• Title/Summary/Keyword: chemical states

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H2-MHR PRE-CONCEPTUAL DESIGN SUMMARY FOR HYDROGEN PRODUCTION

  • Richards, Matt;Shenoy, Arkal
    • Nuclear Engineering and Technology
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    • v.39 no.1
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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.

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

  • Choi, Soo Hyong
    • Journal of the Korean Institute of Gas
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    • v.22 no.6
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    • pp.40-43
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    • 2018
  • For pressure safety valves, open failure and close failure are partially dependent on each other. A method is proposed in this work that uses a Markov process model and a Weibull distribution model in order to construct a reliability model for two kinds of failure. A pressure safety valve model is obtained from a known open failure model, an induced close failure model, and a simultaneous failure model that reproduces recently reported inspection results. It is expected that the application of the proposed method can be expanded to quantitative risk assessment of various systems that have partially dependent multiple failure states.

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

  • Park, Jihye;Chang, Hyo Sik
    • Korean Journal of Materials Research
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    • v.30 no.12
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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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    • v.25 no.1
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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+ $f_2$.

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

  • Jeong, Da-Woon;Kim, Doo-In;Kim, Kwang-Ho
    • Journal of the Korean institute of surface engineering
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    • v.44 no.2
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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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    • v.29 no.5
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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
    • Proceedings of the Korean Society of Propulsion Engineers Conference
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    • 2004.03a
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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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Conformational Analyses for Hydrated Oligopeptides by Quantum Chemical Calculation (양자화학적 계산에 의한 올리고펩티드 수화물의 구조분석)

  • Sim, Jae-Ho
    • Journal of the Korea Academia-Industrial cooperation Society
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    • v.19 no.7
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    • pp.95-104
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    • 2018
  • The structures and energies of the anhydrate and hydrate (hydrate rate: h of 1) states of L-alanine (LA) and glycine (G) were calculated by quantum chemical calculations (QCCs) using B3LYP/6-31G(d,p) for four types of conformers (${\beta}$-extended: ${\Phi}/{\Psi}=t-/t+$, $PP_{II}$: g-/t+, $PP_{II}$-like: g-/g+, and ${\alpha}$-helix: g-/g-). In LA and G, which have an imino proton (NH), three conformation types of ${\beta}$-extended, $PP_{II}$-like, and ${\alpha}$-helix were obtained, and water molecules were inserted mainly between the intra-molecular hydrogen bond of $CO{\cdots}HN$ in $PP_{II}$-like and ${\alpha}$-helix, and attached to the CO group in ${\beta}$-extended. In LA and G, $PP_{II}$-like conformers were most stable in the anhydrate and hydrate states, and the result for LA was different from some experimental and theoretical results from other studies reporting that the main stable conformation of alanine oligopeptide was $PP_{II}$. The formation pattern and stability of the conformation of the oligopeptide was strongly dominated by the presence/absence of intra-molecular hydrogen bonding of $CO{\cdots}HN$, or the presence/absence of an $NH_2$ group in the starting amino acid.

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

  • Chul Hyun Yo;Kwang Sun Ryu;Mu Sil Pyun;Sung Joo Lee;Joong Gill Choi
    • Journal of the Korean Chemical Society
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    • v.35 no.2
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    • pp.99-104
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    • 1991
  • Nonstoichiometric solid solutions of Sr$_{1+x}Er _{1-x} FeO _{4-y}$ system (x = 0.00, 0.25, 0.50, 0.75 and 1.00) with layered $K_2NiF_4$ type structure were prepared at 1350$^{\circ}$C under atmospheric pressure. By the analysis of X-ray diffraction, the crystallographic structures of the solid solution of all compositions were found to be pseudo-tetragonal system. Nonstoichiometric chemical formulas have been determined by Mohr salt analysis. It shows that the amount of Fe$^{4+}$ increases with increasing x up to 0.50 and then decreases, and the value of oxygen nonstoichiometry increases with increasing x value. Mixed valency states of Fe$^{3+}$ and Fe$^{4+}$ in the sample were identified again by Mossbauer spectroscopic analysis at 298 K. Electrical conductivity varied within the semiconductivity range of 10-2 ∼ 10-7(${\Omega}$-1cm-1), activation energy for electrical conduction decreased with the increment of the mole ratio of Fe$^{4+}$ or ${\tau}$ value. The conduction mechanism could be explained by the hopping model of the conduction electrons between the valency states of Fe$^{3+}$ and Fe$^{4+}$.

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

  • Jun-Hyeok Jo;Jun-Young Seo;Ju-Hee Lee;Ju-Yeong Park;Hyun-Yong Lee
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.37 no.1
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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.