT)와 양이온 생체고분자인 키토산을 이용하여 양이온 교환과 수소결합과정을 통해 Na+-MMT에 키토산을 삽입하여 키토산/Clay 나노복합재료를 제조하였다. 키토산/clay 나노 복합재료의 X-ray 회절패턴에서 2θ=7.5º에서 MMT의 basal reflection이 나타났고, 2θ=3~5º 주위에서의 새로운 약하고 넓은 peak로서 더 낮은 각에서 MMT의 basal reflection의 이동에 의해 삽입된 나노 구조의 형성을 증명하였다. 또한 TGA thermogram를 이용하여 clay의 함유량이 증가할수록 제조된 나노복합재료의 열분해가 일어나는 범위의 질량감소가 줄어드는 것을 확인하므로서 내열성을 관찰하였다. 기계적 물성 성질을 측정하여 clay 함유량의 증가에 따른 인장 강도와 인장 모듈러스의 변화를 관찰하고, 키토산이 층상 실리케이트 내에 삽입하여 제조된 나노복합재료에서 clay의 함유량이 증가할수록 질소 투과경로의 tortuosity를 증가시켜서 기체 투과도를 감소시키는 것도 확인하였다.

본 연구에서는 SEBS와 여러 가지의 유기화물로 처리된 MMT (montmorillonite) type의 clay를 이용하여 SEBS-clay 하이브리드 막을 용융삽입법으로 제조하였다. clay의 함량은 5 phr (per hundred resin)로 고정하였다. internal mixer를 사용하여 clay를 SEBS에 분산시켰으며, 제조된 SEBS-clay 하이브리드에서 clay의 특성피크가 완전히 박리되거나 이동하는 XRD 결과로부터 clay의 층간거리가 넓어지는 고분자의 clay 층간삽입을 확인하였다. Clay의 종류에 따라서 제조된 SEBS-clay 하이브리드 막의 가스투과도, 기계적 물성 및 열적 성질을 측정하였다. SEBS-clay 하이브리드 막은 clay 자체의 도입과 층간거리의 확대로 기체분자의 tortuosity를 증가시켜서 가스투과도를 저하시키는 것을 확인하였다.

본 연구에서는 ionomer와 여러 가지의 유기화물로 처리된 MMT type의 clay를 이용하여 ionomer-clay 하이브리드 막을 용융삽입법으로 제조하였다. Twin extruder를 사용하여 clay를 ionomer에 분산시켰으며, 제조된 ionomer-clay 하이브리드에서 clay의 특성피크가 완전히 박리되거나 이동하는 XRD 결과로부터 clay의 층간거리가 넓어지는 고분자의 clay 층간삽입을 확인하였다. Clay의 종류에 따라서 제조된 ionomer-clay 하이브리드 막의 가스투과도, 기계적 물성 및 열적 성질을 측정하였다. ionomer-clay 하이브리드 막은 clay 자체의 도입과 층간거리의 확대로 기체분자의 tortuosity를 증가시켜서 가스투과도를 저하시키는 것을 확인하였다.