| Records |
| Author |
Lelouche, S.N.K.; Lemir, I.; Biglione, C.; Craig, T.; Bals, S.; Horcajada, P. |
| Title |
AuNP/MIL-88B-NH₂ nanocomposite for the valorization of nitroarene by green catalytic hydrogenation |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Chemistry: a European journal |
Abbreviated Journal |
|
| Volume |
|
Issue  |
|
Pages |
1-10 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
The efficiency of a catalytic process is assessed based on conversion, yield, and time effectiveness. However, these parameters are insufficient for evaluating environmentally sustainable research. As the world is urged to shift towards green catalysis, additional factors such as reaction media, raw material availability, sustainability, waste minimization and catalyst biosafety, need to be considered to accurately determine the efficacy and sustainability of the process. By combining the high porosity and versatility of metal organic frameworks (MOFs) and the activity of gold nanoparticles (AuNPs), efficient, cyclable and biosafe composite catalysts can be achieved. Thus, a composite based on AuNPs and the nanometric flexible porous iron(III) aminoterephthalate MIL-88B-NH2 was successfully synthesized and fully characterized. This nanocomposite was tested as catalyst in the reduction of nitroarenes, which were identified as anthropogenic water pollutants, reaching cyclable high conversion rates at short times for different nitroarenes. Both synthesis and catalytic reactions were performed using green conditions, and even further tested in a time-optimizing one-pot synthesis and catalysis experiment. The sustainability and environmental impact of the catalytic conditions were assessed by green metrics. Thus, this study provides an easily implementable synthesis, and efficient catalysis, while minimizing the environmental and health impact of the process. |
| Address |
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| Corporate Author |
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Thesis |
|
| Publisher |
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Place of Publication |
|
Editor |
|
| Language |
|
Wos |
001204094600001 |
Publication Date |
2024-03-22 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0947-6539 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
4.3 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 4.3; 2024 IF: 5.317 |
| Call Number |
UA @ admin @ c:irua:205426 |
Serial |
9135 |
| Permanent link to this record |
| |
|
| |
| Author |
Osorio-Tejada, J.; Escriba-Gelonch, M.; Vertongen, R.; Bogaerts, A.; Hessel, V. |
| Title |
CO₂ conversion to CO via plasma and electrolysis : a techno-economic and energy cost analysis |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Energy & environmental science |
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
|
| Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Electrification and carbon capture technologies are essential for achieving net-zero emissions in the chemical sector. A crucial strategy involves converting captured CO2 into CO, a valuable chemical feedstock. This study evaluates the feasibility of two innovative methods: plasma activation and electrolysis, using clean electricity and captured CO2. Specifically, it compares a gliding arc plasma reactor with an embedded novel carbon bed system to a modern zero-gap type low-temperature electrolyser. The plasma method stood out with an energy cost of 19.5 GJ per tonne CO, marking a 43% reduction compared to electrolysis and conventional methods. CO production costs for plasma- and electrolysis-based plants were $671 and $962 per tonne, respectively. However, due to high uncertainty regarding electrolyser costs, the CO production costs in electrolysis-based plants may actually range from $570 to $1392 per tonne. The carbon bed system in the plasma method was a key factor in facilitating additional CO generation from O-2 and enhancing CO2 conversion, contributing to its cost-effectiveness. Challenges for electrolysis included high costs of equipment and low current densities. Addressing these limitations could significantly decrease production costs, but challenges arise from the mutual relationship between intrinsic parameters, such as CO2 conversion, CO2 input flow, or energy cost. In a future scenario with affordable feedstocks and equipment, costs could drop below $500 per tonne for both methods. While this may be more challenging for electrolysis due to complexity and expensive catalysts, plasma-based CO production appears more viable and competitive. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
001218045900001 |
Publication Date |
2024-05-06 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1754-5692; 1754-5706 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
32.5 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 32.5; 2024 IF: 29.518 |
| Call Number |
UA @ admin @ c:irua:205986 |
Serial |
9138 |
| Permanent link to this record |
| |
|
| |
| Author |
Ahmadi Eshtehardi, H. |
| Title |
Combined computational-experimental study on plasma and plasma catalysis for N2 fixation |
Type |
Doctoral thesis |
| Year |
2024 |
Publication |
|
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
160 p. |
| Keywords |
Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Humanity feels the urge of shifting to a sustainable society more than at any other time in its history. Electrification of chemical industry plays a key role in this transition. The possibility of producing fertilizers from air using renewable electricity, and simultaneously, no greenhouse gas emission, resulted in an increasing interest toward plasma technology as a solution for electrification of a part of the chemical industry in the past few years. Additionally, the activation of nitrogen molecules by vibrational and electronic excitation reactions in plasma can lead to an energy-efficient process. Last but not least, the modularity (fast on/off characteristic) of plasma technology makes it capable of using intermittent renewable electricity on site for the production of fertilizers using air. All these advantages offered by plasma technology make it a potential solution for the on-site production of fertilizers in small and decentralized plants using air and renewable electricity, which leads to a considerable reduction in fertilizer production and transportation costs. However, industrialization of plasma-based NF suffers from several challenges, including challenges of plasma catalysis for the selective production of desired species, the high energy cost of plasma-based NF compared to current industrial processes, and the design and development of scaled up and energy-efficient plasma reactors for industrial purposes. In the framework of this thesis we have tried to add to the state-of-the-art (SOTA) in plasma-based NOx production and deal with its limitations using a combination of experimental and modelling work. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
|
Publication Date |
2024-06-14 |
| 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:205246 |
Serial |
9139 |
| Permanent link to this record |
| |
|
| |
| Author |
Yao, W.; Hui, C.; Wang, L.; Wang, J.; Gielis, J.; Shi, P. |
| Title |
Comparison of the performance of two polar equations in describing the geometries of elliptical fruits |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Botany letters |
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
|
| Keywords |
A1 Journal article; Antwerp engineering, PhotoElectroChemistry & Sensing (A-PECS) |
| Abstract |
In nature, the two-dimensional (2D) profiles of fruits from many plants often resemble ellipses. However, it remains unclear whether these profiles strictly adhere to the ellipse equation, as many natural shapes resembling ellipses are actually better described as superellipses. The superellipse equation, which includes an additional parameter n compared to the ellipse equation, can generate a broader range of shapes, with the ellipse being just a special case of the superellipse. To investigate whether the 2D profiles of fruits are better described by ellipses or superellipses, we collected a total of 751 mature and undamaged fruits from 31 naturally growing plants of Cucumis melo L. var. agrestis Naud. Our analysis revealed that most adjusted root-mean-square errors (> 92% of the 751 fruits) for fitting the superellipse equation to the fruit profiles were consistently less than 0.0165. Furthermore, there were 638 of the 751 fruits (ca. 85%) with the 95% confidence intervals of the estimated parameter n in the superellipse equation not including 2. These findings suggest that the profiles of C. melo var. agrestis fruits align more closely with the superellipse equation than with the ellipse equation. This study provides evidence for the existence of the superellipse in fruit profiles, which has significant implications for studying fruit geometries and estimating fruit volumes using the solid of revolution formula. Furthermore, this discovery may contribute to a deeper understanding of the mechanisms driving the evolution of fruit shapes. |
