• Title/Summary/Keyword: H adsorption

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Interaction of $HfCl_4$ with Two Hydroxyl's on Si (001) Surface: A First Principles Study ($HfCl_4$와 Si (001) 표면에 결합된 두 개의 수산화기와의 상호작용: 제일원리 연구)

  • Kim, Dae-Hyun;Kim, Dae-Hee;Seo, Hwa-Il;Kim, Yeong-Cheol
    • Journal of the Semiconductor & Display Technology
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    • v.8 no.2
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    • pp.55-58
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    • 2009
  • Density functional theory was used to investigate the adsorption and reaction of $HfCl_4$ with two hydroxyls on Si (001)-$2{\times}1$ surface in atomic layer deposition (ALD) process. We prepared a reasonable Si substrate which consisted of six inter-dimer dissociated $H_2O$ molecules and two intra-dimer dissociated $H_2O$ molecules. The $HfCl_4$must react with two hydroxyls to be a bulk-like structure. When $HfCl_4$ was adsorbed on a hydroxyl, there was energy benefit of -0.55 eV. Though there was energy loss for $HfCl_4$ to react with H of hydroxyl, thermal energy of ALD chamber would be enough to pass the energy barriers. There were five reaction pathways for $HfCl_4$ to react with two hydroxyls; inter-dimer, intra-dimer, cross-dimer, inter-row, and cross-row. Inter-row, inter-dimer and intra-dimer were relatively favorable among the five reaction pathways based on the energy difference. The electron densities between O and Hf in these three reactions were higher than the others and they had shorter Hf-O and O-O bond lengths than the other two reaction pathways.

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Analysis of Effect of Surface Modified Silica Nanofluid Injection on Carbonate Rock (탄산염암 내 표면개질된 실리카 나노유체 주입 효과 분석)

  • Jang, Hochang
    • Journal of the Korean Institute of Gas
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    • v.26 no.2
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    • pp.1-8
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    • 2022
  • The purpose of this study is to prepare GPTMS((3-Glycidoxypropyl) trimethoxysilane)-SiO2 nanofluid and analyze the effect of nanofluid injection on carbonate reservoirs. Structural analysis of silica nanoparticles modified by GPTMS was investigated by FTIR(Fourier transform infrared spectroscopy). C-H stretching vibrations at 2,950 cm-1 indicating the silica surface modification with GPTMS were observed when the silane feed was over 0.5 mmol/g. Also, the coreflooding test by nanofluid injection on the aged limestone and dolomite plug samples was carried out with different particle concentration and flow rate. The incremental oil recovery was up to 18.9%, and contact angle and permeability of carbonate samples were changed by the effect of nanoparticle adsorption on pore which caused wettability alteration and pore size change. Therefore, the prepared nanofluid will be utilized as an injection fluid for enhancing oil recovery and modifying fluid flow properties such as change of rock wettability and permeability in carbonate reservoirs.

Synthesis of Titanate Nanotubes Via A Hydrothermal Method and Their Photocatalytic Activities

  • Kim, Ye Eun;Byun, Mi Yeon;Lee, Kwan-Young;Lee, Man Sig
    • Clean Technology
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    • v.28 no.2
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    • pp.147-154
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    • 2022
  • Titanate nanotubes (TNTs) were synthesized via alkaline hydrothermal treatment using commercial TiO2 nanoparticles (P25). The TNTs were prepared at various TiO2/NaOH ratios, hydrothermal temperatures, and hydrothermal times. The synthesized catalysts were characterized by X-ray diffraction, field-emission scanning electron microscopy, N2 adsorption-desorption isotherms, field-emission transmission electron microscopy, and ultraviolet-visible spectroscopy. TNTs were generated upon a decrease in the TiO2/NaOH ratio due to the dissolution of TiO2 in the alkaline solution and the generation of new Ti-O-Ti bonds to form titanate nanoplates and nanotubes. The hydrothermal treatment temperature and time were important factors for promoting the nucleation and growth of TNTs. The TNT catalyst with the largest surface area (389.32 m2 g-1) was obtained with a TiO2/NaOH ratio of 0.25, a hydrothermal treatment temperature of 130 ℃, and a hydrothermal treatment time of 36 h. Additionally, we investigated the photocatalytic activity of methyl violet 2B (MV) over the TNT catalysts under UV irradiation and found that the degradation efficiencies of the TNTs were higher than that of P25. Among the TNT catalysts, the TNT catalyst that was hydrothermally synthesized for 36 h (TNT 36 h) exhibited a 96.9% degradation efficiency and a degradation rate constant that was 4.8 times higher than P25 due to its large surface area, which allowed for more contact between the MV molecules and TNT surfaces and facilitated rapid electron transfer. Finally, these results were correlated with the specific surface area.

