Records |
Author |
Cui, Z. |
Title |
Experimental and theoretical study on SF6 degradation by packed-bed DBD plasma |
Type |
Doctoral thesis |
Year |
2021 |
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Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Sulfur hexafluoride (SF6), as a man-made gas, is widely used in power industry, semiconductor industry and metal-processing industry. However, SF6 is a greenhouse gas and its global warming potential is 23500 times that of CO2. Besides, SF6 is very stable, with a lifetime in the atmosphere for more than one thousand years. Under natural conditions, only the ultraviolet light can make it slowly decomposed. Thus, the emission of SF6 has a great threat to the environment. In recent years, with the development of our national economy, the use of SF6 increased dramatically. And 90% of the SF6 emissions come from the power industry. In the meantime, the emission of SF6 exists a ‘hysteresis effect’, as many of the SF6-gas insulation equipment will retire in next decades, the emission of SF6 may increase sharply, and this may put great pressure on the environment. Therefore, it’s necessary to make efforts in controlling and treating the SF6 emission. Among the SF6 abatement technologies, the non-thermal plasma(NTP) represented by the dielectric barrier discharge(DBD) can effectively degrade SF6 and is suitable for large-scale industry applications. However, its energy efficiency still gets room for improvement and this kind of method has a defect that it’s hard to regulate the degradation by-products. Therefore, this paper proposed the combination of the packed bed reactor and the DBD technology to form a packed DBD discharge system for SF6 degradation, so that to further improve the energy efficiency and regulate the selectivity of by-products. By experiment and simulation research, the following innovations have been achieved: (1) Based on the packed bed DBD platform, the power parameter and gas-phase parameters of SF6 degradation were studied. It was found that the discharge process was significantly enhanced with the addition of packing particles, and the discharge energy efficiency was improved. The increase of input voltage can obviously increase the degradation rate, but reduces the energy efficiency. The increase of SF6 initial concentration and gas flow rate can improve the energy efficiency, but reduce the degradation rate. Therefore, both degradation rate and energy efficiency should be considered in deciding basic experimental conditions. (2) Active gases, such as O2, H2O and NH3, could effectively promote the degradation rate of SF6, and changed the product selectivity. In our packed bed DBD system, O2 and H2O have the optimal concentration conditions, which are 2% and 1%, respectively. The addition of O2 can promote the generation of S-O-F products, and inhibit the selectivity of SO2, while the addition of H2O had the opposite effects. In addition, the synergistic degradation of NH3 and SF6 will produce solid products, such as NH3HF, NH4HF2 and elemental S. For gaseous products, the increase of NH3 will lead to the generation of SO2 in the final degradation products and inhibit the generation of S-O-F products. (3) Different kinds of packing materials have great impacts on the degradation system in the discharge parameters, degradation rate and energy efficiency, as well as the products distribution. In the experiment, we compared the degradation results in three systems: glass beads packing, γ-Al2O3 packing and no-packing system. The packing of glass beads effectively improved the discharge voltage amplitude and discharge power, while had a limited effect on the equivalent capacitance of the dielectric. Besides, γ-Al2O3 packing had little effect on voltage amplitude, but obviously increased the equivalent capacitance of the dielectric. Furthermore, the degradation rate and energy efficiency in γ-Al2O3 system was higher than that of glass bead system. For products selectivity, γ-Al2O3 system was more desirable, where S-O-F type of product selectivity was suppressed and the SO2 selectivity increased significantly. By contrast, the glass beads system hardly affected the product selectivity. This results are presumably due to the relatively high dielectric constant of γ-Al2O3 particles and γ-Al2O3 itself may act as a reactant or a catalyst participating in the degradation reactions. (4) The size and status of the packing particles also have significant effects on the degradation process. The systems packed with 1, 2 and 4mm γ-Al2O3 particles for SF6 degradation were compared, and the 2mm system had the best performance, which may because the 2mm system had a good balance between the active contact area and the gas residence time. In addition, the packing pellets suffered from a hydration process slightly reduced the discharge parameters in the γ-Al2O3 packing system and significantly reduced the degradation rate was, which may because the H2O molecules pre-occupied the active sites on the γ-Al2O3 surface and reduced the discharge process. (5) Based on density functional theory (DFT), the degradation process of SF6 in the packed bed DBD system was studied at atomic scale. It was found that the SF6 can occur a physical adsorption at AlⅢ active sites on γ-Al2O3 surface. The activation barrier for the first degradation step of SF6 on γ-Al2O3 surface is much lower than in gas phase, which proved that the SF6 molecule is activated on the γ-Al2O3 surface. In addition, the plasma may affect the γ-Al2O3 surface to generate excess electrons or external electric fields. This two effects can change the adsorbed SF6 molecules from physical adsorption to chemisorption, together with an obvious stretching of S-F bonds, indicating that the plasma surface effects prmote the activation and decomposition of SF6 molecules. Furthermore, the stepwise degradation process of SF6 on γ-Al2O3 surface were investigated. The influence of radicals produced by plasma on the degradation process was analyzed. It was found that via Eley–Rideal (ER) reactions, high-energy radicals could effectively reduce the activation barriers and promote the surface reactions. Finally, the degradation mechanism of SF6 molecules in the packed bed plasma system was summarized, which may provide a theoretical basis for the study of harmless degradation of SF6. Keywords: SF6; Packed Bed DBD; Discharge Parameters; Products Analysis; Degradation Mechanism |
