• 제목/요약/키워드: chemical states

검색결과 850건 처리시간 0.045초

H2-MHR PRE-CONCEPTUAL DESIGN SUMMARY FOR HYDROGEN PRODUCTION

  • Richards, Matt;Shenoy, Arkal
    • Nuclear Engineering and Technology
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    • 제39권1호
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    • pp.1-8
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    • 2007
  • Hydrogen and electricity are expected to dominate the world energy system in the long term. The world currently consumes about 50 million metric tons of hydrogen per year, with the bulk of it being consumed by the chemical and refining industries. The demand for hydrogen is expected to increase, especially if the U.S. and other countries shift their energy usage towards a hydrogen economy, with hydrogen consumed as an energy commodity by the transportation, residential and commercial sectors. However, there is strong motivation to not use fossil fuels in the future as a feedstock for hydrogen production, because the greenhouse gas carbon dioxide is a byproduct and fossil fuel prices are expected to increase significantly. An advanced reactor technology receiving considerable international interest for both electricity and hydrogen production, is the modular helium reactor (MHR), which is a passively safe concept that has evolved from earlier high-temperature gas-cooled reactor (HTGR) designs. For hydrogen production, this concept is referred to as the H2-MHR. Two different hydrogen production technologies are being investigated for the H2-MHR; an advanced sulfur-iodine (SI) thermochemical water splitting process and high-temperature electrolysis (HTE). This paper describes pre-conceptual design descriptions and economic evaluations of full-scale, nth-of-a-kind SI-Based and HTE-Based H2-MHR plants. Hydrogen production costs for both types of plants are estimated to be approximately $2 per kilogram.

압력안전밸브의 부분적 종속 이중 고장상태 모델링 (Modeling Partially Dependent Double Failure States of Pressure Safety Valves)

  • 최수형
    • 한국가스학회지
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    • 제22권6호
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    • pp.40-43
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    • 2018
  • 압력안전밸브의 열림고장과 닫힘고장은 서로 부분적으로 종속되어있다. 본 연구에서는 마르코프 프로세스 모델과 Weibull 분포 모델을 이용하여 두 가지 고장에 대한 신뢰성 모델을 구축하는 방법을 제안한다. 압력안전 밸브 모델은 알려진 열림고장 모델, 유도된 닫힘고장 모델, 최근 보고된 점검결과를 재현하는 동시고장 모델로부터 얻어진다. 제안된 방법은 부분적으로 종속된 다중 고장상태를 갖는 다양한 시스템의 정량적 위험성 평가로 확대 적용할 수 있을 것으로 기대된다.

실리콘 전하선택접합 태양전지 적용을 위한 원자층 증착법으로 증착된 VOx 박막의 특성 (Characteristics of Vanadium Oxide Grown by Atomic Layer Deposition for Hole Carrier Selective Contacts Si Solar Cells)

  • 박지혜;장효식
    • 한국재료학회지
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    • 제30권12호
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    • pp.660-665
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    • 2020
  • Silicon heterojunction solar cells can achieve high conversion efficiency with a simple structure. In this study, we investigate the passivation characteristics of VOx thin films as a hole-selective contact layer using ALD (atomic layer deposition). Passivation characteristics improve with iVoc (implied open-circuit voltage) of 662 mV and minority carrier lifetime of 73.9 µs after post-deposition annealing (PDA) at 100 ℃. The improved values are mainly attributed to a decrease in carbon during the VOx thin film process after PDA. However, once it is annealed at temperatures above 250 ℃ the properties are rapidly degraded. X-ray photoelectron spectroscopy is used to analyze the chemical states of the VOx thin film. As the annealing temperature increases, it shows more formation of SiOx at the interface increases. The ratio of V5+ to V4+, which is the oxidation states of vanadium oxide thin films, are 6:4 for both as-deposition and annealing at 100 ℃, and 5:5 for annealing at 300 ℃. The lower the carbon content of the ALD VOx film and the higher the V5+ ratio, the better the passivation characteristics.

