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Author Penders, A.G.; Konstantinović, M.J.; Van Renterghem, W.; Bosch, R.-W.; Schryvers, D.; Somville, F.
Title Characterization of IASCC crack tips extracted from neutron-irradiated flux thimble tube specimens in view of a probabilistic fracture model Type A1 Journal article
Year 2022 Publication Journal of nuclear materials Abbreviated Journal J Nucl Mater
Volume 571 Issue (down) Pages 154015-154016
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract This study reports the properties of irradiation assisted stress corrosion crack tips extracted by means of focused-ion beam from 60 to 80 dpa neutron-irradiated O-ring specimens tested under straining conditions under a pressurized-water reactor environment. Various crack tip morphologies and surrounding deformation features were analyzed as a function of applied stress, surface oxidation state and loading form – constant versus cyclic. All investigated cracks exhibit grain boundary oxidation in front of the crack tip, with the extent of oxidation being proportional to applied stress. These findings clearly demonstrate that, under the subcritical crack propagation regime, the grain boundary oxide grows faster than the crack. On the other hand, crack tips appertaining to specimens with removed oxide layer at the outer surface show comparatively less oxidation at the crack tip, which could indicate towards crack initiation from regions that exemplify lower stress, such as the O-ring inner surface. Cyclic loading is found to have a more pronounced effect on the crack tip microstructure, demonstrating increased deformation twinning and -martensitic transformation, which signifies towards an increased susceptibility to intergranular failure. Still, the extent of crack tip grain boundary oxidation in this case agrees well with expected values for maximum stress applied during cyclic loading. All results are interpreted based on the probabilistic subcritical crack propagation mechanism and provide strong support to a stress-driven internal oxidation model.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000872389200009 Publication Date 2022-09-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3115 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.1 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 3.1
Call Number UA @ admin @ c:irua:190375 Serial 7135
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Author Quintero-Coronel, D.A.; Lenis-Rodas, Y.A.; Corredor, L.; Perreault, P.; Bula, A.; Gonzalez-Quiroga, A.
Title Co-gasification of biomass and coal in a top-lit updraft fixed bed gasifier : syngas composition and its interchangeability with natural gas for combustion applications Type A1 Journal article
Year 2022 Publication Fuel Abbreviated Journal Fuel
Volume 316 Issue (down) Pages 123394-11
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract The co-gasification of biomass and coal is a promising approach for efficiently integrating the unique advantages of different gasification feedstock with syngas production. Additionally, syngas from the co-gasification of locally available biomass and coal could supplement the natural gas used in household and industrial burners. The top-lit updraft gasifier features a moving ignition front that starts at the top and propagates downward through the solids bed, while air enters from the bottom and the gas product flows upwards. This study assesses the co-gasification performance of palm kernel shell and high-volatile bituminous coal in a top-lit updraft fixed bed gasifier using 70, 85, and 100 vol% biomass and equivalence ratios ranging from 0.26 to 0.34. The results indicate that the ignition front propagates faster and is more uniform as the biomass volume increases. Micro GC analysis revealed that the H2/CO ratio remained in the range of 0.57–0.59, 0.49–0.51, and 0.42–0.46 for experiments with 70, 85, and 100 vol% biomass, respectively. A gas interchangeability analysis showed that syngas-natural gas blends with up to 15 vol% of syngas could combust in atmospheric natural gas burners without modifications. Thus, the top-lit updraft gasifier shows excellent potential for the co-gasification of coal and biomass. Further research on this technology should explore steam as a gasification agent to enhance the syngas energy content and continuous solids feeding.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000783173000003 Publication Date 2022-01-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0016-2361 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.4 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 7.4
Call Number UA @ admin @ c:irua:187752 Serial 7136
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Author Perreault, P.; Kummamuru, N.B.; Gonzalez Quiroga, A.; Lenaerts, S.
Title CO2 capture initiatives : are governments, society, industry and the financial sector ready? Type A1 Journal article
Year 2022 Publication Current Opinion in Chemical Engineering Abbreviated Journal Curr Opin Chem Eng
Volume 38 Issue (down) Pages 100874
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract The deployment of CCUS plants does not match the enormous requirements to meet the CO2 emission reductions fixed during the Paris agreement, and we must ask ourselves what is refraining the technology deployment, especially in light of the recent high CO2 prices. Owing to the higher costs than their fossil counterparts, Carbon Capture & Utilization represents a long-term solution. In addition to a gigantic scale-up effort even for the most mature Carbon Capture & Storage (CCS) technologies, various factors are responsible for the slow roll-out of CCS projects. Luckily, the financial sector and governments are playing their role. Support from the public is however key, and an open communication is required to convert social tolerance into social acceptance.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000885329800001 Publication Date 2022-10-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2211-3398 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.6 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 6.6
Call Number UA @ admin @ c:irua:191272 Serial 7137
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Author Gestels, A.; Van der Snickt, G.; Caen, J.; Nuyts, G.; Legrand, S.; Vanmeert, F.; Detry, F.; Janssens, K.; Steenackers, G.
Title Combined MA-XRF, MA-XRPD and SEM-EDX analysis of a medieval stained-glass panel formerly from Notre Dame, Paris reveals its material history Type A1 Journal article
Year 2022 Publication Microchemical journal Abbreviated Journal Microchem J
Volume 177 Issue (down) Pages 107304
Keywords A1 Journal article; Engineering sciences. Technology; Art; Antwerp Cultural Heritage Sciences (ARCHES); Antwerp X-ray Imaging and Spectroscopy (AXIS)
Abstract As part of its conservation-restoration, the 13th century stained-glass panel ‘the Annunciation’, was examined at the micro- and macro level. This window, since 1898 in the collection of the Museum Mayer Van den Bergh (Antwerp, B), was formerly a part of the southern Rose window of the Notre Dame Cathedral (Paris, F). The insigths emerging from a first phase of the analysis, comprising non-invasive analysis techniques such as optical microscopy combined with macroscopic X-ray fluorescence (MA-XRF) and X-ray diffraction (MA-XRPD) mapping, were used to select sampling positions for the second phase of investigation that involved micro-invasive analysis, namely scanning-electron microscopy coupled to energy-dispersive X-ray analysis (SEM-EDX). The aim of the investigation was fourfold: (1) to assess the applicability of MA-XRF scanning for the characterisation of stained glass windows prior to any conservation or restoration procedure, (2) to assess the applicability of MA-XRPD scanning to identify the degradation products formed on the surface of stained glass windows, (3) to establish a method to limit the set of sampled glass fragments taken from a glass panel for quantititive analysis while maintaining sufficient representativeness and (4) to distinguish the original glass panes and grisaille paint from non-original glass panes that were inserted during various past interventions. Most of the panes in this window proved to consist of medieval potash glass, consistent with the 13th c. origin of the window while a limited number of panes were identified as non-original infills, with divergent glass compositional types and/or colorants. Most panes derive their color from the pot metal glass (i.e. homogenously colored) they were made of. Some of the panes that originally had a red flashed layer on their surface, completely or partially lost this layer due to weathering. Three main compositional glass families with similar color could be defined. With the exception of the yellow and orange panes, the chromophoric elements responsible for the dark(er) and light(er) blue (Co), green (Cu), purple (Mn) and red colors (Cu) were identified. Two different grisaille paints were encountered, part of which were restored during the 19th century. On the basis of this information, all missing pieces were replaced by glass panes with appropriate colors and the panel could be successfully conserved to its former glory. On the surface of several panes, typical glass degradation products such as calcite, syngenite and gypsum were identified, together with lead based degradation products such as anglesite and palmierite. In addition, the presence of hematite and melanotekite in the grisailles was observed; also the presence of Zn, uncorrelated to Cu, in the grissailes on the right side of the window became apparent.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000850000900001 Publication Date 2022-02-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0026-265x; 0026-265x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.8 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 4.8
Call Number UA @ admin @ c:irua:187493 Serial 7138
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Author Yang, T.; Kong, Y.; Du, Y.; Li, K.; Schryvers, D.
Title Discovery of core-shell quasicrystalline particles Type A1 Journal article
Year 2023 Publication Scripta materialia Abbreviated Journal
Volume 222 Issue (down) Pages 115040-115046
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Submicron-sized quasicrystalline particles were obtained in an Al-Zn-Mg-Cu alloy produced by traditional melting. These particles consist of an Al-Fe-Ni core and a Mg-Cu-Zn shell and were found to be stable and embedded randomly in the Al matrix. The diffraction patterns of these core-shell particles reveal a decagonal core and an icosahedral shell with, respectively, ten- and five-fold axes aligned. High resolution scanning transmission electron microscopy of the Mg-Cu-Zn shell confirms the five-fold symmetry atomic arrangement and the icosahedral structure. It can therefore be concluded that Fe and Ni impurities play an important role in mediating the formation of such an unusual ternary core-shell quasicrystalline particle. These findings provide some novel insights in the formation of quasicrystals in traditional industrial Al alloys.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000864491400005 Publication Date 2022-09-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1359-6462 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 6; 2023 IF: 3.747
Call Number UA @ admin @ c:irua:191489 Serial 7144
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Author Berdiyorov, G.R.; Peeters, F.M.; Hamoudi, H.
Title Effect of edge groups on the electronic transport properties of tetrapodal diazatriptycene molecule Type A1 Journal article
Year 2022 Publication Physica. E: Low-dimensional systems and nanostructures Abbreviated Journal Physica E
Volume 141 Issue (down) Pages 115212-115216
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract We conduct ballistic transport calculations to study the electronic transport properties of diazatriptycene molecule which can be self-assembled on metallic surfaces with uniform coverage and upright orientation of the functional head group. Due to its structural asymmetry, the molecule shows a clear current rectification, where the level of the rectification depends on the nature of the head group. For example, current rectification can be increased by more than a factor of 2 by anchoring the molecules to the electrode by CN functional group or introducing insulating CH2 group between the thiol end group and the adjacent phenyl ring. Our findings show the possibility of creating self-assembled monolayer of DAT molecules with controlled electronic transport properties through functionalization of the head group.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000806548600006 Publication Date 2022-03-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1386-9477 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.3 Times cited 1 Open Access Not_Open_Access
Notes Approved Most recent IF: 3.3
Call Number UA @ admin @ c:irua:189041 Serial 7147
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Author Berdiyorov, G.R.; Peeters, F.M.; Hamoudi, H.
Title Effect of halogenation on the electronic transport properties of aromatic and alkanethiolate molecules Type A1 Journal article
Year 2022 Publication Physica. E: Low-dimensional systems and nanostructures Abbreviated Journal Physica E
Volume 144 Issue (down) Pages 115428-6
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Quantum transport calculations are conducted using nonequilibrium Green's functional formalism to study the effect of halogenation on the electronic transport properties of aromatic S-(C6H5)(2)X and alkanethiolate S-(CH2)(11)X molecules (with X = H, F, Cl, Br, or I) sandwiched between gold electrodes. In terms of conductance, both molecules show the same dependence on the halogen terminal groups despite their different electronic nature. For example, fluorination results in a reduction of the current by almost an order of magnitude, whereas iodine substitution leads to larger current as compared to the reference system (i.e. hydrogen termination). Regarding the asymmetry in the current-voltage characteristics, halogenation reduces the rectification level for the aromatic molecule with the smallest asymmetry for iodine termination. However, in the case of alkanethiolate molecule, halogen substitution increases the current rectification except for fluorination. A physical explanation of these results is obtained from the analysis of the behavior of the density of states, transmission spectra and transmission eigenstates. These findings are of practical importance in exploring the potential of halogenation for creating functional molecular self-assemblies on metallic substrates.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000857051700007 Publication Date 2022-07-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1386-9477 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.3 Times cited 1 Open Access Not_Open_Access
Notes Approved Most recent IF: 3.3
Call Number UA @ admin @ c:irua:191500 Serial 7148
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Author Van Echelpoel, R.; Kranenburg, R.; van Asten, A.; De Wael, K.
Title Electrochemical detection of MDMA and 2C-B in ecstasy tablets using a selectivity enhancement strategy by in-situ derivatization Type A1 Journal article
Year 2022 Publication Forensic chemistry Abbreviated Journal
Volume 27 Issue (down) Pages 100383
Keywords A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