| Address |
|
| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
001219634500001 |
Publication Date |
2024-05-08 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2381-8107; 2381-8115 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
1.5 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.5; 2024 IF: NA |
| Call Number |
UA @ admin @ c:irua:205955 |
Serial |
9140 |
| Permanent link to this record |
| |
|
| |
| Author |
Khan, S.U.; Matshitse, R.; Borah, R.; Nemakal, M.; Moiseeva, E.O.; Dubinina, T.V.; Nyokong, T.; Verbruggen, S.W.; De Wael, K. |
| Title |
Coupling of phthalocyanines with plasmonic gold nanoparticles by click chemistry for an enhanced singlet oxygen based photoelectrochemical sensing |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
ChemElectroChem |
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
1-11 |
| Keywords |
A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab); Antwerp engineering, PhotoElectroChemistry & Sensing (A-PECS) |
| Abstract |
Coupling photosensitizers (PSs) with plasmonic nanoparticles increases the photocatalytic activity of PSs as the localized surface plasmon resonance (LSPR) of plasmonic nanoparticles leads to extreme concentration of light in their vicinity known as the near-field enhancement effect. To realize this in a colloidal phase, efficient conjugation of the PS molecules with the plasmonic nanoparticle surface is critical. In this work, we demonstrate the coupling of phthalocyanine (Pc) molecules with gold nanoparticles (AuNPs) in the colloidal phase via click chemistry. This conjugated Pc-AuNPs colloidal system is shown to enhance the photocatalytic singlet oxygen (1O2) production over non-conjugated Pcs and hence improve the photoelectrochemical detection of phenols. The plasmonic enhancement of the 1O2 generation by Pcs was clearly elucidated by complementary experimental and computational classical electromagnetic models. The dependence of plasmonic enhancement on the spectral position of the excitation laser wavelength and the absorbance of the Pc molecules with respect to the wavelength specific near-field enhancement is clearly demonstrated. A high similar to 8 times enhancement is obtained with green laser (532 nm) at the LSPR due to the maximum near-field enhancement at the resonance wavelength. Zinc phthalocyanine is covalently linked to plasmonic AuNPs via click chemistry to investigate the synergistic effect that boosts the overall activity toward the detection of HQ under visible light illumination. The 1O2 quantum yield of ZnPc improved significantly after conjugating with AuNPs, resulting in enhanced photoelectrochemical activity. image |
| Address |
|
| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
001214481000001 |
Publication Date |
2024-05-02 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2196-0216 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
4 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 4; 2024 IF: 4.136 |
| Call Number |
UA @ admin @ c:irua:205962 |
Serial |
9142 |
| Permanent link to this record |
| |
|
| |
| Author |
Cioni, M.; Delle Piane, M.; Polino, D.; Rapetti, D.; Crippa, M.; Arslan Irmak, E.; Pavan, G.M.; Van Aert, S.; Bals, S. |
| Title |
Data for Sampling Real‐Time Atomic Dynamics in Metal Nanoparticles by Combining Experiments, Simulations, and Machine Learning |
Type |
Dataset |
| Year |
2024 |
Publication |
|
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
|
| Keywords |
Dataset; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
Even at low temperatures, metal nanoparticles (NPs) possess atomic dynamics that are key for their properties but challenging to elucidate. Recent experimental advances allow obtaining atomic‐resolution snapshots of the NPs in realistic regimes, but data acquisition limitations hinder the experimental reconstruction of the atomic dynamics present within them. Molecular simulations have the advantage that these allow directly tracking the motion of atoms over time. However, these typically start from ideal/perfect NP structures and, suffering from sampling limits, provide results that are often dependent on the initial/putative structure and remain purely indicative. Here, by combining state‐of‐the‐art experimental and computational approaches, how it is possible to tackle the limitations of both approaches and resolve the atomistic dynamics present in metal NPs in realistic conditions is demonstrated. Annular dark‐field scanning transmission electron microscopy enables the acquisition of ten high‐resolution images of an Au NP at intervals of 0.6 s. These are used to reconstruct atomistic 3D models of the real NP used to run ten independent molecular dynamics simulations. Machine learning analyses of the simulation trajectories allows resolving the real‐time atomic dynamics present within the NP. This provides a robust combined experimental/computational approach to characterize the structural dynamics of metal NPs in realistic conditions. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
|
Wos |
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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:205843 |
Serial |
9143 |
| Permanent link to this record |
| |
|
| |
| Author |
Morad, V.; Stelmakh, A.; Svyrydenko, M.; Feld, L.G.; Boehme, S.C.; Aebli, M.; Affolter, J.; Kaul, C.J.; Schrenker, N.J.; Bals, S.; Sahin, Y.; Dirin, D.N.; Cherniukh, I.; Raino, G.; Baumketner, A.; Kovalenko, M.V. |
| Title |
Designer phospholipid capping ligands for soft metal halide nanocrystals |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Nature |
Abbreviated Journal |
|
| Volume |
626 |
Issue |
|
Pages |
542-548 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
The success of colloidal semiconductor nanocrystals (NCs) in science and optoelectronics is inextricable from their surfaces. The functionalization of lead halide perovskite NCs1-5 poses a formidable challenge because of their structural lability, unlike the well-established covalent ligand capping of conventional semiconductor NCs6,7. We posited that the vast and facile molecular engineering of phospholipids as zwitterionic surfactants can deliver highly customized surface chemistries for metal halide NCs. Molecular dynamics simulations implied that ligand-NC surface affinity is primarily governed by the structure of the zwitterionic head group, particularly by the geometric fitness of the anionic and cationic moieties into the surface lattice sites, as corroborated by the nuclear magnetic resonance and Fourier-transform infrared spectroscopy data. Lattice-matched primary-ammonium phospholipids enhance the structural and colloidal integrity of hybrid organic-inorganic lead halide perovskites (FAPbBr3 and MAPbBr3 (FA, formamidinium; MA, methylammonium)) and lead-free metal halide NCs. The molecular structure of the organic ligand tail governs the long-term colloidal stability and compatibility with solvents of diverse polarity, from hydrocarbons to acetone and alcohols. These NCs exhibit photoluminescence quantum yield of more than 96% in solution and solids and minimal photoluminescence intermittency at the single particle level with an average ON fraction as high as 94%, as well as bright and high-purity (about 95%) single-photon emission. Phospholipids enhance the structural and colloidal integrity of hybrid organic-inorganic lead halide perovskites and lead-free metal halide nanocrystals, which then exhibit enhanced robustness and optical properties. |
| Address |
|
| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
|
Editor |
|
| Language |
|
Wos |
001176943100001 |
Publication Date |
2023-12-18 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0028-0836; 1476-4687 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
64.8 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 64.8; 2024 IF: 40.137 |
| Call Number |
UA @ admin @ c:irua:204796 |
Serial |
9144 |
| Permanent link to this record |
| |
|
| |
| Author |
De Luca, F.; Abate, S.; Bogaerts, A.; Centi, G. |
| Title |
Electrified CO2 conversion : integrating experimental, computational, and process simulation methods for sustainable chemical synthesis |