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UA @ admin @ c:irua:180819 |
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7946 |
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Ngo, N.; Liu, X.; Van Winckel, T.; Massoudieh, A.; Kjellerup, B.V.; Takács, I.; Wett, B.; Mancell-Egala, M.; Sturm, B.; Vlaeminck, S.E.; Al-Omari, A.; Murthy, S.; De Clippeleir, H. |
Title |
Experimental metrics to predict the flocculent settling coefficient in a 1D settler model |
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P3 Proceeding |
Year |
2017 |
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5 p.
T2 - WEFTEC.17, 30 September 4 October 2017, |
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P3 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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UA @ admin @ c:irua:151111 |
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7948 |
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Santer, R.; Schadkowski, C.; Blanchet, A.; Saison, J.-Y.; Poinsot, C.; Ramon, D.; Roekens, E.; Verlinden, L.; Van Grieken, R.; Stranger, M.; Mees, J. |
Title |
Expositions des populations vivant au cœur de l'Euro-région auz polluants atmosphériques: le cas des poussières fines = Blootstelling van de bevolkingsgroepen wonend in het hart van de Euregio aan polluerende atmosferische deeltjes: het geval van de fijne stofdeeltjes |
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Minutes and reports |
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2005 |
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Minutes and reports; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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UA @ admin @ c:irua:56167 |
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7952 |
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Meerburg, F.A.; Rahman, A.; Van Winckel, T.; Pauwels, K.; De Clippeleir, H.; Al-Omari, A.; Murthy, S.; Boon, N.; Vlaeminck, S.E. |
Title |
Fast and furious : optimization and validation of high-rate contact stabilization (HiCS) for recovery of organics from sewage |
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P3 Proceeding |
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2016 |
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3 p.
T2 - WEF/IWA Nutrient Removal and Recovery Co |
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P3 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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UA @ admin @ c:irua:151132 |
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7958 |
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Godoi, A.F.L.; Ravindra, K.; Godoi, R.H.M.; Andrade, S.J.; Santiago-Silva, M.; Van Vaeck, L.; Van Grieken, R. |
Title |
Fast chromatographic determination of polycyclic aromatic hydrocarbons in aerosol samples from sugar cane burning |
Type |
A1 Journal article |
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2004 |
Publication |
Journal of chromatography: A: bibliography section |
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1027 |
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49-53 |
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A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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000188498900008 |
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2003-11-15 |
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UA @ admin @ c:irua:43528 |
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7959 |
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Author |
Struyf, H.; van Roy, W.; Van Vaeck, L.; Van Grieken, R.; Caravatti, P. |
Title |
The feasibility of Fourier transform laser microprobe mass spectrometry for applications of local and surface analysis |
Type |
P3 Proceeding |
Year |
1994 |
Publication |
Proceedings of the European FTMS Workshop |
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P3 Proceeding; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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UA @ admin @ c:irua:9520 |
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7961 |
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Author |
Van Grieken, R.; Adams, F. |
Title |
Filter absorption correction for X-ray fluorescence analysis of aerosol loaded filters |
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P3 Proceeding |
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1976 |
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P3 Proceeding; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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no |
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UA @ admin @ c:irua:113635 |
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7968 |
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Van Grieken, R.; Injuk, J.; Otten, P.; Rojas, C.; van Malderen, H.; Laane, R. |
Title |
Fluxes and sources of heavy metal inputs into the Southern Bight of the North Sea |
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H3 Book chapter |
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1992 |
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184-193
T2 - Industrial air pollution: assessment |
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H3 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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UA @ admin @ c:irua:2859 |
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7975 |
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Author |
Huyskens, C. |
Title |
Fouling in submerged membrane bioreactors |
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Doctoral thesis |
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2012 |
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198 p. |
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Doctoral thesis; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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978-90-5728-374-1 |
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UA @ admin @ c:irua:99492 |