Abstract Forensic drug laboratories are confronted with increasing amounts of drugs and a demand for faster results that are directly available on-site. In addition, the drug market is getting more complex with hundreds of new psychoactive substances (NPS) entering the market in recent years. Rapid and on-scene presumptive drug testing therefore faces a shift from manual colorimetric tests towards approaches that can detect a wider range of components and process results automatically. Electrochemical detection offers these desired characteristics, making it a suitable candidate for on-site drug detection. In this study, a two-step electrochemical sensor is introduced for the detection of MDMA and 2C-B. Firstly, a direct electrochemical analysis was performed to detect MDMA. Validation experiments on over 70 substances revealed that 2C-B was the only frequently encountered drug that gave a false positive result for MDMA in this first analysis. A second step using in-situ derivatization was subsequently introduced. To this end, formaldehyde was used for N-methylation of 2C-B thereby enhancing its electrochemical profile. The enriched electrochemical fingerprint in the second step allowed for clear differentiation between MDMA and 2C-B. The applicability of this approach was demonstrated with 71 ecstasy tablets seized by the Amsterdam Police. The MDMA/2C-B sensor correctly identified all 39 MDMA-containing tablets and 10 out of 11 tablets containing 2C-B. Most notably, correct results were also obtained for dark colored tablets in which both spectroscopic analysis and colorimetric tests failed due to obscured signals.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000725708200002 Publication Date 2021-11-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2468-1709 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.7 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 2.7
Call Number UA @ admin @ c:irua:183340 Serial 7149
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Author Barich, H.; Cánovas, R.; De Wael, K.
Title Electrochemical identification of hazardous phenols and their complex mixtures in real samples using unmodified screen-printed electrodes Type A1 Journal article
Year 2022 Publication Journal of electroanalytical chemistry : an international journal devoted to all aspects of electrode kynetics, interfacial structure, properties of electrolytes, colloid and biological electrochemistry. Abbreviated Journal J Electroanal Chem
Volume 904 Issue (down) Pages 115878
Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
Abstract The electrochemical behavior of some of the most relevant endocrine-disrupting phenols using unmodified carbon screen-printed electrodes (SPEs) is described for the first time. Experiments were made to assess the electrochemical behavior of phenol (PHOH), pentachlorophenol (PCP), 4-tert octylphenol (OP) and bisphenol A (BPA) and their determination in the most favorable conditions, using voltammetric methods such as cyclic voltammetry (CV), linear sweep voltammetry (LSV) and square wave voltammetry (SWV) in Britton Robinson (BR) buffer. Further, the usefulness of the electrochemical approach was validated with real samples from a local river and was compared to commercial phenols test kit, which is commonly used for on-site screening in industrial streams and wastewaters. Finally, the approach was compared with a lab-bench standard method using real samples, i.e., high-performance liquid chromatography with a photodiode array detector (HPLC-DAD).
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000741151200005 Publication Date 2021-11-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1572-6657; 1873-2569 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.5 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 4.5
Call Number UA @ admin @ c:irua:184384 Serial 7150
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Author de Paula Miranda, L.
Title Electronic transport in two dimensional systems with defects Type Doctoral thesis
Year 2022 Publication Abbreviated Journal
Volume Issue (down) Pages 104 p.
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
Abstract The pursuit for the next generation of nanodevices made scientists focus the attention to two dimensional materials. Experimental works of two dimensional materials are hardly free of structural defects, which, in turn, modify drastically the physical properties of its defect-free counterpart. In this work the presence of structural defects is study in two different materials. First, the dependence of the Hall, bend and longitudinal resistances to a perpendicular magnetic field and to vacancy defects in a four-terminal phosphorene single layer Hall bar is investigated. A tight-binding model in combination with the Landauer-Büttiker formalism is used to calculate the energy spectrum, the lead-to-lead transmissions, and the Hall and bend resistances of the system. It is shown that the terminals with zigzag edge orientation are responsible for the absence of quantized plateaus in the Hall resistance and peaks in the longitudinal resistance. A negative bend resistance in the ballistic regime is found due to the presence of high- and low- energy transport modes in the armchair and zigzag terminals, respectively. The system density of states, with single vacancy defects, shows that the presence of in-gap states is proportional to the number of vacancies. Quantized plateaus in the Hall resistance are only formed in a sufficiently clean system. The effects of different kinds of vacancies in the regime where the quantized plateaus are destroyed and a diffusive regime appears in the bend resistance are investigated. Next, we explore effects due to point defect clustering on the electronic and transport properties of bilayer graphene nanoribbons, for AA and AB stacking and zigzag and armchair boundaries, by means of the tight-binding approach and scattering matrix formalism. Evidence of vacancy concentration signatures exhibiting a maximum amplitude and an universality regardless of the system size, stacking and boundary types, in the density of states around the zero-energy level are observed. Our results are explained via the coalescence analysis of the strong sizeable vacancy clustering effect in the system and the breaking of inversion symmetry at high vacancy densities, demonstrating a similar density of states for two equivalent degrees of concentration disorder, below and above the maximum value.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:191340 Serial 7151
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Author Spiller, M.; Moretti, M.; De Paepe, J.; Vlaeminck, S.E.
Title Environmental and economic sustainability of the nitrogen recovery paradigm : evidence from a structured literature review Type A1 Journal article
Year 2022 Publication Resources, conservation and recycling Abbreviated Journal Resour Conserv Recy
Volume 184 Issue (down) Pages 106406-106413
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Our economy drives on reactive nitrogen (Nr); while Nr emissions to the environment surpass the planetary boundary. Increasingly, it is advocated to recover Nr contained in waste streams and to reuse it ‘directly’ in the agri-food chain. Alternatively, Nr in waste streams may be removed as N2 and refixed via the Haber-Bosch process in an ‘indirect’ reuse loop. As a systematic sustainability analysis of ‘direct’ Nr reuse and its comparison to the ‘indirect’ reuse loop is lacking, this structured review aimed to analyze literature determining the environmental and economic sustainability of Nr recovery technologies. Bibliometric records were queried from 2000 to 2020 using Boolean search strings, and manual text coding. In total, 63 studies were selected for the review. Results suggest that ‘direct’ Nr reuse using Nr recovery technologies is the preferred paradigm as the majority of studies concluded that it is sustainable or that it can be sustainable depending on technological assumptions and other scenario variables. Only 17 studies compared the ‘direct’ with the ‘indirect’ Nr reuse route, therefore a system perspective in Nr recovery sustainability assessments should be more widely adopted. Furthermore, Nr reuse should also be analyzed in the context of a ‘new Nr economy’ that relies on decentralized Nr production from renewable energy. It is also recommended that on-par technology readiness level comparisons should be carried out, making use of technology development and technology learning methodologies. Finally, by-products of Nr recovery are important to be accounted for as they are reducing the environmental burdens through avoided impacts.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000804938100001 Publication Date 2022-05-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-3449 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 13.2 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 13.2
Call Number UA @ admin @ c:irua:188873 Serial 7156
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Author Kummamuru, N.B.; Verbruggen, S.W.; Lenaerts, S.; Perreault, P.
Title Experimental investigation of methane hydrate formation in the presence of metallic packing Type A1 Journal article
Year 2022 Publication Fuel Abbreviated Journal Fuel
Volume 323 Issue (down) Pages 124269-10
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Clathrate hydrates gained significant attention as a viable option for large-scale storage of natural gas, primarily methane (CH4). Unlike employing the nanoconfinement for enhancing the nucleation sites and hydrate growth as in the porous materials, whose synthesis is often associated with high costs and poor batch reproducibility, a new approach for promoting CH4 hydrates using pure water (H2O) in an unstirred reactor packed with stainless steel beads (SSB) was proposed in this fundamental work, where the interstitial space between the beads was exploited for enhanced hydrate growth. SSB of two diameters, 5 mm and 2 mm, were used as. a packed bed to investigate their effects on CH4 hydrate formation at 273.65 K, 275.65 K, and 277.65 K with an initial pressure of 6 MPa. The thermal conductivity of SSB packing potentially aided hydrate growth by expelling the hydration heat, while, the results also revealed that driving force has a substantial impact on the rate of CH4 hydrate formation and gas uptake. The experiments conducted in both 5 mm and 2 mm SSB packed bed reactors showed a maximum gas uptake of 0.147 mol CH4/mol H2O at 273.65 K with water to hydrate conversion of 84.42% with no significant variation. The results established the promotion effect on the kinetics of CH4 hydrate formation in the unstirred reactor packed with 2 mm SSB due to the availability of more interstitial space offering multiple nucleation sites for CH4 hydrate by providing a larger specific surface area for H2O-CH4 reaction. Experiments with varying H2O content were also performed and the results showed that the water to hydrate conversion and rate of hydrate formation could be enhanced at a lower H2O content in a packed bed reactor. This study demonstrates that the use of costly or intricate porous materials can be made redundant, by exploiting the interstitial voids in packing of cheap and widely available SSB as a promising alternative material for enhancing the kinetics of artificial CH4 hydrate synthesis.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000799165400007 Publication Date 2022-04-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0016-2361 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.4 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 7.4
Call Number UA @ admin @ c:irua:187830 Serial 7159
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Author Van Hoecke, L.; Boeye, D.; Gonzalez‐Quiroga, A.; Patience, G.S.; Perreault, P.
Title Experimental methods in chemical engineering : computational fluid dynamics/finite volume method–CFD/FVM Type A1 Journal article
Year 2022 Publication The Canadian journal of chemical engineering Abbreviated Journal Can J Chem Eng
Volume Issue (down) Pages 1-17
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Computational fluid dynamics (CFD) applies numerical methods to solve transport phenomena problems. These include, for example, problems related to fluid flow comprising the Navier--Stokes transport equations for either compressible or incompressible fluids together with turbulence models and continuity equations for single and multi-component (reacting and inert) systems. The design space is first segmented into discrete volume elements (meshing). The finite volume method, the subject of this article, discretizes the equations in time and space to produce a set of non-linear algebraic expressions that are assigned to each volume element-cell. The system of equations is solved iteratively with algorithms like the semi-implicit method for pressure-linked equations (SIMPLE) and the pressure implicit splitting of operators (PISO). CFD is especially useful for testing multiple design elements because it is often faster and cheaper than experiments. The downside is that this numerical method is based on models that require validation to check their accuracy. According to a bibliometric analysis, the broad research domains in chemical engineering include: (1) dynamics and CFD-DEM (2) fluid flow, heat transfer and turbulence, (3) mass transfer and combustion, (4) ventilation and environment, and (5) design and optimization. Here, we review the basic theoretical concepts of CFD and illustrate how to set up a problem in the open-source software OpenFOAM to isomerize n-butane to i-butane in a notched reactor under turbulent conditions. We simulated the problem with 1000, 4000, and 16000 cells. According to the Richardson extrapolation, the simulation underestimates the adiabatic temperature rise by 7% with 16000 cells.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000859840100001 Publication Date 2022-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0008-4034; 1939-019x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.1 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 2.1
Call Number UA @ admin @ c:irua:189284 Serial 7160
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Author Nicolau, F.; Gielis, J.; Simeone, A.L.; Simoes Lopes, D.
Title Exploring and selecting supershapes in virtual reality with line, quad, and cube shaped widgets Type P1 Proceeding
Year 2022 Publication Abbreviated Journal
Volume Issue (down) Pages 21-28
Keywords P1 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Supershapes are used in Parametric Design to model, literally, thou-sands of natural and man-made shapes with a single 6 parameter formula. However, users are left to probe such a rich yet dense collection of supershapes using a set of independent 1-D sliders. Some of the formula’s parameters are non-linear in nature, making them particularly difficult to grasp with conventional 1-D sliders alone. VR appears as a promising setting for Parametric Design with supershapes since it empowers users with more natural visual inspection and shape browsing techniques, with multiple solutions being displayed at once and the possibility to design more interesting forms of slider interaction. In this work, we propose VR shape widgets that allow users to probe and select supershapes from a multitude of solutions. Our designs take leverage on thumbnails, mini-maps, haptic feedback and spatial interaction, while supporting 1-D, 2-D and 3-D supershape parameter spaces. We conducted a user study (N = 18) and found that VR shape widgets are effective, more efficient, and natural than conventional VR 1-D sliders while also usable for users without prior knowledge on supershapes. We also found that the proposed VR widgets provide a quick overview of the main supershapes, and users can easily reach the desired solution without having to perform fine-grain handle manipulations.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000828657500003 Publication Date 2022-04-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 978-1-6654-9617-9 ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access OpenAccess
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:188471 Serial 7161
Permanent link to this record
 