Type |
Doctoral thesis |
| Year |
2024 |
Publication |
|
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
xv, 152 p. |
| Keywords |
Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Nowadays, the burning of fossil fuels, particularly petroleum, natural gas, and coal, meets the rising need for power and fuels for automobiles and industries. This has given rise to ecological and climate challenges. This thesis explores these issues from three distinct perspectives: (i) experimental, (ii) computational, and (iii) process simulation, with a focus on studying CO2 as an alternative and economically viable raw material. Firstly, the experimental study is focused on the synthesis, characterization, and testing of novel catalysts for electroreduction of CO2 and oxalic acid, an intermediate product of CO2. Electrocatalysts based on Cu supported by citrus (orange and lemon) peel biomass are prepared. These catalysts exhibit activity in the electrochemical reduction of CO2, emphasizing the effectiveness of biomasses, particularly orange peels, as environmentally friendly precursors for sustainable and efficient electrocatalysts. In addition, graphitic carbon nitrides/TiO2 nanotubes (g-C3N4/TiNT) composites are prepared for the electrocatalytic reduction of oxalic acid to glycolic acid, revealing superior electrocatalytic properties compared to pristine TiNT. Characterization by X-ray diffraction, X-ray photoelectron spectroscopy, and scanning electronic microscopy were performed for all the prepared electrocatalysts. Delving into the reduction of CO2 on Cu catalysts, a computational study about the synthesis of methanol on Cu(111) surface is performed by using the Vienna Ab initio Simulation Package. A systematic study is carried out to define the activation energies of the elementary reactions by using mGGA DF. Consequently, it is shown that the rate-controlling step is CH3O* hydrogenation and the formate pathway on Cu(111) proceeds through the HCOOH* intermediate. Finally, the process simulation, performed by using the software Aspen Plus 11 from AspenTech Inc., is based on the comparison of a catalytic (oxidation of ethylene glycol) and an electrocatalytic process (CO2 electroreduction chain) to synthesize glycolic acid. An economic analysis of the operational and investment costs reveals that the catalytic process is more cost-effective due to the current instability of electrocatalysts and proton exchange membranes, resulting in increased maintenance costs and, consequently, higher prices for the product. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
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Publication Date |
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| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| 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:205262 |
Serial |
9147 |
| Permanent link to this record |
| |
|
| |
| Author |
Wu, X.; Ding, J.; Cui, W.; Lin, W.; Xue, Z.; Yang, Z.; Liu, J.; Nie, X.; Zhu, W.; Van Tendeloo, G.; Sang, X. |
| Title |
Enhanced electrical properties of Bi2-xSbxTe3 nanoflake thin films through interface engineering |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Energy & environment materials |
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
e12755-8 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
The structure-property relationship at interfaces is difficult to probe for thermoelectric materials with a complex interfacial microstructure. Designing thermoelectric materials with a simple, structurally-uniform interface provides a facile way to understand how these interfaces influence the transport properties. Here, we synthesized Bi2-xSbxTe3 (x = 0, 0.1, 0.2, 0.4) nanoflakes using a hydrothermal method, and prepared Bi2-xSbxTe3 thin films with predominantly (0001) interfaces by stacking the nanoflakes through spin coating. The influence of the annealing temperature and Sb content on the (0001) interface structure was systematically investigated at atomic scale using aberration-corrected scanning transmission electron microscopy. Annealing and Sb doping facilitate atom diffusion and migration between adjacent nanoflakes along the (0001) interface. As such it enhances interfacial connectivity and improves the electrical transport properties. Interfac reactions create new interfaces that increase the scattering and the Seebeck coefficient. Due to the simultaneous optimization of electrical conductivity and Seebeck coefficient, the maximum power factor of the Bi1.8Sb0.2Te3 nanoflake films reaches 1.72 mW m(-1) K-2, which is 43% higher than that of a pure Bi2Te3 thin film. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
|
Wos |
001204495900001 |
Publication Date |
2024-04-18 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
|
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:205438 |
Serial |
9148 |
| Permanent link to this record |
| |
|
| |
| Author |
Vlasov, E. |
| Title |
Exploiting secondary electrons in transmission electron microscopy for 3D characterization of nanoparticle morphologies |
Type |
Doctoral thesis |
| Year |
2024 |
Publication |
|
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
x, 118 p. |
| Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
| Abstract |
Electron tomography (ET) is an indispensable tool for determining the three-dimensional (3D) structure of nanomaterials in (scanning) transmission electron microscopy ((S)TEM). ET enables 3D characterization of a variety of nanomaterials across different fields, including life sciences, chemistry, solid-state physics, and materials science down to atomic resolution. However, the acquisition of a conventional tilt series for ET is a time-consuming process and thus cannot capture fast transformations of materials in realistic conditions. Moreover, only a limited number of nanoparticles (NPs) can be investigated, hampering a general understanding of the average properties of the material. Therefore, alternative characterization techniques that allow for high-resolution characterization of the surface structure without the need to acquire a full tilt series in ET are required which would enable a more time-efficient investigation with better statistical value. In the first part of this work, an alternative technique for the characterization of the morphology of NPs to improve the throughput and temporal resolution of ET is presented. The proposed technique exploits surface-sensitive secondary electron (SE) imaging in STEM employed using a modification of electron beam-induced current (EBIC) setup. The time- and dose efficiency of SEEBIC are tested in comparison with ET and superior spatial resolution is shown compared to conventional scanning electron microscopy. Finally, contrast artefacts arising in SEEBIC images are described, and their origin is discussed. The second part of my thesis focuses on real applications of the proposed technique and introduces a high-throughput methodology that combines images acquired by SEEBIC with quantitative image analysis to retrieve information about the helicity of gold nanorods. It shows that SEEBIC imaging overcomes the limitation of ET providing a general understanding of the connection between structure and chiroptical properties. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
|
Wos |
|
Publication Date |
2024-06-17 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| 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:204905 |
Serial |
9149 |
| Permanent link to this record |
| |
|
| |
| Author |
Ozdemir, I.; Arkin, H.; Milošević, M.V.; V. Barth, J.; Aktuerk, E. |
| Title |
Exploring the adsorption mechanisms of neurotransmitter and amino acid on Ti3C2-MXene monolayer : insights from DFT calculations |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Surfaces and interfaces |
Abbreviated Journal |
|
| Volume |
46 |
Issue |
|
Pages |
104169-9 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
