• Title/Summary/Keyword: proton reaction

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Surface Segregation of Hydroniums and Chlorides in a Thick Ice Film at Higher Temperatures

  • Lee, Du Hyeong;Bang, Jaehyeock;Kang, Heon
    • Proceedings of the Korean Vacuum Society Conference
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    • 2013.02a
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    • pp.263-263
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    • 2013
  • This work examines the dynamic properties of ice surfaces in vacuum for the temperature range of 140~180 K, which extends over the onset temperatures for ice sublimation and the phase transition from amorphous to crystallization ice. In particular, the study focuses on the transport processes of excess protons and chloride ions in ice and their segregative behavior to the ice surface. These phenomena were studied by conducting experiments with a relatively thick (~100 BL) ice film constructed with a bottom $H_2O$ layer and an upper $D_2O$ layer, with excess hydronium and chloride ions trapped at the $H_2O$/$D_2O$ interface as they were generated by the ionization of hydrogen chloride. The migration of protons, chloride ions, and water molecules to the ice film surface and their H/D exchange reactions were measured as a function of temperature using the methods of low energy sputtering (LES) and Cs+ reactive ion scattering (RIS). Temperature programmed desorption (TPD) experiments monitored the desorption of water and hydrogen chloride from the surface. Our observations indicated that both hydronium and chloride ions migrated from the interfacial layer to segregate to the surface at high temperature. Hydrogen chloride gas desorbs via recombination reaction of hydronium and chloride ions floating on the surface. Surface segregation of these species is driven by thermodynamic potential gradient present near the ice surface, whereas in the bulk, their transport is facilitated by thermal diffusion process. The finding suggests that chlorine activation reactions of hydrogen chloride for polar stratospheric ice particles occur at the surface of ice within a depth of at most a few molecular layers, rather than in the bulk phase.

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Study on the Isomerization and Dehydrobromination Mechanism of Brominated Butyl Rubber (브롬화된 부틸고무의 탈브롬화 밑 이성질체화 메커니즘에 대한 연구)

  • Wu, Yibo;Guo, Wenli;Li, Shuxin;Gong, Liangfa;Shang, Yuwei
    • Polymer(Korea)
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    • v.34 no.1
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    • pp.69-73
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    • 2010
  • Effects of reaction time and temperature on the isomerization and dehydrobromination reactions of brominated butyl rubber were investigated. The structural composition of brominated butyl rubber was determined by Fourier transform infrared spectroscopy (FT-IR) and proton nuclear magnetic resonance spectroscopy($^1H$-NMR), Density functional theory (DFT) was used to study on the isomerization and dehydrobromination mechanisms of model compounds. The geometries for model compounds of 3-bromo-5,5,7,7-tetramethyl-2(2',2',4',4'-tetramethyl)pentyl-1-octylene (3BrOE), 1-bromo-5,5,7,7-tetramethyl-2(2',2',4',4'-tetramethyl)pentyl-2-octylene (1Br2OE) and 5,5,7,7-tetramethyl-2(2',2', 4',4'-tetramethyl)pentyl-1,3-octadiene (CD) had been optimized by using density functional theory at B3LYP/3-21G and B3LYP/6-31G levels. The predicted energy of 3BrOE lies higher than that of 1Br2OE which suggests that 1Br2OE configuration is more stable than the 3BrOE configuration. Compared with the energy barrier, the pathway of dehydrobromination is less competitive than that of isomerization. This is qualitatively consistent with the experimental results.