 
Author Dobrota, A.S.; Vlahovic, J.; V. Skorodumova, N.; Pasti, I.A.
Title First-principles analysis of aluminium interaction with nitrogen-doped graphene nanoribbons – from adatom bonding to various Type A1 Journal article
Year 2022 Publication Materials Today Communications Abbreviated Journal
Volume 31 Issue (down) Pages 103388-10
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Enhancing aluminium interaction with graphene-based materials is of crucial importance for the development of Al-storage materials and novel functional materials via atomically precise doping. Here, DFT calculations are employed to investigate Al interactions with non-doped and N-doped graphene nanoribbons (GNRs) and address the impact of the edge sites and N-containing defects on the material's reactivity towards Al. The presence of edges does not influence the energetics of Al adsorption significantly (compared to pristine graphene sheet). On the other hand, N-doping of graphene nanoribbons is found to affect the adsorption energy of Al to an extent that strongly depends on the type of N-containing defect. The introduction of edge-NO group and doping with in -plane pyridinic N result in Al adsorption nearly twice as strong as on pristine graphene. Moreover, double n-type doping via N and Al significantly alters the electronic structure of Al,N-containing GNRs. Our results suggest that selectively doped GNRs with pyridinic N can have enhanced Al-storage capacity and could be potentially used for selective Al electrosorption and removal. On the other hand, Al,N-containing GNRs with pyridinic N could also be used in resistive sensors for mechanical deformation. Namely, strain along the longitudinal axis of these dual doped GNRs does not affect the binding of Al but tunes the bandgap and causes more than 700-fold change in the conductivity. Thus, careful defect engineering and selective doping of GNRs with N (and Al) could lead to novel multifunctional materials with exceptional properties. [GRAPHICS]
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000820987400002 Publication Date 2022-03-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2352-4928 ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:189563 Serial 7163
Permanent link to this record
 