In this study, we conducted a systematic density functional theory (DFT) investigation of the interaction between Ti3C2-MXene monolayer and biological molecules dopamine (DA) and serine (Ser) as neurotransmitter and amino acid, respectively. Our calculations show good agreement with previous literature findings for the optimized Ti3C2 monolayer. We found that DA and Ser molecules bind to the Ti3C2 surface with adsorption energies of -2.244 eV and -3.960 eV, respectively. The adsorption of Ser resulted in the dissociation of one H atom. Electronic density of states analyses revealed little changes in the electronic properties of the Ti3C2-MXene monolayer upon adsorption of the biomolecules. We further investigated the interaction of DA and Ser with Ti3C2 monolayers featuring surface -termination with OH functional group, and Ti -vacancy. Our calculations indicate that the adsorption energies significantly decrease in the presence of surface termination, with adsorption energies of -0.097 eV and -0.330 eV for DA and Ser, respectively. Adsorption energies on the Ti -vacancy surface, on the other hand, are calculated to be -3.584 eV and -3.856 eV for DA and Ser, respectively. Our results provide insights into the adsorption behavior of biological molecules on Ti3C2-MXene, demonstrating the potential of this material for biosensing and other biomedical applications. These findings highlight the importance of surface modifications in the development of functional materials and devices based on Ti3C2-MXene, and pave the way for future investigations into the use of 2D materials for biomedical applications. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
|
Wos |
001206950300001 |
Publication Date |
2024-03-08 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2468-0230 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
6.2 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 6.2; 2024 IF: NA |
| Call Number |
UA @ admin @ c:irua:205977 |
Serial |
9150 |
| Permanent link to this record |
| |
|
| |
| Author |
Xu, H.; Li, H.; Gauquelin, N.; Chen, X.; Wu, W.-F.; Zhao, Y.; Si, L.; Tian, D.; Li, L.; Gan, Y.; Qi, S.; Li, M.; Hu, F.; Sun, J.; Jannis, D.; Yu, P.; Chen, G.; Zhong, Z.; Radovic, M.; Verbeeck, J.; Chen, Y.; Shen, B. |
| Title |
Giant tunability of Rashba splitting at cation-exchanged polar oxide interfaces by selective orbital hybridization |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Advanced materials |
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
|
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
The 2D electron gas (2DEG) at oxide interfaces exhibits extraordinary properties, such as 2D superconductivity and ferromagnetism, coupled to strongly correlated electrons in narrow d-bands. In particular, 2DEGs in KTaO3 (KTO) with 5d t2g orbitals exhibit larger atomic spin-orbit coupling and crystal-facet-dependent superconductivity absent for 3d 2DEGs in SrTiO3 (STO). Herein, by tracing the interfacial chemistry, weak anti-localization magneto-transport behavior, and electronic structures of (001), (110), and (111) KTO 2DEGs, unambiguously cation exchange across KTO interfaces is discovered. Therefore, the origin of the 2DEGs at KTO-based interfaces is dramatically different from the electronic reconstruction observed at STO interfaces. More importantly, as the interface polarization grows with the higher order planes in the KTO case, the Rashba spin splitting becomes maximal for the superconducting (111) interfaces approximately twice that of the (001) interface. The larger Rashba spin splitting couples strongly to the asymmetric chiral texture of the orbital angular moment, and results mainly from the enhanced inter-orbital hopping of the t2g bands and more localized wave functions. This finding has profound implications for the search for topological superconductors, as well as the realization of efficient spin-charge interconversion for low-power spin-orbitronics based on (110) and (111) KTO interfaces. An unambiguous cation exchange is discovered across the interfaces of (001), (110), and (111) KTaO3 2D electron gases fabricated at room temperature. Remarkably, the (111) interfaces with the highest superconducting transition temperature also turn out to show the strongest electron-phonon interaction and the largest Rashba spin splitting. image |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
001219658400001 |
Publication Date |
2024-03-13 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0935-9648 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
29.4 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 29.4; 2024 IF: 19.791 |
| Call Number |
UA @ admin @ c:irua:206037 |
Serial |
9152 |
| Permanent link to this record |
| |
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| |
| Author |
Bampouli, A.; Goris, Q.; Hussain, M.N.; Louisnard, O.; Stefanidis, G.D.; Van Gerven, T. |
| Title |
Importance of design and operating parameters in a sonication system for viscous solutions : effects of input power, horn tip diameter and reactor capacity |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Chemical engineering and processing |
Abbreviated Journal |
|
| Volume |
198 |
Issue |
|
Pages |
109715-12 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
This study investigates the distribution of ultrasound (US) energy in a batch system for solutions with viscosity ranging from 1 to approximately 3000 mPas. Sonication was performed using horn type configurations operating at 20-30 kHz and rated power capacity of 50 or 200 W. Two different tip diameters (3 or 7 mm) and two insertion depths (35 or 25 mm) within vessels of different sizes ( approximate to 60 or 130 ml) were utilized. Additionally, a special conical tip design was employed. For each experimental setup, the calorimetric efficiency was estimated, the cavitationally active regions were visualized using the sonochemiluminescence (SCL) method and bubble cluster formation inside the vessel was macroscopically observed using a high speed camera (HSC). In the viscosity range tested, the calorimetry results showed that the efficiency and continuous operation of the device depend on both the rated power and the horn tip diameter. The ratio between electrical and calorimetric power input remained consistently around 40 to 50% across the different configurations for water, but for the 123.2 mPas solution exhibited significant variation ranging from 40 to 85%. Moreover, the power density in the smaller reactor was found to be nearly double compared to the larger one. The SCL analysis showed multiple cavitationally active zones in all setups, and the zones intensity decreased considerably with increase of the solutions viscosity. The results for the cone tip were not conclusive, but can be used as the basis for further investigation. The current research highlights the importance of thoroughly understanding the impact of each design parameter, and of establishing characterization methodologies to assist in the future development of scaled-up, commercial applications. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
001218630800001 |
Publication Date |
2024-02-21 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0255-2701 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
4.3 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 4.3; 2024 IF: 2.234 |
| Call Number |
UA @ admin @ c:irua:206003 |
Serial |
9154 |
| Permanent link to this record |
| |
|
| |
| Author |
Tsonev, I.; Ahmadi Eshtehardi, H.; Delplancke, M.-P.; Bogaerts, A. |
| Title |
Importance of geometric effects in scaling up energy-efficient plasma-based nitrogen fixation |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Sustainable energy & fuels |
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
1-19 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Despite the recent promising potential of plasma-based nitrogen fixation, the technology faces significant challenges in efficient upscaling. To tackle this challenge, we investigate two reactors, i.e., a small one, operating in a flow rate range of 5-20 ln min-1 and current range of 200-500 mA, and a larger one, operating at higher flow rate (100-300 ln min-1) and current (400-1000 mA). Both reactors operate in a pin-to-pin configuration and are powered by direct current (DC) from the same power supply unit, to allow easy comparison and evaluate the effect of upscaling. In the small reactor, we achieve the lowest energy cost (EC) of 2.8 MJ mol-1, for a NOx concentration of 1.72%, at a flow rate of 20 ln min-1, yielding a production rate (PR) of 33 g h-1. These values are obtained in air; in oxygen-enriched air, the results are typically better, at the cost of producing oxygen-enriched air. In the large reactor, the higher flow rates reduce the NOx concentration due to lower SEI, while maintaining a similar EC. This stresses the important effect of the geometrical configuration of the arc, which is typically concentrated in the center of the reactor, resulting in limited coverage of the reacting gas flow, and this is identified as the limiting factor for upscaling. However, our experiments reveal that by changing the reactor configuration, and thus the plasma geometry and power deposition mechanisms, the amount of gas treated by the plasma can be enhanced, leading to successful upscaling. To obtain more insights in our experiments, we performed thermodynamic equilibrium calculations. First of all, they show that our measured lowest EC closely aligns with the calculated minimum thermodynamic equilibrium at atmospheric pressure. In addition, they reveal that the limited NOx production in the large reactor results from the contracted nature of the plasma. To solve this limitation, we let the large reactor operate in so-called torch configuration. Indeed, the latter enhances the NOx concentrations compared to the pin-to-pin configuration, yielding a PR of 80 g h-1 at an EC of 2.9 MJ mol-1 and NOx concentration of 0.31%. This illustrates the importance of reactor design in upscaling. With the focus on feasibility evaluation of scaling-up plasma-based nitrogen fixation by combined experiments and thermodynamic modelling, we aim to tackle the challenge of design and development of an energy-efficient and scaled-up plasma reactor. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