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7980 |
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Author |
Caratelli, D.; Gielis, J.; Ricci, P.E. |
Title |
Fourier-like solution of the Dirichlet problem for the Laplace Equation in k-type Gielis domains |
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A1 Journal article |
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2011 |
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Journal of pure and applied mathematics : advances and applications |
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5 |
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2 |
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99-111 |
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A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
The interior and exterior Dirichlet problems for the Laplace equation in k-type Gielis domains are analytically addressed by using a suitable Fourier-like technique. A dedicated numerical procedure based on the computer-aided algebra tool Mathematica© is developed in order to validate the proposed approach. In this way, highly accurate approximations of the solution, featuring properties similar to the classical ones, are obtained. Computed results are found to be in good agreement with theoretical findings on Fourier series expansion presented by Carleson. |
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UA @ admin @ c:irua:91090 |
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7982 |
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Han, M.; De Clippeleir, H.; Al-Omari, A.; Vlaeminck, S.E.; Wett, B.; Murthy, S. |
Title |
Free ammonia and/or temperature impact study on temperature-acclimated mainstream nitrification sludge |
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P3 Proceeding |
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2016 |
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3 p.
T2 - WEF/IWA Nutrient Removal and Recovery Co |
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P3 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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UA @ admin @ c:irua:151134 |
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7984 |
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Author |
Van Grieken, R.; Eyckmans, K. |
Title |
Geen vuiltje aan de Noordzeelucht: aërosolen kennen geen grenzen |
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P3 Proceeding |
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2001 |
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P3 Proceeding; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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UA @ admin @ c:irua:36094 |
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7990 |
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Author |
Gielis, J.; Caratelli, D.; Tavkhelidze, I. |
Title |
The general case of cutting GML bodies : the geometrical solution |
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H1 Book chapter |
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2020 |
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397-411
T2 - Differential and difference equations |
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H1 Book chapter; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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2020-10-21 |
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978-3-030-56322-6 |
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Most recent IF: NA |
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UA @ admin @ c:irua:174477 |
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7991 |
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Author |
Gielis, J. |
Title |
The geometrical beauty of plants |
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MA3 Book as author |
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2017 |
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229 p. |
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MA3 Book as author; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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2017-06-01 |
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978-94-6239-150-5; 978-94-6239-151-2 |
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UA @ admin @ c:irua:144554 |
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7997 |
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Mabesoone, J.M.; Duarte, P.J.; Van Grieken, R.; Delgao, A.; Freire, E.M.P. |
Title |
Geoquimica dos microclasticos da Bacio do Parnaiba |
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H3 Book chapter |
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1985 |
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30-31
T2 - Fanerozoico Nordestino : serie D |
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H3 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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UA @ admin @ c:irua:117502 |
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8001 |
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Author |
Van Grieken, R.E.; Markowicz, A.A. |
Title |
Handbook of X-ray spectrometry |
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ME2 Book as editor or co-editor |
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2002 |
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1016 p. |
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ME2 Book as editor or co-editor; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Edition |
2 ed. |
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ISBN |
0-8247-0600-5 |
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no |
Call Number |
UA @ admin @ c:irua:36390 |
Serial |
8017 |
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Author |
Ravindra, K.; Mittal, A.K.; Van Grieken, R. |
Title |
Health risk assessment of urban suspended particulate matter with special reference to polycyclic aromatic hydrocarbons: a review |
Type |
A3 Journal article |
Year |
2001 |
Publication |
Reviews on environmnetal health |
Abbreviated Journal |
|
Volume |
16 |
Issue |
3 |
Pages |
169-189 |
Keywords |