 
Author De Tommasi, E.; Rogato, A.; Caratelli, D.; Mescia, L.; Gielis, J.
Title Following the photons route : mathematical models describing the interaction of diatoms with light Type H1 Book chapter
Year 2022 Publication Abbreviated Journal
Volume Issue (down) Pages 1-53
Keywords H1 Book chapter; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract The interaction of diatoms with sunlight is fundamental in order to deeply understand their role in terrestrial ecology and biogeochemistry, essentially due to their massive contribution to global primary production through photosynthesis and its e↵ect on carbon, oxygen and silicon cycles. Following the journey of light through natural waters, its propagation through the intricate frustule micro- and nano-structure and, finally, its fate inside the photosynthetic machinery of the living cell requires several mathematical and computational models in order to accurately describe all the involved phenomena taking place at di↵erent space scales and physical regimes. In this chapter, we review the main analytical models describing the underwater optical field, the essential numerical algorithms for the study of photonic properties of the diatom frustule seen as a natural metamaterial, as well as the principal models describing photon harvesting in diatom plastids and methods for complex EM propagation problems and wave propagation in dispersive materials with multiple relaxation times. These mathematical methods will be integrated in a unifying geometric perspective.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN 978-1-119-74985-1 Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:186731 Serial 7165
Permanent link to this record
 