001203657700001 |
Publication Date |
2024-04-11 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
|
ISBN |
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Additional Links |
UA library record; WoS full record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:205435 |
Serial |
9155 |
| Permanent link to this record |
| |
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| |
| Author |
Kummamuru, N.B. |
| Title |
Methane and hydrogen storage in clathrate hydrates |
Type |
Doctoral thesis |
| Year |
2024 |
Publication |
|
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
XXV, 260 p. |
| Keywords |
Doctoral thesis; Engineering sciences. Technology; Antwerp engineering, PhotoElectroChemistry & Sensing (A-PECS) |
| Abstract |
In a world increasingly reliant on alternative energy sources, the quest for efficient and secure storage solutions is paramount. This doctoral thesis explores the exciting potential of a familiar material – water – to act as a vault for next-generation energy sources like hydrogen (H2) and methane (CH4). Nature offers a solution in the form of clathrate hydrates, fascinating cage-like structures formed from water molecules that can trap these gas molecules within their framework. This research investigates on improving the formation kinetics and gas storage capabilities of clathrate hydrates utilizing porous materials and the interstitial space between non-porous materials to augment the contact between gas and water thereby catalysing the growth of hydrates and unlocking their full potential as efficient and secure energy storage reservoirs. A key outcome of this research is the formulation of an empirical correlation, offering predictive insights into CH4 hydrate phase equilibrium conditions. Innovative approaches utilizing thermally conductive beads have yielded substantial enhancements in CH4 uptake. Furthermore, the identification of optimal water content within porous materials showcases a pathway to maximize CH4 storage capacity and hydrate growth kinetics. In the domain of hydrogen storage, attention is also directed towards unstirred systems, where the integration of functionalized porous materials has demonstrated a significant improvement in the rate of hydrate formation and the overall H2 storage capacity. A noteworthy achievement of this research lies in the successful storage of H2 within confined CH4 hydrates through a gas exchange process and the preliminary results show the potential for safer and more sustainable method for H2 storage at mild thermodynamic conditions, offering promising prospects for future energy systems. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
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Publication Date |
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| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
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ISBN |
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Additional Links |
UA library record |
| Impact Factor |
|
Times cited |
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Open Access |
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| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:206258 |
Serial |
9160 |
| Permanent link to this record |
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| |
| Author |
Wang, G.; Xie, C.; Wang, H.; Li, Q.; Xia, F.; Zeng, W.; Peng, H.; Van Tendeloo, G.; Tan, G.; Tian, J.; Wu, J. |
| Title |
Mitigated oxygen loss in lithium-rich manganese-based cathode enabled by strong Zr-O affinity |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Advanced functional materials |
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
2313672 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
Oxygen loss is a serious problem of lithium-rich layered oxide (LLO) cathodes, as the high capacity of LLO relies on reversible oxygen redox. Oxygen release can occur at the surface leading to the formation of spinel or rock salt structures. Also, the lattice oxygen will usually become unstable after long cycling, which remains a major roadblock in the application of LLO. Here, it is shown that Zr doping is an effective strategy to retain lattice oxygen in LLO due to the high affinity between Zr and O. A simple sol-gel method is used to dope Zr4+ into the LLOs to adjust the local electronic structure and inhibit the diffusion of oxygen anions to the surface during cycling. Compared with untreated LLOs, LLO-Zr cathodes exhibit a higher cycling stability, with 94% capacity retention after 100 cycles at 0.4 C, up to 223 mAh g-1 at 1 C, and 88% capacity retention after 300 cycles. Theoretical calculations show that due to the strong Zr-O covalent bonding, the formation energy of oxygen vacancies has effectively increased and the loss of lattice oxygen under high voltage can be suppressed. This study provides a simple method for developing high-capacity and cyclability Li-rich cathode materials for lithium-ion batteries. Oxygen release can occur at the cathode surface leading to the formation of spinel or rock salt structures. Here, it is shown that Zr doping is an effective strategy to retain lattice oxygen in lithium-rich layered oxides (LLO) due to the high affinity between Zr and O. LLO-Zr exhibit higher cycling stability, with 88% capacity retention after 300 cycles at 1 C. image |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
001159843800001 |
Publication Date |
2024-02-10 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1616-301x |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
19 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 19; 2024 IF: 12.124 |
| Call Number |
UA @ admin @ c:irua:203812 |
Serial |
9161 |
| Permanent link to this record |
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| |
| Author |
Coulombier, M.; Baral, P.; Orekhov, A.; Dohmen, R.; Raskin, J.P.; Pardoen, T.; Cordier, P.; Idrissi, H. |
| Title |
On-chip very low strain rate rheology of amorphous olivine films |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Acta materialia |
Abbreviated Journal |
|
| Volume |
266 |
Issue |
|
Pages |
119693-12 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
Recent observations made by the authors revealed the activation of stress induced amorphization and sliding at grain boundary in olivine [1], a mechanism which is expected to play a pivotal role in the viscosity drop at the lithosphere-asthenosphere boundary and the brittle -ductile transition in the lithospheric mantle. However, there is a lack of information in the literature regarding the intrinsic mechanical properties and the elementary deformation mechanisms of this material, especially at time scales relevant for geodynamics. In the present work, amorphous olivine films were obtained by pulsed laser deposition (PLD). The mechanical response including the rate dependent behavior are investigated using a tension -on -chip (TOC) method developed at UCLouvain allowing to perform creep/relaxation tests on thin films at extremely low strain rates. In the present work, strain rate down to 10-12 s- 1 was reached which is unique. High strain rate sensitivity of 0.054 is observed together with the activation of relaxation at the very early stage of deformation. Furthermore, digital image correlation (DIC), used for the first time on films deformed by TOC, reveals local strain heterogeneities. The relationship between such heterogeneities, the high strain rate sensitivity and the effect of the electron beam in the scanning electron microscope is discussed and compared to the literature. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