Study of Synthesis and Performance of Covalently Cross-Linked SPEEK/Cs-TSiA Composite Membranes with Ceria Contents for Water Electrolysis (수전해용 공유가교 SPEEK/Cs-TSiA 막의 Ceria의 함량에 따른 제조 및 성능 연구)

  • YOON, DAE-JIN;OH, YUN-SUN;SEO, HYEON;MOON, SANG-BONG;CHUNG, JANG-HOON
    • Journal of Hydrogen and New Energy
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    • v.26 no.3
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    • pp.212-220
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    • 2015
  • The engineering plastic of sulfonated polyether ether ketone (SPEEK) as a polymer matrix has been developed in this lab to replace Nafion, solid polymer electrolytes of perfluorosulfonic acid membrane which has several flaws such as high cost, and limited operational temperature above $80^{\circ}C$. The SPEEK was prepared in the sulfonation reaction of polyether ether ketone (PEEK). The organic-inorganic blended composite membranes were prepared by sol-gel casting method with loading the highly dispersed ceria and cesium-substituted tungstosilicic acid (Cs-TSiA) with cross-linking agent contents of 0.01 mL. In conclusion, CL-SPEEK/Cs-TSiA/ceria 1% membrane showed the optimum results such as 0.1882 S/cm of proton conductivity at $80^{\circ}C$, and 99.61 MPa of tensile strength which were better than Nafion 117 membrane.

Effects of 3D Flow-Channel Configurations on the Performance of PEMFC using Computational Fluid Dynamics (전산유체역학을 이용한 PEMFC의 성능에 대한 3차원 유로 구조의 영향)

  • Han, Kyoung-Ho;Yoon, Do Young
    • Korean Chemical Engineering Research
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    • v.54 no.6
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    • pp.847-853
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    • 2016
  • Here has been examined a 3-dimensional computational fluid dynamics (CFD) modeling in order to investigate the performance analysis of proton exchange membrane (PEM) fuel cells with serpentine flow fields. The present CFD model considers the isothermal transport phenomena in a fuel cell involving mass, momentum transport, electrode kinetics, and potential fields. Co-current flow patterns for a PEMFC are considered for various geometries in the single straight cell. Current density distribution from the calculated distribution of oxygen and hydrogen mass fractions has been determined, where the activation overpotential has been also calculated within anode and cathode. CFD results showed that profiles differ from those simulations subjected to each the calculated activation overpotential. It is interesting that the present serpentine flow field shows the specific distribution of current density with respect to the aspect ratio of depth to width and the ratio of reaction area for various serpentine geometries. Simulation results were considered reasonable with the other CFD results reported in literature and global comparisons of the PEMFC model.

Numerical Study on Comparison of Serpentine and Parallel Flow Channel in High-temperature Proton Exchange Membrane Fuel Cells (고온형 고분자전해질형 연료전지에서의 사형 유로와 평행 유로 성능비교에 대한 수치해석적 연구)

  • AHN, SUNGHA;OH, KYEONGMIN;JU, HYUNCHUL
    • Journal of Hydrogen and New Energy
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    • v.29 no.1
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    • pp.41-55
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    • 2018
  • General polymer electrolyte fuel cell (PEMFC) operates at less than $80^{\circ}C$. Therefore liquid phase water resulting from electrochemical reaction accumulates and floods the cell which in turn increases the mass transfer loss. To prevent the flooding, it is common to employ serpentine flow channel, which can efficiently export liquid phase water to the outlet. The major drawback of utilizing serpentine flow channel is the large pressure drop that happens between the inlet and outlet. On the other hand, in the high temperature polymer electrolyte fuel cell (HT-PEMFC), since the operating temperature is 130 to $180^{\circ}C$, the generated water is in the state of gas, so the flooding phenomenon is not taken into consideration. In HT-PEMFCs parallel flow channel with lower pressure drop between the inlet and outlet is employed therefore, in order to circulate hydrogen and air in the cell less pumping power is required. In this study we analyzed HT-PEMFC's different flow channels by parallel computation using previously developed 3-D isothermal model. All the flow channels had an active area of $25cm^2$. Also, we numerically compared the performance of HT-PEMFC parallel flow channel with different manifold area and Rib interval against the original serpentine flow channel. Results of the analysis are shown in the form of three-dimensional contour polarization curves, flow characteristics in the channel, current density distribution in the Membrane, overpotential distribution in the catalyst layer, and hydrogen and oxygen concentration distribution. As a result, the performance of a real area fuel cell was predicted.