Biohydrogen Generation and Purification Technologies for Carbon Net Zero (탄소중립형 바이오수소 생산 및 분리막기반 정제 기술 소개)

  • Hyo Won Kim
    • Membrane Journal
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    • v.33 no.4
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    • pp.168-180
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    • 2023
  • H2 generation from renewable sources is crucial for ensuring sustainable production of energy. One approach to achieve this goal is biohydrogen production by utilizing renewable resources such as biomass and microorganisms. In contrast to commercial methods, biohydrogen production needs ambient temperature and pressure, thereby requiring less energy and cost. Biohydrogen production can reduce greenhouse gas emissions, particularly the emission of carbon dioxide (CO2). However, it is also associated with significant challenges, including low hydrogen yields, hydrodynamic issues in bioreactors, and the need for H2 separation and purification methods to obtain high-purity H2. Various technologies have been developed for hydrogen separation and purification, including cryogenic distillation, pressure-swing adsorption, absorption, and membrane technology. This review addresses important experimental developments in dense polymeric membranes for biohydrogen purification.

Effect of pH, Saturated Oxygen, and Back-flushing Media in Hybrid Water Treatment of Tubular Ceramic MF and Photocatalyst-loaded PES Beads (관형 세라믹 정밀여과와 광촉매 첨가 PES 구의 혼성수처리에서 pH 및 포화산소, 역세척 매체의 영향)

  • Hong, Sung Taek;Park, Jin Yong
    • Membrane Journal
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    • v.24 no.2
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    • pp.123-135
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    • 2014
  • The effects of pH, saturated oxygen, and back-flushing media were investigated in hybrid process of tubular ceramic microfiltration and $TiO_2$ photocatalyst-loaded PES (polyethersulfone) beads for advanced drinking water treatment, and compared results of water, nitrogen, or oxygen back-flushing in the viewpoints of membrane fouling resistance ($R_f$), permeate flux (J) and total treated water ($V_T$). $R_f$ decreased, and J and $V_T$ increased as decreasing pH. Turbidity treatment efficiencies were similar at water or nitrogen back-flushing independent of pH, but DOM (dissolved organic matter) treatment efficiency did not have a trend at water back-flushing. $R_f$ at NBF (no back-flushing) with SO (saturated oxygen) was the lower than that at NBF without SO. Also, the DOM treatment efficiency at NBF with SO was the lower than that at NBF without SO. It happened because OH radicals produced by reaction of SO and photocatalyst could dilute with water inside the module. The DOM treatment efficiency of gas back-flushing showed the larger than that of water back-flushing at back-flushig period 10 min. It proved that the adsorption or photo-oxidation of PES beads could be activated by the more effective bead-cleaning of gas back-flushing than water back-flushing.

The Application of Octa-Substituted Metallophthalocyanine Langmuir-Blodgett films for $NO_2$ Measurement (수정진동자를 이용한 프탈로시아닌 LB박막의 $NO_2$ 감지 특성)

  • Kwon, H.J.;Lee, Y.J.;Chang, Y.K.;Kim, J.D.
    • Journal of Sensor Science and Technology
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    • v.7 no.4
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    • pp.254-262
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    • 1998
  • Multilayer Langmuir-Blodgett (LB) films coated on quartz crystal microbalance (QCM) of octa-substituted metallophhtalocyanines ($MPc(OEH)_8$, M = Cu, Co, and Sn) and dihydrogen phthalocyanines ($H_2Pc(OEH)_8$) were used to quantify $NO_2$ concentrations. They were exposed to various concentrations of $NO_2$ in dry $N_2$. Among the four phthalocyanines we tested, the metal-free $H_2Pc(OEH)_8$ was observed to be most sensitive to $NO_2$. However, its LB film showed a partially irreversible behavior, that is part of the frequency change due to $NO_2$ adsorption could not be recovered even after purging with pure $N_2$ gas for an extended period. Examining the spectra of NMR and FTIR revealed fact that the irreversible portion of frequency change was due to ether groups in the linkage between side chains and the Pc unit. In order to remove the effect of such initial deactivation, on $NO_2$ quantification experiment, a freshly fabricated LB film was treated at a high concentration of $NO_2$ so that the ether sites were saturated. A pretreated LB film showed a reproducible performance for repeated uses. The $CuPc(OEH)_8$ LB film showed a satisfactory sensing performance down to as low as 4 ppm. For the $H_2Pc(OEH)_8$ LB film, the lower detection limit was found to be 35ppb of $NO_2$. In order to make the experimental condition more realistic, the carrier gas, dry nitrogen, was replaced by air. It was observed that the presence of oxygen, a weak electron acceptor, reduced the sensitivity and thus increased the sensing limit to hundreds of ppb. Results of experiments with moisture added showed that the interference of moisture was quite severe.