 
Author Ricci, P.E.; Gielis, J.
Title From Pythagoras to Fourier and from geometry to nature Type MA3 Book as author
Year 2022 Publication Abbreviated Journal
Volume Issue (down) Pages 146 p.
Keywords MA3 Book as author; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 2022-03-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN 978-90-832323-0-0; 978-90-832323-1-7 Additional Links UA library record
Impact Factor Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:186730 Serial 7166
Permanent link to this record
 

 
Author Jiang, J.
Title Ginzburg-Landau dynamical simulations on the nonreciprocal transport properties of two-dimensional superconductors Type Doctoral thesis
Year 2022 Publication Abbreviated Journal
Volume Issue (down) Pages XII, 79 p.
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
Abstract The nonreciprocal charge transport property which depends on the polarity of the applied current, such as the diode effect and the rectification effect, is of great importance for both theoretical research and engineering application. The nonreciprocal transport property in superconductors generally requires to break both the spatial inversion symmetry and the time-reversal symmetry, and therefore becomes one of the fundamental issues in superconductivity. Of particular interest, the superconducting diode effect, which exhibits one-way superconductivity, can potentially be applied to dissipationless diode devices, as a consequence has received extensive attention in recent years. In this Ph. D thesis, we simulate vortex dynamics with heat dissipation by numerically solving time-dependent Ginzburg-Landau equations and heat transfer equation. The nonreciprocal transport properties of the following three superconducting systems are studied. We study a superconducting film patterned with a conformal pinning array and find a giant rectification effect which is consistent with the experimental observation. In presence of the funneling effect due to the geometry of the conformal pinning array, Joule heating of the accumulating vortices creates hot spots and drives the sample to the normal state. Meanwhile, the density gradient of vortex does not match the gradient of pinning. The two mechanisms together lead to the giant rectification effect. We study the nonreciprocal charge transport property in a pinning-free superconducting nano-ring. We systematically calculate the response of the ratchet signal to various parameters in both D.C. and A.C. currents. By analyzing the vortex potential, we find that the nonreciprocal transport property is caused by the asymmetry potential barriers for vortex entry and exit. We study a superconductor/nanoscale-magnetic-dot hybrid structure. It takes advantage of the external current to control the nucleation of vortex-antivortex pairs, and can produce superconducting diode effect without applied magnetic fields. Our vortex dynamics simulation details the progress of the superconducting-normal phase transition due to motion of vortex pairs and heat dissipation. The nonreciprocal transport properties of the above three systems are all based on the broken symmetry of spatial inversion, which is caused by the anisotropic pinning array, the asymmetric geometry, and the nonuniform distribution of the magnetic field, respectively. The mechanisms we discuss in this thesis do not require special property of the materials and thus can be applied to any kinds of conventional superconductors. The present studies would provide solid theoretical basis for the future design and application of the dissipationless superconducting devices.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:188525 Serial 7168
Permanent link to this record
 

 
Author Oliveira, M.C.
Title Influence of phase-separated domains on the permeability of oxidized lipid membranes Type Doctoral thesis
Year 2022 Publication Abbreviated Journal
Volume Issue (down) Pages 151 p.
Keywords Doctoral thesis; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Biological membranes are under constant attack of reactive oxygen and nitrogen species (RONS), which may lead to a complex mixture of nitro-oxidized lipids that are responsible for structural and dynamic changes on the membrane. Because of that, nitro-oxidized lipids are also associated with several tumors and inflammatory and neurodegenerative diseases. Moreover, lipid oxidation may induce membrane phase-separated domains, which also drastically affect the membrane function. Evidence suggests that domain interfaces are “hot spots” for pore formation, but the underlying mechanisms remain elusive. There is an urgent need for an improved understanding of oxidation-induced phase separation on membrane properties. Likewise, the molecular structure at domain interfaces still needs to be elucidated. To evaluate the effect of lipid nitro-oxidation on the permeability of single-phase (homogeneous) and phase-separated (heterogeneous) phospholipid bilayers (PLBs), we performed atomistic molecular dynamics (MD) simulations using: (1) single-phase PLBs composed of several isomers of nitrated and/or oxidized lipids; (2) phase-separated PLBs composed of coexisting liquid ordered (Lo) and liquid disordered (Ld) domains, where the Ld domain is composed of non-oxidized and/or oxidized lipids. Our results show that nitrated lipids increase the membrane permeability of single-phase PLBs by three-fold compared to oxidized lipids. In addition, we show that oxidized lipids in the presence of nitrated lipids decrease the membrane permeability, suggesting an interaction between nitrated and oxidized lipids. Overall, the permeability of single-phase and phase-separated PLBs was comparable, and the presence of oxidized lipids increases the membrane permeability only in single-phase PLBs. Despite the latter, the presence of only 1.5% of lipid aldehydes at the Lo/Ld domain interfaces of phase-separated PLBs was able to increase the membrane permeability. In consequence of this, we also performed coarse-grained MD simulations to evaluate whether lipid aldehydes have a preference to accumulate at the interface between Lo/Ld domains. Our results show that lipid aldehydes derived from mono-unsaturated lipids accumulate at the interface, but those derived from poly-unsaturated lipids remain in the Ld domain. This study is of interest for photodynamic therapy and plasma medicine for cancer treatment, to understand the effects caused by RONS in cell membranes.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:191039 Serial 7173
Permanent link to this record
 