A3 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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no |
Call Number |
UA @ admin @ c:irua:36128 |
Serial |
8019 |
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Author |
Stosic, D. |
Title |
High-performance Ginzburg-Landau simulations of superconductivity |
Type |
Doctoral thesis |
Year |
2018 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
166 p. |
Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
Abstract |
Superconductivity is one of the most important discoveries of the last century. With many applications in physics, engineering, and technology, superconductors are crucial to our way of living. Several material and engineering issues however prevent their widespread usage in everyday life. Comprehensive studies are being directed at these materials and their properties to come up with new technologies that will address these challenges and enhance their superconductive capabilities. In this context, numerical modeling plays an important role in the search of new solutions to existing material and engineering issues. The time-dependent Ginzburg-Landau (TDGL) theory is a powerful predictive tool for modeling the macroscopic behavior of superconductors. However most of the numerical algorithms developed so far are incapable of describing many basic properties of real superconducting devices, and are too slow on current hardware for large-scale numerical simulations necessary for their accurate description. Therefore, the purpose of this thesis is to develop high-performing numerical solutions that can correctly describe material features to be used as modeling tools of laboratory experiments. Some important innovations introduced in this work include the numerical modeling of nonrectangular geometrical shapes with complex electrical and insulating components, the inclusion of dynamic heating of the material, and the description of different types of material inhomogeneities. These encompass the principal features necessary for a complete description of the superconductive physics in real material samples. In this thesis a numerical solution is developed for modeling superconducting thin films and used to study the superconductive properties of three experimental configurations: the dynamics of vortex matter in a Corbino disk, the motion of ultrafast vortices in an hourglass-shaped microbridge, and the photon detection process in a meander-patterned nanowire. Moreover, a numerical solution is developed for modeling three-dimensional superconductors which are studied here for the first time in the type-I superconducting regime. These numerical algorithms are optimized to exploit the computational horsepower of graphics processing units (GPUs) and multicore central-processing unit (CPU) clusters such that they can achieve high-performance and be used to model large-scale problems previously impossible on conventional machines. Several computational tools are also designed to assist with the modeling of superconducting devices. These include a numerical library of the TDGL equations, a novel mechanism for the generation of complex geometries, a closed-form solver to conduct numerical simulations, and a graphics user interface (GUI) to visualize the dynamic behavior of superconductors. The contributions in this thesis ultimately push the boundaries on what is possible in state-of-the-art numerical modeling of superconductivity. |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:181141 |
Serial |
8034 |
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Author |
Vanmeert, F. |
Title |
Highly specific X-ray powder diffraction imaging at the macroscopic and microscopic scale |
Type |
Doctoral thesis |
Year |
2019 |
Publication |
|
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
|
Keywords |
Doctoral thesis; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
At or below the surface of painted works of art, valuable information is present that provides insights into an object’s past, such as the artist’s technique and the creative process that was followed or its conservation history, but also on its current state of preservation. Typically, a (very) limited set of small paint samples is taken which provide direct access to the individual paint layers. The chemical build-up of these layers can then be investigated in great detail using various microscopic analytical methods. However, in recent years a new trend towards both elemental and chemical imaging techniques has been set which are capable of visualizing the (often) heterogeneous composition of painted objects on a macroscopic scale. In this dissertation, various forms of specificity attainable with X‑ray powder diffraction (XRPD) imaging are explored: at the chemical, material and spatial level. This high specificity is illustrated throughout several applications stemming from the field of cultural heritage, both at the macroscopic (MA) and microscopic (µ) scale. As a first step, XRPD imaging was transformed to a transportable instrument that can be employed for the in situ investigation of artworks, e.g., inside museums and conservation workshops. With this unique instrument large‑scale maps (cm2 – dm2) reflecting the distribution of crystalline phases on/below the surface of flat painted artefacts can be visualized in a noninvasive manner. In this way compound-specific information was attained which can be related to original pigments or materials that have been added in a later stage and even degradation/secondary products that have formed spontaneously inside the paint layers. Additionally, with MA‑XRPD imaging it was possible to link quantitative information of pigment compositions and preferred orientation effects to the 2D compound‑specific distribution images, allowing for a further distinction between very similar artists’ materials. Furthermore, promising results for the limited depth-selectivity of this technique, obtained by exploiting the small shift in the position of the diffraction signals originating from the layered sequence of the pigments, are shown. Finally, a minute paint sample from Wheat stack under a cloudy sky by Van Gogh was investigated at a synchrotron radiation facility with tomographic µ‑XRPD imaging at the microscopic scale. The high chemical and spatial specificity of this imaging method was exploited to further elucidate the degradation pathway of the red lead pigment. |