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Dyeing Properties and Color of Silk Fabrics Dyed with Safflower Yellow Dye (홍화 황색소 견섬유에 대한 염색성과 색상)

  • Shin, Youn-Sook;Son, Kyung-Hee;Yoo, Dong-Il
    • Journal of the Korean Society of Clothing and Textiles
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    • v.32 no.6
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    • pp.928-934
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    • 2008
  • The objective of this study is to investigate the dyeing properties of safflower yellow dye on silk for the standardization of dyeing process and color reproducibility. Yellow colorants were water-extracted from safflower petals, concentrated, and freeze-dried to obtain colorants powder. The effects of dye concentration, dyeing temperature, and pH of dye bath were studied in terms of dye uptake and shade. Fastness to dry cleaning and light was evaluated. Dye uptake increased with raising temperature and brighter and more vivid yellow shade was obtained when dyed at $30^{\circ}C$. As colorants concentration increased, dye uptake increased progressively and the shade got darker and deeper. Maximum color strength was obtained at pH 3.5. It was speculated that the adsorption of colorants seemed to occur mainly by hydrogen bonding and physical force at pH 5.5 and by ionic bonding as well as hydrogen bonding below isoelectric point(pH 3.8-4.0). The results of reproducibility test showed acceptable color difference in the range of $1.11{\sim}2.01$. Washing fastness was fairly good as 4/5 rating, while light fastness was 2/3 rating.

Dysregulation of Cellular Immune Functions on Gastric Administration to Mixtures of Polyethlene Microplastics and Metallic Lead in Mice (폴리에틸렌 미세플라스틱과 납의 복합노출에 따른 실험동물의 세포면역기능 조절 장애 평가)

  • Gyoungwoo Lee;Changyul Kim
    • Journal of Environmental Health Sciences
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    • v.49 no.1
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    • pp.22-29
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    • 2023
  • Background: The existing research results on the combined toxicity of these pollutants using mammals, such as rodents, are insufficient, especially in relation to changes in the immune system. Objectives: This study aims at evaluating the cellular immune response to PE-MPs solely or when combined with Pb, which possess excellent adsorption capacity with PE-MPs and is commonly co-exposed in our daily lives. Methods: The study investigated the cellular immune function of 9-week ICR mice with 28 days exposure to PE-MPs (2 mg/mouse/day) and Pb (0.1 mM in distilled water) individually and in combination. PE-MPs were administered via gastric intubation while the lead intake was conducted via the oral drinking water route. Cellular immunity was evaluated by analyzing the production for TH1 cytokines namely, TNF-α and IFN-𝛾 and TH2 cytokines, IL-4 and IL-6 in culture supernatants from polyclonally activated splenic mononuclear cells ex vivo. Results: Both the PE-MPs only and the PE-MPs+Pb exposure group revealed an increased TH1 response with elevated TNF-α and IFN-𝛾 levels and downregulated TH2 response with low IL-4, and IL-6 production levels compared to the control group. Furthermore, an increased IFN-𝛾/IL-4 ratio was found in the PE-MPs only and PE-MPs+Pb exposure groups, which indicated the skewedness to TH1 response. Meanwhile, reduced blood hemoglobin levels and increased levels of IL-4, the dominant TH2 cytokine in the Pb-only exposure group, were observed. Conclusions: Our current findings on the predominance of TH1 immune response in the PE-MPs and PE-MPs+Pb groups suggest that PE-MPs could be responsible for the predominant induction of the cellular immune changes. This finding could be used as an important landmark in research related to TH1 predominance, such as autoimmune diseases. It suggests that additional research on immune modulation using longer exposure durations or the same exposure route is required to elucidate stronger findings.