 
Author Hao, Y.
Title A joint experimental-modeling study of the structure and properties of functional molecular monolayers for the control of organic crystal growth Type Doctoral thesis
Year 2022 Publication Abbreviated Journal
Volume Issue (down) Pages xiii, 174 p.
Keywords Doctoral thesis; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Among all types of discovered crystals, those formed by organic molecules show the greatest diversity, which results from the intrinsic complexity of the organic molecules and the weak interactions between them. Even for a given compound, different crystal structures can exist. This feature is referred to as polymorphism in the modern crystallographic context and those different crystal forms are called polymorphs. In reality, the crystallization of organic molecules is often performed at the surface of a substrate, giving rise to heterogeneous crystallization. Except for the well-known catalyzing effects, the existence of substrates brings more possibilities to the polymorphic behaviors of organic molecules, promoting the formation of new polymorphs that are only stable in the vicinity of the substrates. For this reason, these new polymorphic forms are often described as substrate-induced polymorphs (SIPs). It is of great importance to understand the formation of SIPs for organic molecules as it has been reported that SIPs can show superior properties with respect to their bulk form counterparts. Up to now, most studies focus on the identifying and characterizing the presence of SIPs, which relies mainly on X-ray diffraction techniques. However, a detailed explanation about the origin of SIPs is still missing. In this work, we have combined several powerful experimental characterization techniques, including X-ray diffraction, transmission electron microscopy (TEM) and scanning tunneling microscopy (STM) in order to reach an integrated view over the formation of SIPs. These experimental studies are strongly supported by computational chemistry simulations, such as density functional theory and molecular dynamics. A big advantage of using atomistic simulations is that it enables the possibility to predict a priori the crystal structures of SIPs and to establish a posteriori the general rules for the formation of SIPs. In practice, this thesis employs state-of-art atomistic simulation approaches in order to bridge substrate-induced polymorphism with a conceptually-connected research area: the self-assembly of molecular networks (SAMNs), also called 2D crystallization. Unlike SIPs, which extend at least several molecular layers, SAMNs are composed of a single layer of molecules with ordered packing. Our simulations have enabled a more comprehensive understanding about the role of substrate during the formation of SIPs and we elucidate how the positional and orientational order of molecules propagates from the substrate to the upper 2D and even 3D crystal layers. In this way, a fundamental understanding of the substrate-induced crystallization is gained by connecting 2D and 3D crystallization using substrate-induced approaches.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:191758 Serial 7176
Permanent link to this record
 

 
Author Loomba, V.; Pourfallah, H.; Olsen, J.E.; Einarsrud, K.E.
Title Lab-scale physical model experiments to understand the effect of particle bed on tapping flow rates Type P1 Proceeding
Year 2022 Publication Abbreviated Journal
Volume Issue (down) Pages 159-170
Keywords P1 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 2022-02-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 978-3-030-92543-7; 2367-1181; 2367-1696; 978-3-030-92546-8; 978-3-030-92544-4 ISBN Additional Links UA library record
Impact Factor Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:186090 Serial 7177
Permanent link to this record
 

 
Author Gielis, J.; Grigolia, R.
Title Lamé curves and Rvachev's R-functions Type A3 Journal article
Year 2022 Publication Sn – 1512-0066 Abbreviated Journal
Volume 37 Issue (down) Pages 1-4
Keywords A3 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Gielis transformations are a generalization of Lame curves. To combine domains, we can make use of the natural alliance between Lame's work and Rvachev's R-functions. A logical next step is the extension to n-valued logic dening dierent partitions.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:189316 Serial 7178
Permanent link to this record
 

 
Author Vanmeert, F.; De Meyer, S.; Gestels, A.; Clerici, E.A.; Deleu, N.; Legrand, S.; Van Espen, P.; Van der Snickt, G.; Alfeld, M.; Dik, J.; Monico, L.; De Nolf, W.; Cotte, M.; Gonzalez, V.; Saverwyns, S.; Depuydt-Elbaum, L.; Janssens, K.
Title Non-invasive and non-destructive examination of artists’ pigments, paints and paintings by means of X-ray imaging methods Type H1 Book chapter
Year 2022 Publication Abbreviated Journal
Volume Issue (down) Pages 317-357
Keywords H1 Book chapter; Art; Antwerp Cultural Heritage Sciences (ARCHES); Antwerp X-ray Imaging and Spectroscopy (AXIS)
Abstract Recent studies in which X-ray beams of (sub)micrometre to millimetre dimensions have been used for non-destructive analysis and characterization of pigments, minute paint samples and/or entire paintings from fifteenth to twentieth century artists are discussed. The overview presented encompasses the use of laboratory and synchrotron radiation-based instrumentation and deals with the use of several variants of X-ray fluorescence (XRF) as a method of elemental analysis and imaging as well as with the combined use with X-ray diffraction (XRD). Microscopic XRF (μ-XRF) is a variant of the XRF method able to visualize the elemental distribution of key elements, mostly metals, on the scale from 1 μm to 100 μm present inside multi-layered micro samples taken from paintings. In the context of the characterization of artists’ pigments subjected to natural degradation, in many cases the use of methods limited to elemental analysis or imaging does not suffice to elucidate the chemical transformations that have taken place. However, at synchrotron facilities, combinations of μ-XRF with related methods such as μ-XAS (microscopic X-ray absorption spectroscopy) and μ-XRD have proven themselves to be very suitable for such studies. Since microscopic investigation of a relatively limited number of minute paint samples may not yield representative information about the complete artefact they were taken from, several methods for macroscopic, non-invasive imaging have recently been developed. Combined macroscopic XRF/XRD scanning is able to provide a fairly complete overview of the inorganic pigments employed to create a work of art, to answer questions about ongoing degradation phenomena and about its authenticity. As such these newly developed non-invasive and highly specific imaging methods are of interest for many cultural heritage stakeholders.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 2022-09-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN 978-3-030-86864-2 Additional Links UA library record
Impact Factor Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:190777 Serial 7183
Permanent link to this record
 

 
Author Ysebaert, T.; Samson, R.; Denys, S.
Title Parameterisation of the drag effect of climbers depending on wind speed and LAD Type A1 Journal article
Year 2022 Publication Sustainable Cities and Society Abbreviated Journal Sustain Cities Soc
Volume 84 Issue (down) Pages 103979-12
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract The implementation of green walls is increasingly seen as a strategy to tackle urban air pollution and to make cities more climate resilient. The correct description of the vegetation-wind interaction is key in describing the effect of vegetation in computational fluid dynamics (CFD) models. The accuracy of the modelled wind flow is highly linked to the uncertainty about the drag coefficient (C-d). In addition, at low wind speeds viscous drag (K) is not negligible and it should be regarded in CFD models. This research aims to address the uncertainty related to C-d and K by including the effect of climbers on both the momentum and turbulence equations in the Wilcox revised k-omega model. The change of K with increasing Reynolds number showed an increase from 5.10(-8 )m(2) up to the dynamic viscosity of air (asymptotic to 10(-5) m(2)) following a logistic function. Beyond the transition region from viscous to form drag, C-d, in the range of 0.1-1.1, declined with increasing Reynolds number following a power law function. Furthermore, the plant morphological parameters determining permeability and drag coefficient were identified. This study showed that the knowledge of viscous and shape resistance is necessary to obtain accurate statistics for air flow through vegetation.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000831685500001 Publication Date 2022-06-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2210-6707 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 11.7 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 11.7
Call Number UA @ admin @ c:irua:189465 Serial 7187
Permanent link to this record
 