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no |
Call Number |
UA @ admin @ c:irua:159805 |
Serial |
8043 |
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Author |
Abreu Alfonso, Y. |
Title |
Hyperfine parameters and radiation damage in semiconductors and superconducting materials |
Type |
Doctoral thesis |
Year |
2014 |
Publication |
|
Abbreviated Journal |
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Volume |
|
Issue |
|
Pages |
126 p. |
Keywords |
Doctoral thesis; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:116686 |
Serial |
8047 |
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Author |
Bondarenko, I.; Treiger, B.; Van Grieken, R.; van Espen, P. |
Title |
IDAS: a new Windows based software for multivariate analysis of atmospheric aerosol composition data bases |
Type |
H3 Book chapter |
Year |
1995 |
Publication |
|
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
308-315
T2 - Space and time in environmental infor |
Keywords |
H3 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Chemometrics (Mitac 3) |
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Additional Links |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:12357 |
Serial |
8049 |
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Author |
Salvadó, N.; Butí, S.; Pradell, T.; Beltran, V.; Cinque, G.; Juanhuix, J. |
Title |
Identification and distribution of metal soaps and oxalates in oil and tempera paint layers in fifteenth-century altarpieces using synchrotron radiation Techniques |
Type |
H1 Book chapter |
Year |
2019 |
Publication |
|
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
195-210
T2 - Metal soaps in art : conservation and |
Keywords |
H1 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
The formation and distribution of metal soaps produced as a result of the reactivity and aging of the materials in a fifteenth-century egg tempera and oil paintings on wood are presented. The painting technique involves the application of several paint layers over a ground using, sometimes in the same paint layer sequence, drying oil and egg yolk binders. We show, with a selection of examples, how the use of thin sections and a combination of various micro-sensitive analytical techniques is adequate to obtain the high-quality data necessary for the unambiguous identification of metal soaps and metal oxalates as well as their distribution in the paint layers. The techniques include micro infrared spectroscopy (μSR-FTIR) and micro X-ray diffraction (μSR-XRD) with synchrotron radiation, optical microscopy (OM), and scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM-EDS). The data obtained sheds light about the underlying reaction and aging mechanisms happening in each paint layer and among them. This helps to define the state of conservation of the artworks. |
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2019-03-23 |
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ISSN ![sorted by ISSN field, ascending order (up)](img/sort_asc.gif) |
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ISBN |
978-3-319-90616-4; 2366-6226; 978-3-319-90617-1 |
Additional Links |
UA library record |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:172891 |
Serial |
8051 |
Permanent link to this record |
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Author |
Verbueken, A.; Verpooten, G.; Nouwen, E.; de Broe, M.; Van Grieken, R. |
Title |
Identification of inorganic and organic microliths in kidney sections by laser microprobe mass analysis (LAMMA) |
Type |
P3 Proceeding |
Year |
1986 |
Publication |
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Abbreviated Journal |
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Issue |
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Pages |
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Keywords |
P3 Proceeding; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP) |
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no |
Call Number |
UA @ admin @ c:irua:117510 |
Serial |
8054 |
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Author |
de Nolf, W. |
Title |
Imaging of crystalline phase distributions by means of scanning and tomographic X-ray powder diffraction |
Type |
Doctoral thesis |
Year |
2013 |
Publication |
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Abbreviated Journal |
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Issue |
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Pages |
407 p. |
Keywords |
Doctoral thesis; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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no |
Call Number |
UA @ admin @ c:irua:110910 |
Serial |
8057 |
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Author |
Lin, A.; Truong, B.; Fridman, G.; Friedman, A.A.; Miller, V. |
Title |
Immune cells enhance selectivity of nanosecond-pulsed DBD plasma against tumor cells |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Plasma medicine |
Abbreviated Journal |
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Volume |
7 |
Issue |
1 |
Pages |
85-96 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Cancer immunotherapy is a promising strategy that engages the patient's immune system to kill cancer cells selectively while sparing normal tissue. Treatment of macrophages with a nanosecond-pulsed dielectric barrier discharge directly enhanced their cytotoxic activity against tumor cells but not normal cells. These results underscore the clinical potential of plasma for cancer immunotherapy. |
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2017-08-15 |
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no |
Call Number |
UA @ admin @ c:irua:155657 |
Serial |
8058 |
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Author |
Mozo, I.; Lacoste, L.; De Cocker, P.; Vlaeminck, S.E.; Sperandio, M.; Bessiere, Y.; Hernandez-Raquet, G.; Caligaris, M.; Barillon, B.; Martin Ruel, S. |
Title |
Impact of temperature on mainstream deammonification performance and microbial community |
Type |
P3 Proceeding |
Year |
2016 |
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Pages |
3 p.