001170513400001 |
Publication Date |
2024-01-17 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1359-6454 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
9.4 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 9.4; 2024 IF: 5.301 |
| Call Number |
UA @ admin @ c:irua:204864 |
Serial |
9163 |
| Permanent link to this record |
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| Author |
Long, Y.; Wang, X.; Zhang, H.; Wang, K.; Ong, W.-L.; Bogaerts, A.; Li, K.; Lu, C.; Li, X.; Yan, J.; Tu, X.; Zhang, H. |
| Title |
Plasma chemical looping : unlocking high-efficiency CO₂ conversion to clean CO at mild temperatures |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
JACS Au |
Abbreviated Journal |
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| Volume |
|
Issue |
|
Pages |
|
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
We propose a plasma chemical looping CO2 splitting (PCLCS) approach that enables highly efficient CO2 conversion into O-2-free CO at mild temperatures. PCLCS achieves an impressive 84% CO2 conversion and a 1.3 mmol g(-1) CO yield, with no O-2 detected. Crucially, this strategy significantly lowers the temperature required for conventional chemical looping processes from 650 to 1000 degrees C to only 320 degrees C, demonstrating a robust synergy between plasma and the Ce0.7Zr0.3O2 oxygen carrier (OC). Systematic experiments and density functional theory (DFT) calculations unveil the pivotal role of plasma in activating and partially decomposing CO2, yielding a mixture of CO, O-2/O, and electronically/vibrationally excited CO2*. Notably, these excited CO2* species then efficiently decompose over the oxygen vacancies of the OCs, with a substantially reduced activation barrier (0.86 eV) compared to ground-state CO2 (1.63 eV), contributing to the synergy. This work offers a promising and energy-efficient pathway for producing O-2-free CO from inert CO2 through the tailored interplay of plasma and OCs. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
001225139200001 |
Publication Date |
2024-05-08 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
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ISBN |
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Additional Links |
UA library record; WoS full record |
| Impact Factor |
|
Times cited |
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Open Access |
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| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:205970 |
Serial |
9166 |
| Permanent link to this record |
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| |
| Author |
Lu, Q. |
| Title |
Precipitation behavior and heat resistance properties of Al-Cu-Mg-Ag-(Si) alloy |
Type |
Doctoral thesis |
| Year |
2024 |
Publication |
|
Abbreviated Journal |
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| Volume |
|
Issue |
|
Pages |
VIII, 212 p. |
| Keywords |
Doctoral thesis; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
With the rapid increase in the speed of new-generation aerospace vehicles, conventional heat-resistant aluminum alloys cannot meet the long-term service of the equipment. Therefore, the development of new high-strength heat-resistant aluminum alloys is of great strategic for the sustainable and high-quality development of industries. Al-Cu-Mg-Ag alloy is an age-hardenable heat-resistant aluminum alloy and has high strength and heat resistance. The addition of alloying elements such as Si and Sc to Al-Cu-Mg-Ag alloy introduces a competitive relationship among the σ-Al5Cu6Mg2, θ′-Al2Cu, and Ω phases. Therefore, a systematic investigation of precipitation behavior and heat resistance of Al-Cu-Mg-Ag-(Si) is essential for guiding the design of high-strength heat-resistant aluminum alloys. Combined characterization testing methods such as scanning electron microscopy, transmission electron microscopy, atom probe tomography, microhardness testing, and tensile testing with simulation calculation methods such as calculation of phase diagram, first-principles calculations, and Ab initio molecular dynamics, the effects of heat treatment processes and element content on the precipitation behavior, mechanical properties, and heat resistance of Al-Cu-Mg-Ag-(Si) alloys were systematically investigated. Furthermore, a multiple interface segregation structure was constructed at the θ′/Al interface, and a new Al-Cu-Mg-Ag-Si-Sc alloy with synergistically improved strength and heat resistance was developed. The main conclusions are as follows: (1) Based on the Kampmann-Wagner-Numerical theory, the relationship between the coarsening rate of the Ω phase and the aging process was analyzed, revealing for the first time that the critical size of Ω phase ( ) under thermal exposure temperature was the key factor determining the coarsening rate of Ω phase during long time thermal exposure heat treatment. After artificial ageing, when the size of Ω phase was smaller than the critical size , the dissolution of smaller Ω phase leaded to a rapid decrease in the number density of Ω phases, thereby reducing the heat resistance of the alloy. When the size of Ω phase was greater than or equal to the critical size , the coarsening rate of Ω phase was consistent, but a larger initial size would result in a larger final size after long-term thermal exposure. Therefore, the closer the size of Ω phase in the alloy is to the critical size under heat exposure temperature, the better the heat resistance of the alloy. (2) A concept of constructing a multiple interface segregation structure at the precipitate/matrix interface was proposed, and based on this concept, a multiple interface segregation structure containing the C/L-AlMgSiCu interfacial phase, newly discovered χ-AgMg interfacial phase, and Sc segregation layer was successfully constructed at the θ′/Al interface. The existence of the multiple interface segregation structure ensured that the designed Al-Cu-Mg-Ag-Si-Sc alloy maintains a yield strength of 400 MPa after thermal exposure at 200 C for 100 h, with a strength retention rate of 97%, creating a new record for the synergistic improvement of strength and heat resistance in aluminum alloys. In addition, combining transmission electron microscopy ex-situ/in-situ characterization with first-principles calculations, it is shown that the χ-AgMg interface phase will be destroyed due to the diffusion of the outer Ag layer during thermal exposure, and gradually dissolve into the matrix, but it can still delay the coarsening behavior of θ′-Al2Cu phase. (3) The criteria for determining whether Ω phase can precipitate are updated in Al-Cu-Mg-Ag-Si alloys with low Mg/Si ratio based on phase diagram thermodynamic calculations and multi-scale structural characterization. When W(Mg)/W(Si) > 1.4 and X(Ag)/X(Mgexcess) > 1, Ω phase can precipitate in Al-Cu-Mg-Ag-Si alloys, where X(Mgexcess) represents the atomic percentage of residual Mg elements after the formation of the AlMgSiCu quaternary precipitate phase C/L phase in the supersaturated solid solution, and the W(Mg) is the mass fraction of Mg in the supersaturated solid solution before artificial ageing. (4) The effects of alloy element content on precipitation behavior and heat resistance of Al-Cu-Mg-Ag-Si alloys were systematically analyzed. Critical conditions for the precipitation of σ-Al5Cu6Mg2 and Ω phase in Al-Cu-Mg-Ag-Si alloys are revealed. Based on calculation of phase diagram results, the conditions for precipitating σ-Al5Cu6Mg2 phase in the alloy are: ① W(Mg)/W(Si) > 1.8; ② W(Cu) > 2.7W(Mg) – 5W(Si). When W(Mg)/W(Si) < 1.8, the alloy is mainly precipitated with C/L/Q′-AlMgSiCu. When W(Cu) < 2.7W(Mg) – 5W(Si), the alloy will generate GPB zone. In addition, W(Ag)/W(Si) > 4 is the critical condition which the Ω phase can the main precipitates in Al-Cu-Mg-Ag-Si alloys. Furthermore, the correlation between precipitate types and heat resistance was summarized, showing that Al-Cu-Mg-Ag-(Si) alloys with Ω phase as the main strengthening phase are more suitable for the preparation of structures with short service time but high temperature, while Al-Cu-Mg-Ag-(Si) alloys with low Mg content and multiple segregation structures are more suitable for structures requiring long-term service at medium to high temperatures. This study, for the first time, combines calculation of phase diagram with multi-scale microstructure characterization, systematically unraveling the effects of element content on precipitation behavior, strength, and heat resistance of Al-Cu-Mg-Ag-(Si) alloys. In addition, a concept of constructing a multiple interface segregation structure at the precipitate/matrix interface was proposed to synergistically improve alloy strength and heat resistance. This work provides theoretical guidance for optimizing the composition and processing of Al-Cu-Mg-Ag-(Si) alloy and regulating the microstructure. Furthermore, it also offers new ideas and theoretical guidance for the development of novel high-strength heat-resistant alloys in other systems. |