Photocatalytic Systems of Pt Nanoparticles and Molecular Co Complexes for NADH Regeneration and Enzyme-coupled CO2 Conversion

  • Kim, Ellen;Jeon, Minkyung;Kim, Soojin;Yadav, Paras Nath;Jeong, Kwang-Duk;Kim, Jinheung
    • Rapid Communication in Photoscience
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    • v.2 no.2
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    • pp.42-45
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    • 2013
  • Natural photosynthesis utilizes solar energy to convert carbon dioxide and water to energy-rich carbohydrates. Substantial use of sunlight to meet world energy demands requires energy storage in useful fuels via chemical bonds because sunlight is intermittent. Artificial photosynthesis research focuses the fundamental natural process to design solar energy conversion systems. Nicotinamide adenine dinucleotide ($NAD^+$) and $NADP^+$ are ubiquitous as electron transporters in biological systems. Enzymatic, chemical, and electrochemical methods have been reported for NADH regeneration. As photochemical systems, visible light-driven catalytic activity of NADH regeneration was carried out using platinum nanoparticles, molecular rhodium and cobalt complexes in the presence of triethanolamine as a sacrificial electron donor. Pt nanoparticles showed photochemical NADH regeneration activity without additional visible light collector molecules, demonstrating that both photoactivating and catalytic activities exist together in Pt nanoparticles. The NADH regeneration of the Pt nanoparticle system was not interfered with the reduction of $O_2$. Molecular cobalt complexes containing dimethylglyoxime ligands also transfer their hydrides to $NAD^+$ with photoactivation of eosin Y in the presence of TEOA. In this photocatalytic reaction, the $NAD^+$ reduction process competed with a proton reduction.

Effects of the CYP2C19 Genetic Polymorphism on Gastritis, Peptic Ulcer Disease, Peptic Ulcer Bleeding and Gastric Cancer

  • Jainan, Wannapa;Vilaichone, Ratha-Korn
    • Asian Pacific Journal of Cancer Prevention
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    • v.15 no.24
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    • pp.10957-10960
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    • 2015
  • Background: The CYP2C19 genotype has been found to be an important factor for peptic ulcer healing and H. pylori eradication, influencing the efficacy of proton pump inhibitors (PPIs) and the pathogenesis of gastric cancer. The aim of this study was to investigate clinical correlations of the CYP2C19 genotype in patients with gastritis, peptic ulcer disease (PUD), peptic ulcer bleeding (PUB) and gastric cancer in Thailand. Materials and Methods: Clinical information, endoscopic findings and H. pylori infection status of patients were assessed between May 2012 and November 2014 in Thammasat University Hospital, Thailand. Upper GI endoscopy was performed for all patients. Five milliliters of blood were collected for H. pylori serological diagnosis and CYP2C19 study. CYP2C19 genotypes were determined by polymerase chain reaction (PCR) and restriction fragment length polymorphism analysis (RFLP) and classified as rapid metabolizer (RM), intermediate metabolizer (IM) or poor metabolizer (PM). Results: A total of 202 patients were enrolled including 114 with gastritis, 36 with PUD, 50 with PUB and 2 with gastric cancer. Prevalence of CYP2C19 genotype was 82/202 (40.6%) in RM, 99/202 (49%) in IM and 21/202 (10.4%) in PM. Overall H. pylori infection was 138/202 patients (68.3%). H. pylori infection was demonstrated in 72% in RM genotype, 69.7% in IM genotype and 47.6% in PM genotype. Both gastric cancer patients had the IM genotype. In PUB patients, the prevalence of genotype RM (56%) was highest followed by IM (32%) and PM(12%). Furthermore, the prevalence of genotype RM in PUB was significantly greater than gastritis patients (56% vs 36%: p=0.016; OR=2.3, 95%CI=1.1-4.7). Conclusions: CYP2C19 genotype IM was the most common genotype whereas genotype RM was the most common in PUB patients. All gastric cancer patients had genotype IM. The CYP2C19 genotype RM might be play role in development of PUD and PUB. Further study in different population is necessary to verify clinical usefulness of CYP2C19 genotyping in development of these upper GI diseases.