T2 - IWA World Water Congress & Exhibition (W |
Keywords |
P3 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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no |
Call Number |
UA @ admin @ c:irua:151121 |
Serial |
8065 |
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Author |
Schaubroeck, T.; De Clippeleir, H.; Weissenbacher, N.; Dewulf, J.; Boeckx, P.; Vlaeminck, S.E.; Wett, B. |
Title |
The importance of resource recovery for the environmental sustainability of an energy self-sufficient sewage treatment plant |
Type |
P3 Proceeding |
Year |
2015 |
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3 p.
T2 - IWA Resource Recovery Conference, 30 Aug |
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P3 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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no |
Call Number |
UA @ admin @ c:irua:151141 |
Serial |
8068 |
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Author |
Aucar Boidi, N.; Fernández García, H.; Nunez-Fernandez, Y.; Hallberg, K. |
Title |
In-gap band in the one-dimensional two-orbital Kanamori-Hubbard model with interorbital Coulomb interaction |
Type |
A1 Journal article |
Year |
2021 |
Publication |
Physical review research |
Abbreviated Journal |
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Volume |
3 |
Issue |
4 |
Pages |
043213 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp X-ray Imaging and Spectroscopy (AXIS) |
Abstract |
We study the electronic spectral properties at zero temperature of the one-dimensional (1D) version of the degenerate two-orbital Kanamori-Hubbard model, one of the well-established frameworks to study transition metal compounds, using state-of-the-art numerical techniques based on the density matrix renormalization group. While the system is Mott insulating for the half-filled case, as expected for an interacting 1D system, we find interesting and rich structures in the single-particle density of states (DOS) for the hole-doped system. In particular, we find the existence of in-gap states which are pulled down to lower energies from the upper Hubbard band with increasing the interorbital Coulomb interaction V. We analyze the composition of the DOS by projecting it onto different local excitations, and we observe that for large dopings these in-gap excitations are formed mainly by interorbital holon-doublon (HD) states and their energies follow approximately the HD states in the atomic limit. We observe that the Hund interaction J increases the width of the in-gap band, as expected from the two-particle fluctuations in the Hamiltonian. The observation of a finite density of states within the gap between the Hubbard bands for this extended 1D model indicates that these systems present a rich excitation spectra which could help us understand the microscopic physics behind multiorbital compounds. |
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000736651500002 |
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2021-12-23 |
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UA library record; WoS full record; WoS citing articles |
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OpenAccess |
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Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:184836 |
Serial |
8073 |
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Author |
Samaee, V. |
Title |
In-situ transmission electron microscopic nanomechanical investigations of Ni |
Type |
Doctoral thesis |
Year |
2018 |
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172 p. |
Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
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no |
Call Number |
UA @ admin @ c:irua:156143 |
Serial |
8075 |
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Author |
Storms, H.; Artaxo, P.; Bruynseels, F.; Van Grieken, R. |
Title |
Individual particle analysis by automated EPMA for the improvement of source apportionment for remote aerosols |
Type |
H3 Book chapter |
Year |
1987 |
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343-345
T2 - Microbeam analysis 1987 / Geiss, R.H. |
Keywords |
H3 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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no |
Call Number |
UA @ admin @ c:irua:117525 |
Serial |
8077 |
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