Chloride Threshold Value for Steel Corrosion considering Chemical Properties of Concrete (콘크리트의 화학적 특성을 고려한 철근 부식 임계 염소이온 농도)

  • Song, Ha-Won;Jung, Min-Sun;Ann, Ki Yong;Lee, Chang-Hong
    • KSCE Journal of Civil and Environmental Engineering Research
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    • v.29 no.1A
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    • pp.75-84
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    • 2009
  • The present study assesses the chloride threshold level for corrosion of steel in concrete by examining the properties of four different binders used for blended concrete in terms of chloride binding, buffering of cement matrix to a pH fall and the corrosion behaviour. As binders, ordinary Portland cement (OPC), 30% pulverised fuel ash (PFA), 60% ground granulated blast furnace slag (GGBS) and 10% silica fume (SF) were used in a concrete mix. Testing for chloride binding was carried out using the water extraction method, the buffering of cement matrix was assessed by measuring the resistance to an artificial acidification of nitric acid, and the corrosion rate of steel in mortar with chlorides in cast was measured at 28 days using an anodic polarisation technique. Results show that the chloride binding capacity was much affected by $C_{3}A$ content and physical adsorption, and its order was 60% GGBS>30% PFA>OPC>10% SF. The buffering of cement matrix to a pH fall was varied with binder type and given values of the pH. From the result of corrosion test, it was found that the chloride threshold ranged 1.03, 0.65, 0.45 and 0.98% by weight of cement for OPC, 30% PFA, 60% GGBS and 10% SF respectively, assuming that corrosion starts at the corrosion rate of $0.1-0.2{\mu}A/cm^{2}$. The mole ratio of [$Cl^{-}$]:[$H^{+}$], as a new presentation of the chloride threshold, indicated the value of 0.008-0.009, irrespective of binder, which would be indicative of the inhibitive characteristic of binder.

The Photovoltaic Effect of Iodine-Doped Metal Free Phthalocyanine/ZnO System (Ⅰ) (요오드가 도핑된 무금속 프탈로시아닌/산화아연계의 광기전력 효과(Ⅰ))

  • Heur, Soun-Ok;Kim, Young-Soon;Park, Yoon-Chang
    • Journal of the Korean Chemical Society
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    • v.39 no.3
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    • pp.163-175
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    • 1995
  • Metal free phthalocyanine($H_2Pc$) partially doped with iodine, $H_2Pc(I)x$, has been made to improve photosensitizing efficiency of ZnO/$H_2Pc$. The content of iodine dopant level(x) for $H_2Pc(I)x$ upon $H_2Pc$ polymorphs was characterized as ${\chi}-H_2Pc(I)_{0.92}$ and ${\beta}-H_2Pc(I)_{0.96}$ by elemental analysis. Characterization of iodine-oxidized $H_2Pc$ were investigated by TGA (thermogravimetric analysis), UV-Vis, FT-IR, Raman and ESR (electron spin resonance) spectrum, and the adsorption properties of $H_2Pc(I)x$ on ZnO were characterized by means of Raman and ESR studies. TGA for $H_2Pc(I)x$ showed a complete loss of iodine at approximately 265$^{\circ}C$ and the Raman spectrum of $H_2Pc(I)x$ and ZnO/$H_2Pc(I)x$ at 514.5 nm showed characteristic $I_3^-$ patterns in the frequency region 90∼550 $cm^{-1}$. ZnO/$H_2Pc(I)x$ exhibited a very intense and narrow ESR signal at $g=2.0025{\pm}0.0005$ compared to $H_2Pc$/ZnO. Iodine doped ZnO/$H_2Pc(I)x$ showed a better photosensitivity compared to iodine undoped ZnO/$H_2Pc$. That is, the surface photovoltage of ${\chi}-H_2Pc(I)_{0.92}$/ZnO was approximately 31 times greater than that of ZnO/${\chi}-H_2Pc$ and ZnO/${\beta}-H_2Pc(I)_{0.96}$ was 5 times more efficient than ZnO/${\beta}-H_2Pc$ at 670 nm. And the dependence of photosensitizing effect upon $H_2Pc$ polymorphs was exhibited that the surface photovoltage of ZnO/${\chi}-H_2Pc(I)_{0.92}$ was approximately 5 times greater than ZnO/${\beta}-H_2Pc(I)_{0.96}$ at 670 nm. Therefore Iodine doping of H_2Pc$ resulted in increase in photoconductivity of $H_2Pc$ and photovoltaic effect of ZnO/$H_2Pc$ in the visible region.

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