Synthesis of Potassium Hexatitanate with Non-Fibrous Shape as a Raw Material for Friction Material in Brake System (자동차 브레이크 마찰재용 비침상형 육티탄산칼륨의 합성 연구)

  • Lee, Jung Ju;Lee, Na-Ri;Pee, Jae-Hwan;Kim, Jong-Young;Kim, Jeong-Joo
    • Korean Journal of Materials Research
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    • v.27 no.3
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    • pp.132-136
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    • 2017
  • We synthesized potassium hexatitanate, ($K_2Ti_6O_{13}$, PT6), with a non-fibrous shape, by acid leaching and subsequent thermal treatment of potassium tetratitanate ($K_2Ti_4O_9$, PT4), with layered crystal structure. By controlling nucleation and growth of PT4 crystals, we obtained splinter-type crystals of PT6 with increased width and reduced thickness. The optimal holding temperature for the layered PT4 was found to be ${\sim}920^{\circ}C$. The length and width of the PT4 crystals were increased when the nucleation and growth time were increased. After a proton exchange reaction using aqueous 0.3 M HCl solution, and subsequent heat treatment at $850^{\circ}C$, the PT4 crystal transformed into splinter-type PT6 crystals. The frictional characteristics of the friction materials show that as the particle size of PT6 increases, the coefficient of friction (COF) and wear amounts of both the friction materials and counter disc increase.

Measurement of Neutron Capture Gamma-ray Spectrum of Natural Gold in the keV Energy Region

  • Lee, Jae-Hong;Lee, Sam-Yol;Lee, Sang-Bock;Lee, Jun-Haeng;Jin, Gye-Hwan
    • Journal of the Korean Society of Radiology
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    • v.1 no.1
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    • pp.45-49
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    • 2007
  • keV-neutron capture gamma-ray spectrum of $^{197}Au$(natural gold) sample have been measured in neutron energy range from 10 to 90 keV using the 3-MV pelletron accelerator of the Research Laboratory for Nuclear Reactors at the Tokyo Institute of Technology. Pulsed keV neutrons were produced from the $^7Li(p,n)^7Be$ reaction by bombarding on the $^7Li$ target with the 1.5-ns bunched proton beam. The incident neutron spectrum on the Au sample was measured by a $^6Li$-glass scintillation detector and TOF method. Capture gamma-rays from Au sample were measured by anti-Compton NaI(TI) spectrometer. Five average neutron energy regions were selected to obtain the neutron capture spectrum. Several gamma-ray peaks in the spectrum were found in the present experiment.

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A Study on Synthesis of $^{99m}Tc-HMPAO$ as A Brain Perfusion Agent and Its Distribution (뇌혈류 평가용 $^{99m}Tc-HMPAO$ 합성 및 분포에 관한 연구)

  • Lee, Myung-Chul;Lee, Bum-Woo;Chung, June-Key;Cho, Bo-Youn;Koh, Chang-Soon;Jeong, Jae-Min;Yeom, Mi-Kyung;Hong, Mee-Kyoung;Choi, Seok-Rye
    • The Korean Journal of Nuclear Medicine
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    • v.24 no.2
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    • pp.215-221
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    • 1990
  • HM-PAO was synthesized by two step reaction. d, 1-HM-PAO was separated from the racemic product by fractional recrystalization in ethylacetate, and the chemical structure and purity was confirmed by proton NMR spectroscopy. The synthesized 0, 1-HM-PAO was labeled with $^{99m}Tc$ and studied the biodistribution in mice. From the results we could find that liver uptake of synthesized $^{99m}Tc$ d, 1-HM-PAO was higher than that of Amersham kit, but no conspicuous difference was found in brain and other tissues (blood, lung, stomach, intestine, muscle, spleen and kidney).

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