Electronic Structure of Ce-doped ZrO2 Film: Study of DFT Calculation and Photoelectron Spectroscopy

  • Jeong, Kwang Sik;Song, Jinho;Lim, Donghyuck;Kim, Hyungsub;Cho, Mann-Ho
    • Applied Science and Convergence Technology
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    • 제25권1호
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    • pp.19-24
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    • 2016
  • In this study, we evaluated the change of electronic structure during redox process in cerium-doped $ZrO_2$ grown by sol gel method. By sol-gel method, we could obtain cerium-doped $ZrO_2$ in high oxygen partial pressure and low temperature. After post annealing process in nitrogen ambient, the film is deoxidized. We used spectroscopic and theoretical methods to analysis change of electronic structure. X-ray absorption spectroscopy (XAS) for O K1-edge and Density Functional Theory (DFT) calculation using VASP code were performed to verify the electronic structure of the film. Also, high resolution x-ray photoelectron spectroscopy (HRXPS) for Ce 3d was carried out to confirm chemical bond of cerium doped $ZrO_2$. Through the investigation of the electronic structure, we verified as followings. (1) During reduction process, binding energy of oxygen is increase. Simultaneously, oxidation state of cerium was change to 4+ to 3+. (2) Cerium 4+ and cerium 3+ states were generated at different energy level. (3) Absorption states in O K edge were mainly originated by Ce 4+ $f_0$ and Ce 3+, while occupied states in valance band were mainly originated from Ce 4+ $f_2$.

기판 바이어스 DC 전원의 종류와 반응가스 분압비가 3성분계 B-C-N 코팅막의 합성과 마찰 특성에 미치는 영향 (Effects of DC Substrate Bias Power Sources and Reactant Gas Ratio on Synthesis and Tribological Properties of Ternary B-C-N Coatings)

  • 정다운;김두인;김광호
    • 한국표면공학회지
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    • 제44권2호
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    • pp.60-67
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    • 2011
  • Ternary B-C-N coatings were deposited on Si(100) wafer substrate from $B_4C$ target by RF magnetron sputtering technique in $Ar+N_2+CH_4$ gas mixture. In this work, the effect of reactant gas ratio, $CH_4/(N_2+CH_4)$ on the composition, kinds and amounts of bonding states comprising B-C-N coatings were investigated using two different bias power sources of continuous and unipolar DCs. In addition, the tribological properties of coatings were studied with the composition and bonding state of coating. It was found that the substrate bias power had an effect on chemical composition, and all of the obtained coatings were nearly amorphous. Main bonding states of coatings were revealed from FTIR analyses to be h-BN, C-C, C-N, and B-C. The amount of C-C bonging mainly increased with increase of the reactant gas ratio. From our studies, both C-C and h-BN bonding states improved the tribological properties but B-C one was found to be harmful on those. The best coating from tribological points of view was found to be $BC_{1.9}N_{2.3}$ composition.

Doped Sol-gel TiO2 Films for Biological Applications

  • Gartner, M.;Trapalis, C.;Todorova, N.;Giannakopoulou, T.;Dobrescu, G.;Anastasescu, M.;Osiceanu, P.;Ghita, A.;Enache, M.;Dumitru, L.;Stoica, T.;Zaharescu, M.;Bae, J.Y.;Suh, S.H.
    • Bulletin of the Korean Chemical Society
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    • 제29권5호
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    • pp.1038-1042
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    • 2008
  • Mono and multilayer TiO2(Fe, $PEG_{600}$) films were deposited by the dip-coating on $SiO_2$/glass substrate using sol-gel method. In an attempt to improve the antibacterial properties of doped $TiO_2$ films, the influence of the iron oxides and polyethilenglycol ($PEG_{600}$) on the morphological, optical, surface chemical composition and biological properties of nanostructured layers was studied. Complementary measurements were performed including Spectroscopic Ellipsometry (SE), Scanning Electron Microscopy (SEM) coupled with the fractal analysis, X-Ray Photoelectron Spectroscopy (XPS) and antibacterial tests. It was found that different concentrations of Fe and $PEG_{600}$ added to coating solution strongly influence the porosity and morphology at nanometric scale related to fractal behaviour and the elemental and chemical states of the surfaces as well. The thermal treatment under oxidative atmosphere leads to films densification and oxides phase stabilization. The antibacterial activity of coatings against Escherichia Coli bacteria was examined by specific antibacterial tests.