 
Author Borah, R.
Title Photoactive nanostructures : from single plasmonic nanoparticles to self-assembled films Type Doctoral thesis
Year 2022 Publication Abbreviated Journal
Volume Issue (down) Pages xxxiv, 220 p.
Keywords Doctoral thesis; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Photoactive nanoparticles and their light-driven applications have gained tremendous scientific attention towards remediation of the global environmental problems, meeting alternative energy demands, and other new technological discoveries. The research work presented in this dissertation includes a fundamental investigation of such nanoparticles to gain deeper insights that will ultimately benefit their application. In particular, the study of plasmonic metal nanoparticles and metal oxide nanoparticles for light driven applications is the major theme of this work. The investigation begins with isolated plasmonic Au and Ag nanoparticles, followed by a natural extension to nanoparticle clusters, and then further to nanoparticle films. Next, the application of such plasmonic nanoparticle films for gaseous phase sensing of volatile organic compounds is explored. Finally, the film formation of metal-oxide nanoparticles by self-assembly is investigated for the fabrication of photoactive functional interfaces. The fundamental theoretical investigation of the isolated plasmonic nanoparticles encompasses alloy and core-shell nanostructures of Au-Ag bimetallic compositions. First, the optical properties of bimetallic alloy and core-shell nanoparticles are compared for different structures such as nanospheres, nanotriangles and nanorods. Based on the optical properties, the photothermal properties of these nanostructures are also evaluated for relevant light-driven applications. Further, to bridge the gap between the theoretical and experimental optical properties of colloidal plasmonic nanoparticles, the effect of different statistical parameters pertaining to the particle size distribution is studied. Going from isolated nanoparticles to nanoparticle clusters, the changes in the optical properties of plasmonic nanoparticles when they form finite clusters is investigated. A strong effect of clustering on the absorption intensities of the nanoparticles and hence, on the photothermal properties is found. Next, for the study of plasmonic nanoparticle infinite arrays, Au and Ag nanoparticles films are experimentally obtained by the self-assembly at the air-ethylene glycol interface. Upon further validation of the computational models with the experimental optical properties of these films, the near-field and far-field optical response of the plasmonic nanoparticle arrays is investigated. An application of the self-assembled Au nanoparticle film is then demonstrated in the sensing of volatile organic compounds (VOCs). Finally, the focus is shifted from plasmonic nanoparticles to metal oxide nanoparticles for their self-assembly at the air-water interface to obtain self-assembled films. For this, the hydrophobic functionalization of four metal oxides nanoparticles namely, TiO2, ZnO, WO3 and CuO is investigated. The insights from this work is useful for the design and fabrication of functional nanoparticles and interfaces for light driven applications.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:189155 Serial 7188
Permanent link to this record
 

 
Author Van Hal, M.; Lenaerts, S.; Verbruggen, S.W.
Title Photocatalytic soot degradation under UV and visible light Type A1 Journal article
Year 2022 Publication Environmental Science and Pollution Research Abbreviated Journal Environ Sci Pollut R
Volume Issue (down) Pages 1-11
Keywords A1 Journal article; Engineering sciences. Technology
Abstract Particulate matter is one of the most persistent global air pollutants that is causing health problems, climate disturbance and building deterioration. A sustainable technique that is able to degrade soot using (sun)light is photocatalysis. Currently, research on photocatalytic soot oxidation focusses on large band gap TiO2-based photocatalysts and thus requires the use of UV light. It would prove useful if visible light, and thus a larger fraction of the (freely available) solar spectrum, could additionally be utilised to drive this process. In this work, a visible light-active photocatalyst, WO3, is benchmarked to TiO2 under both UV and visible light. At the same time, the versatility and drastic improvement of a recently introduced digital image-based soot degradation detection method are demonstrated. An additional step correcting for non-soot related catalyst colour changes is applied, resulting in accurate detection and quantification of soot degradation for all studied photocatalysts, even for materials such as WO3 that are inherently coloured. With this study, we aim to broaden the scope of photocatalytic soot oxidation technology to visible light-active photocatalyst. Along with this study, we provide a versatile soot degradation detection methodology based on digital image analysis that is made widely applicable.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000871854600010 Publication Date 2022-10-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0944-1344; 1614-7499 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.8 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 5.8
Call Number UA @ admin @ c:irua:191275 Serial 7189
Permanent link to this record
 

 
Author van 't Veer, K.C.
Title Plasma kinetics modelling of nitrogen fixation : ammonia synthesis in dielectric barrier discharges with catalysts Type Doctoral thesis
Year 2022 Publication Abbreviated Journal
Volume Issue (down) Pages 241 p.
Keywords Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Ammonia (NH3) synthesis is crucial for the production of artificial fertilizer and is carried out through the Haber-Bosch process. With an energy consumption of 30 GJ/t-NH3 and the emission of 2 kg-CO2/kg-NH3, ammonia is the chemical with the largest environmental footprint. Haber-Bosch operates under high pressure and high temperature conditions. Plasma technology potentially allows greener ammonia production. Dielectric barrier discharges are a popular plasma source in which a catalyst is easily incorporated. The combination of plasma and catalyst can circumvent the harsh reaction conditions of the Haber-Bosch process. Plasma kinetics modelling is used to gain insight into the mechanisms of such plasma-catalytic systems. Special attention is given to the instantaneous power absorbed by the electrons, the relevant fraction of the microdischarges and the discharge volumes. The importance of vibrational excitation is investigated. Depending on the exact discharge conditions, it was found that both the strong microdischarges and vibrational excitation can be simultaneously important for the ammonia yield. The temporal behavior of filamentary dielectric barrier discharges was explicitly taken into account. Ammonia was found to decompose during the microdischarges due to electron impact dissociation. At the same time atomic nitrogen and other excited species are created. Those reactive species recombine to ammonia in the afterglow through various elementary Eley-Rideal and Langmuir-Hinshelwood surface reaction steps with a net ammonia gain. Finally, the concept of the fraction of microdischarges was generalized. It directly represents the efficiency with which the applied electric power is transferred to each individual particle in the plasma reactor. It is argued that any type of spatial or temporal non-uniformity of the plasma will cause unequal treatment of the gas molecules in the reactor, corresponding to a lower efficiency at which the power is transferred to the gas molecules. All of those insights aid in an increased understanding of plasma-catalytic ammonia synthesis as a potential green chemistry solution to the synthesis of ammonia on small scale.  
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:188246 Serial 7193
Permanent link to this record
 