| Address |
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Thesis |
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Place of Publication |
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Editor |
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Wos |
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Publication Date |
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| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
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ISBN |
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Additional Links |
UA library record |
| Impact Factor |
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Times cited |
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Open Access |
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| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:206180 |
Serial |
9167 |
| Permanent link to this record |
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|
| |
| Author |
Manaigo, F. |
| Title |
Study of a gliding arc discharge for sustainable nitrogen fixation into NOx |
Type |
Doctoral thesis |
| Year |
2024 |
Publication |
|
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
xxiv, 114 p. |
| Keywords |
Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
With the growth of the world population, the agricultural sector is required to meet an increasing demand for nutrients and currently relies on industrially produced fertilizers. Among them, nitrogen-based fertilizers are the most common choice and require N2 to be converted into more reactive molecules in a process called “nitrogen fixation”. This is mainly performed through the Haber-Bosch process, which, is not ideal since it requires large-scale facilities to be economical and is associated with a high energy cost and high CO2 emissions, resulting in an environmental impact that is pushing for the study of greener alternatives. Among these, plasma-based nitrogen fixation into NOx is promising, and gliding arc plasma, specifically, proved to be suitable for nitrogen fixation. This thesis aims to study plasma-based nitrogen fixation focusing on an atmospheric pressure gliding arc plasma on three different levels. On a fundamental level, an approach dealing with laser-based excitation of separate rotational lines was successfully developed. This method can be implemented on atmospheric discharges that produce rather high NOx densities and, thus, can impose essential restrictions for the use of “classical” laser-induced fluorescence methods. The approach is then implemented, providing a discussion on the two-dimensional distributions of both the gas temperature and the NO ground state density. A clear correlation between these quantities is found and the effects of both the gas temperature and the plasma power on NO and NO2 concentrations are discussed, revealing how the NO oxidation is already significant in the plasma afterglow region and how the gas flow rate is a crucial parameter affecting the temperature gradients. >From a technological level, the conventional approach of introducing external resistors to stabilize the arc is challenged by studying both its performance and its stability replacing the external resistor with an inductor. We conclude that similar stabilization results can be obtained while significantly lowering the overall energy cost, which decreased from up to a maximum of 7.9 MJ/mol N to 3 MJ/mol N. Finally, we study whether a small-scale fertilizer production facility based on a gliding arc plasma can be a local competitive alternative. This is done by proposing a comparative model to understand how capital, operative expenditures and transport costs affect the production costs. The model highlights how, with the current best available technology, plasma-based nitrogen fixation, while being an interesting alternative for NOx synthesis, still requires a more efficient use of H2 for direct NH3 production. |
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Additional Links |
UA library record |
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Open Access |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:205259 |
Serial |
9175 |
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| Author |
Brognara, A.; Kashiwar, A.; Jung, C.; Zhang, X.; Ahmadian, A.; Gauquelin, N.; Verbeeck, J.; Djemia, P.; Faurie, D.; Dehm, G.; Idrissi, H.; Best, J.P.; Ghidelli, M. |
| Title |
Tailoring mechanical properties and shear band propagation in ZrCu metallic glass nanolaminates through chemical heterogeneities and interface density |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Small Structures |
Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
2400011-11 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
The design of high‐performance structural thin films consistently seeks to achieve a delicate equilibrium by balancing outstanding mechanical properties like yield strength, ductility, and substrate adhesion, which are often mutually exclusive. Metallic glasses (MGs) with their amorphous structure have superior strength, but usually poor ductility with catastrophic failure induced by shear bands (SBs) formation. Herein, we introduce an innovative approach by synthesizing MGs characterized by large and tunable mechanical properties, pioneering a nanoengineering design based on the control of nanoscale chemical/structural heterogeneities. This is realized through a simplified model Zr 24 Cu 76 /Zr 61 Cu 39 , fully amorphous nanocomposite with controlled nanoscale periodicity ( Λ , from 400 down to 5 nm), local chemistry, and glass–glass interfaces, while focusing in‐depth on the SB nucleation/propagation processes. The nanolaminates enable a fine control of the mechanical properties, and an onset of crack formation/percolation (>1.9 and 3.3%, respectively) far above the monolithic counterparts. Moreover, we show that SB propagation induces large chemical intermixing, enabling a brittle‐to‐ductile transition when Λ ≤ 50 nm, reaching remarkably large plastic deformation of 16% in compression and yield strength ≈2 GPa. Overall, the nanoengineered control of local heterogeneities leads to ultimate and tunable mechanical properties opening up a new approach for strong and ductile materials. |
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Publication Date |
2024-05-20 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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| ISSN |
2688-4062 |
ISBN |
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Additional Links |
UA library record |
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Times cited |
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Open Access |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:205798 |
Serial |
9176 |
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| Author |
Chai, Z.-N.; Wang, X.-C.; Yusupov, M.; Zhang, Y.-T. |
| Title |
Unveiling the interaction mechanisms of cold atmospheric plasma and amino acids by machine learning |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