Effects of Pressure Ratio on Population Inversion in a DF Chemical Laser with Concurrent Lasing

  • Park, Jun-Sung;Baek, Seung-Wook
    • 한국추진공학회:학술대회논문집
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    • 한국추진공학회 2004년도 제22회 춘계학술대회논문집
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    • pp.287-293
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    • 2004
  • A numerical simulation is presented for investigating the effects of pressure ratio of $D_2$ injector to supersonic nozzle on the population inversion in the DF chemical laser cavity, while a lasing concurrently takes place. The laser beam is generated between the mirrors in the cavity and it is important to obtain stronger population inversion and more uniform distribution of the excited molecules in the laser cavity in order to produce high power laser beam with good quality. In this study, these phenomena are investigated by means of analyzing the distributions of the DF excited molecules and the F atom used as an oxidant, while simultaneously estimating the maximum small signal and saturated gains and power in the DF chemical laser cavity. For the numerical solution, an 11-species (including DF molecules in various excited states of energies), 32-step chemistry model is adopted for the chemical reaction of the DF chemical laser system. The results are discussed by comparison with two $D_2$injector pressure cases; 192 torr and 388.64 torr. Major results reveal that in the resonator, stronger population inversions occur in the all transitions except DF(1)-DF(0), when the $D_2$injection pressure is lower. But, the higher $D_2$injection pressure provides a favorable condition for DF(1)-DF(0) transition to generate the higher power laser beam. In other words, as the pressure of $D_2$injector increases, the maximum small signal gain in the $V_{1-0}$ transition, which is in charge of generating most of laser power, becomes higher. Therefore, the total laser beam power becomes higher.r.

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양자화학적 계산에 의한 올리고펩티드 수화물의 구조분석 (Conformational Analyses for Hydrated Oligopeptides by Quantum Chemical Calculation)

  • 심재호
    • 한국산학기술학회논문지
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    • 제19권7호
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    • pp.95-104
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    • 2018
  • 이성질체의 형태는 수용액 상태에서 종종 안정성과 반응성 등의 기본상태 뿐만 아니라 사슬성장 및 접힘 과정으로 인하여 형태형성에 영향을 주기 때문에 올리고펩티드의 형태를 이해하는 것이 중요하다. 본 논문에서는 L-알라닌(LA), 글리신(G) 5량체 모델의 무수 및 수화물(수화율; h/1) 상태의 구조와 에너지를 4가지 형태이성질체 (베타-확장형;= t-/t+, $PP_{II}$형; g-/t+, $PP_{II}$-유사형; g-/g+ 및 알파-나선형; g-/g-)에 대하여 B3LYP/6-31G(d,p)를 이용하여 양자화학계산(QCC) 방법으로 분석하였다. 구조최적화는 밀도함수 이론(DFT)으로써 B3LYP를 사용하였으며, 기본설정(Basic set)으로는 6-31G(d,p)를 이용하였다. 이미노 양성자(NH)를 갖는 LA와 G에서 베타-확장형, $PP_{II}$-유사형, 알파-나선형의 3가지 형태가 얻어졌으며, 대부분 물 분자가 $PP_{II}$-유사형과 알파-나선형에서는 CO-HN 분자 내 수소결합 사이에 주로 삽입되었고, 베타-확장형은 CO기에 부착되었다. 또한, LA와 G에서 $PP_{II}$-유사형 형태이성질체가 무수 및 수화물 상태에서 가장 안정적이었으며, $PP_{II}$ 형태이성질체는 얻어지지 않았다. LA에 대한 결과는 알라닌 올리고펩티드의 안정적인 형태가 주로 $PP_{II}$라고 보고한 다른 연구의 실험적 및 이론적인 결과와는 상이했다. 올리고펩티드 형태이성질체의 생성패턴과 안정성이 CO-HN의 분자 내 수소결합의 존재 여부 또는 출발 아미노산 내 $NH_2$기의 존재 여부에 강한 영향을 받는 것을 알 수 있었다.