 
Author Dingenen, F.; Borah, R.; Ninakanti, R.; Verbruggen, S.W.
Title Probing oxygen activation on plasmonic photocatalysts Type A1 Journal article
Year 2022 Publication Frontiers in Chemistry Abbreviated Journal Front Chem
Volume 10 Issue (down) Pages 988542-10
Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Abstract In this work we present an assay to probe the oxygen activation rate on plasmonic nanoparticles under visible light. Using a superoxide-specific XTT molecular probe, the oxygen activation rate on bimetallic gold-silver “rainbow” nanoparticles with a broadband visible light (> 420 nm) response, is determined at different light intensities by measuring its conversion into the colored XTT-formazan derivate. A kinetic model is applied to enable a quantitative estimation of the rate constant, and is shown to match almost perfectly with the experimental data. Next, the broadband visible light driven oxygen activation capacity of this plasmonic rainbow system, supported on nano-sized SiO 2 , is demonstrated towards the oxidation of aniline to azobenzene in DMSO. To conclude, a brief theoretical discussion is devoted to the possible mechanisms behind such plasmon-driven reactions.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000860818400001 Publication Date 2022-09-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2296-2646 ISBN Additional Links UA library record; WoS full record
Impact Factor 5.5 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 5.5
Call Number UA @ admin @ c:irua:190868 Serial 7197
Permanent link to this record
 

 
Author Spanoghe, J.
Title Purple bacteria cultivation on light, carbon dioxide and hydrogen gas : exploring and tuning the potential for microbial food production Type Doctoral thesis
Year 2022 Publication Abbreviated Journal
Volume Issue (down) Pages vi, 207 p.
Keywords Doctoral thesis; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract The human population is projected to grow to 9.7 billion by 2050, resulting in an estimated increase in protein demand of 50%. From an environmental perspective, the current and future demand of protein cannot be sustainably met as the conventional food production chain is severely altering biogeochemical cycles of nitrogen and phosphorus, biodiversity and land-use, with flows towards the biosphere and oceans that are exceeding the planetary boundaries. Microbial protein (protein derived from microorganisms) has been suggested as an excellent sustainable protein source, a fortiori when produced in a land- and fossil free manner. The photoautohydrogenotrophic cultivation (i.e. with light, CO2 and H2) of purple bacteria links up perfectly with the upcoming green electrification of industry (green H2) and the need for carbon capture and utilization. However, this metabolism represented a gap in literature, and thus this thesis aimed to establish a basic knowledge platform on its kinetic, stoichiometric and nutritional performance. At first, three originally photoheterotrophically enriched purple bacteria were studied of which Rhodobacter capsulatus reached the highest protein productivity of 0.16 g protein/L/d, which aligned well with the commonly-known photoautotrophic microalgae. Moreover, a full dietary essential amino acid match was found for human food, while the fatty acid content was dominated by the health-stimulating vaccenic acid (82-86%). Lastly, the achieved protein yield in photoautohydrogenotrophic purple bacteria was 2.3 times higher compared to hydrogen oxidizing bacteria, indicating a resource-efficient use of H2. Next, a photoautohydrogenotrophic enrichment of wastewater treatment microbiomes was performed in search for specialist species. While the isolates of this enrichment showed improvements in their performance during acclimation, the kinetic and nutritional performance of Rhodobacter capsulatus still excelled. Subsequently, the influence of nutrient limitations (C or N) and nitrogen gas fixation was studied on the nutritional tuning potential. Both the limitations as well as the N2 fixation resulted in the shift of the essential amino acid profiles. Additionally, the limitations significantly decreased the pigment content, while an increase in the storage of poly-P was seen in case of carbon limitations. The next major challenge was the production intensification in a photobioreactor of which the design was linked to minimizing both H2 and light limitations. The chosen bubble-column photobioreactor already resulted in a doubled biomass productivity. Finally, the remaining technological and non-technological challenges ahead for the production of a high-value, cost-efficient, environment-friendly microbial protein that complies with legislative requirements and appeals to future consumers were discussed.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN 978-90-5728-741-1 Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:188233 Serial 7198
Permanent link to this record
 

 
Author Spanoghe, J.; Ost, K.J.; Van Beeck, W.; Vermeir, P.; Lebeer, S.; Vlaeminck, S.E.
Title Purple bacteria screening for photoautohydrogenotrophic food production : are new H₂-fed isolates faster and nutritionally better than photoheterotrophically obtained reference species? Type A1 Journal article
Year 2022 Publication New biotechnology Abbreviated Journal New Biotechnol
Volume 72 Issue (down) Pages 38-47
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Photoautohydrogenotrophic enrichments of wastewater treatment microbiomes were performed to obtain hypothetically high-potential specialist species for biotechnological applications. From these enrichment cultures, ten photoautohydrogenotrophic species were isolated: six Rhodopseudomonas species, three Rubrivivax members and Rhodobacter blasticus. The performance of these isolates was compared to three commonly studied, and originally photoheterotrophically enriched species (Rhodopseudomonas palustris, Rhodobacter capsulatus and Rhodobacter sphaeroides), designated as reference species. Repeated subcultivations were applied to improve the initial poor performance of the isolates (acclimation effect), which resulted in increases in both maximum growth rate and protein productivity. However, the maximum growth rate of the reference species remained 3–7 times higher compared to the isolates (0.42–0.84 d−1 at 28 °C), while protein productivities remained 1.5–1.7 times higher. This indicated that H2-based enrichment did not result in photoautohydrogenotrophic specialists, suggesting that the reference species are more suitable for intensified biomass and protein production. On the other hand, the isolates were able to provide equally high protein quality profiles as the references species, providing full dietary essential amino acid matches for human food. Lastly, the effect of metabolic carbon/electron switching (back and forth between auto- to heterotrophic conditions) initially boosted µmax when returning to photoautohydrogenotrophic conditions. However, the switch negatively impacted lag phase, protein productivities and pigment contents. In the case of protein productivity, the acquired acclimation was partially lost with decreases of up to 44 % and 40 % respectively for isolates and reference species. Finally, the three reference species, and specifically Rh. capsulatus, remained the most suitable candidate(s) for further biotechnological development.
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Publisher Place of Publication Editor
Language Wos 000861078800005 Publication Date 2022-08-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1871-6784; 1876-4347 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.4 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 5.4
Call Number UA @ admin @ c:irua:190188 Serial 7199
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