혼합원자가 Sr$_{1+x}Er _{1-x} FeO _{4-y}$ 훼라이트계의 비화학양론과 물성연구 (A Study on Nonstoichiometry and Physical Properties of the Mixed Valency Sr$_{1+x}Er _{1-x} FeO _{4-y}$ Ferrite System)

  • 여철현;유광선;편무실;이성주;최중길
    • 대한화학회지
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    • 제35권2호
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    • pp.99-104
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    • 1991
  • $K_2NiF_4$형 층상 구조를 갖는 Sr$_{1+x}Er _{1-x} FeO _{4-y}$계에서 x = 0.00, 0.25, 0.50, 0.75 및 1.00인 비화학양론적 화합물 고용체를 1350$^{\circ}$C 대기압에서 제조하였다. X-선 회절 분석결과로 모든 조성에서 고용체의 결정 구조는 준정방정계(pseudo-tetragonal system)였다. 비화학양론적 조성식은 Mohr염 분석으로 결정하였다. Fe$^{4+}$ 이온의 양은 x값이 0.50까지 증가함에 따라 증가하다가 다시 감소하였고 산소 비화학량은 증가하였다. 도한 시료의 Fe$^{3+}$와 Fe$^{4+}$의 혼합원자가 상태를 298K에서 Mossbauer 분광분석으로 확인할 수 있었다. 전기전도도 측정 결과에 따르면 전기전도도는 반도체 영역인 10-2 ∼ 10-7(${\Omega}$-1cm-1)범위에서 변하였고, 활성화에너지는 Fe$^{4+}$의 몰비인 ${\tau}$값이 증가함에 따라 감소하였다. 전기전도성 메카니즘은 Fe$^{3+}$와 Fe$^{4+}$의 혼합원자가 상태간의 전도성전자 건너뜀 모델로 설명할 수 있다.

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Ge2Sb2Te5/TiN/W-Doped Ge2Sb2Te5 셀 구조의 다중준위 메모리 특성 평가 (Evaluation of Multi-Level Memory Characteristics in Ge2Sb2Te5/TiN/W-Doped Ge2Sb2Te5 Cell Structure)

  • 조준혁;서준영;이주희;박주영;이현용
    • 한국전기전자재료학회논문지
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    • 제37권1호
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    • pp.88-93
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    • 2024
  • To evaluate the possibility as a multi-level memory medium for the Ge2Sb2Te5/TiN/W-doped Ge2Sb2Te5 cell structure, the crystallization rate and stabilization characteristics according to voltage (V)- and current (I)- pulse sweeping were investigated. In the cell structures prepared by a magnetron sputtering system on a p-type Si (100) substrate, the Ge2Sb2Te5 and W-doped Ge2Sb2Te5 thin films were separated by a barrier metal, TiN, and the individual thicknesses were varied, but the total thickness was fixed at 200 nm. All cell structures exhibited relatively stable multi-level states of high-middle-low resistance (HR-MR-LR), which guarantee the reliability of the multilevel phase-change random access memory (PRAM). The amorphousto-multilevel crystallization rate was evaluated from a graph of resistance (R) vs. pulse duration (T) obtained by the nanoscaled pulse sweeping at a fixed applied voltage (12 V). For all structures, the phase-change rates of HR→MR and MR→LR were estimated to be approximately t<20 ns and t<40 ns, respectively, and the states were relatively stable. We believe that the doublestack structure of an appropriate Ge-Sb-Te film separated by barrier metal (TiN) can be optimized for high-speed and stable multilevel PRAM.