1-26 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Plasma medicine has attracted tremendous interest in a variety of medical conditions, ranging from wound healing to antimicrobial applications, even in cancer treatment, through the interactions of cold atmospheric plasma (CAP) and various biological tissues directly or indirectly. The underlying mechanisms of CAP treatment are still poorly understood although the oxidative effects of CAP with amino acids, peptides, and proteins have been explored experimentally. In this study, machine learning (ML) technology is introduced to efficiently unveil the interaction mechanisms of amino acids and reactive oxygen species (ROS) in seconds based on the data obtained from the reactive molecular dynamics (MD) simulations, which are performed to probe the interaction of five types of amino acids with various ROS on the timescale of hundreds of picoseconds but with the huge computational load of several days. The oxidative reactions typically start with H-abstraction, and the details of the breaking and formation of chemical bonds are revealed; the modification types, such as nitrosylation, hydroxylation, and carbonylation, can be observed. The dose effects of ROS are also investigated by varying the number of ROS in the simulation box, indicating agreement with the experimental observation. To overcome the limits of timescales and the size of molecular systems in reactive MD simulations, a deep neural network (DNN) with five hidden layers is constructed according to the reaction data and employed to predict the type of oxidative modification and the probability of occurrence only in seconds as the dose of ROS varies. The well-trained DNN can effectively and accurately predict the oxidative processes and productions, which greatly improves the computational efficiency by almost ten orders of magnitude compared with the reactive MD simulation. This study shows the great potential of ML technology to efficiently unveil the underpinning mechanisms in plasma medicine based on the data from reactive MD simulations or experimental measurements. In this study, since reactive molecular dynamics simulation can currently only describe interactions between a few hundred atoms in a few hundred picoseconds, deep neural networks (DNN) are introduced to enhance the simulation results by predicting more data efficiently. image |
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Wos |
001202061200001 |
Publication Date |
2024-04-15 |
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Series Title |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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| ISSN |
1612-8850 |
ISBN |
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Additional Links |
UA library record; WoS full record |
| Impact Factor |
3.5 |
Times cited |
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Open Access |
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| Notes |
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Approved |
Most recent IF: 3.5; 2024 IF: 2.846 |
| Call Number |
UA @ admin @ c:irua:205512 |
Serial |
9181 |
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| Author |
O'Modhrain, C.; Trenchev, G.; Gorbanev, Y.; Bogaerts, A. |
| Title |
Upscaling plasma-based CO₂ conversion : case study of a multi-reactor gliding arc plasmatron |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
ACS Engineering Au |
Abbreviated Journal |
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Issue |
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Pages |
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| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Atmospheric pressure plasmas have shifted in recent years from being a burgeoning research field in the academic setting to an actively investigated technology in the chemical, oil, and environmental industries. This is largely driven by the climate change mitigation efforts, as well as the evident pathways of value creation by converting greenhouse gases (such as CO2) into useful chemical feedstock. Currently, most high technology readiness level (TRL) plasma-based technologies are based on volumetric and power-based scaling of thermal plasma systems, which results in large capital investment and regular maintenance costs. This work investigates bringing a quasi-thermal (so-called “warm”) plasma setup, namely, a gliding arc plasmatron, from a lab-scale to a pilot-scale capacity with an increase in throughput capacity by a factor of 10. The method of scaling is the parallelization of plasmatron reactors within a single housing, with the aim of maintaining a warm plasma regime while simultaneously improving build cost and efficiency (compared to separate reactors operating in parallel). Special attention is also given to the safety and control features implemented in the setup, a key component required for integration into industrial systems. The performance of the multi-reactor gliding arc plasmatron (MRGAP) reactor is investigated, focusing on the influence of flow rate and the number of active reactors. The location of active reactors was deemed to have a negligible effect on the monitored metrics of conversion, energy efficiency, and energy cost. The optimum operating conditions were found to be with the most active reactors (five) at the highest investigated flow rate (80 L/min). Analysis of results suggests that an optimum conversion (9%) and plug power-based energy efficiency (19%) can be maintained at a specific energy input (SEI) around 5.3 kJ/L (or 1 eV/molecule). The concept of parallelization of plasmatron reactors within a singular housing was demonstrated to be a viable method for scaling up from a lab-scale to a prototype-scale device, with performance analysis suggesting that increasing the power (through adding more reactor channels) and total flow rate, while maintaining an SEI around 5.3 or 4.2 kJ/L, i.e., 1.3 or 1 eV/molecule (based on plug power and plasma-deposited power, respectively), can result in increased conversion rate without sacrificing absolute conversion or energy efficiency. |
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Wos |
001166625200001 |
Publication Date |
2024-02-14 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Times cited |
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Open Access |
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| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:204749 |
Serial |
9182 |
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| Author |
Verbruggen, L.; Verheggen, L.; Vanhoutte, G.; Loly, C.; Lybaert, W.; Borbath, I.; Vergauwe, P.; Hendrickx, K.; Debeuckelaere, C.; de Haar-Holleman, A.; Van Laethem, J.-L.; Peeters, M. |
| Title |
A real-world analysis on the efficacy and tolerability of liposomal irinotecan plus 5-fluorouracil and folinic acid in metastatic pancreatic ductal adenocarcinoma in Belgium |
Type |
A1 Journal article |
| Year |
2023 |
Publication |
Therapeutic advances in medical oncology |
Abbreviated Journal |
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| Volume |
15 |
Issue |
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Pages |
1-13 |
| Keywords |
A1 Journal article; Center for Oncological Research (CORE) |
| Abstract |
Background: Currently, nanoliposomal irinotecan (nal-IRI) + 5-fluorouracil/folinic acid (5-FU/ LV) is the only approved second-line treatment for patients suffering from metastatic pancreatic ductal adenocarcinoma (mPDAC). However, also other chemotherapeutic regimens are used in this setting and due to the lack of clear real-world data on the efficacy of the different regimens, there is no consensus on the optimal treatment sequence for mPDAC patients. Objectives: To provide information on the safe and efficacious use of nal-IRI + 5-FU/LV in clinical practice in Belgium, which is needed for healthcare professionals to estimate the risk-benefit ratio of the intervention. Methods: Medical data of adult patients with mPDAC who were treated with nal-IRI + 5-FU/ LV in one of the participating Belgian hospitals were retrospectively collected. Kaplan-Meier analysis was performed to obtain survival curves to estimate the median overall survival (OS) and progression-free survival (PFS). All other results were presented descriptively. Results: A total of 56 patients [median age at diagnosis: 69 years (range 43 years), 57.1% male] were included. Patients received a median of 5 (range 49 cycles) nal-IRI + 5-FU/LV cycles, extended over 10 weeks (range 130.8 weeks). The median start dose for nal-IRI was 70 mg/ m(2) (range 49.24 mg/m(2)) and chemotherapy dose reduction and delay occurred in, respectively, 42.8% and 37.5% of the patients. The median OS was 6.8 months (95% CI: 5.6-8.4 months) with a 6-month survival rate of 57.4% and a 1-year survival rate of 27.8% in the overall study population. The median OS for patients treated with nal-IRI as second-line therapy or as laterline treatment was, respectively, 6.8 months (95% CI: 5.9-7.0 months) and 5.6 months (95% CI: 4.2-no upper limit). In the overall study population, a median PFS of 3.1 months (95% CI: 2.4-4.6 months) and a disease control rate of 48.3%, comprising 30.4% stable disease, 16.1% partial and 1.8% complete response, was observed. The median PFS for patients treated with nal-IRI as second-line therapy was 3.9 months (95% CI: 2.8-4.8 months) while this was 2.4 months (95% CI: 1.9-9.1 months) for those that received nal-IRI in a later-line treatment. In terms of safety, gastrointestinal problems occurred most (64.3% of the patients) and from all reported treatment emergent adverse events, 39.2% were grade 3 or 4. Conclusion: Nal-IRI + 5-FU/LV is a valuable, effective, and safe sequential treatment option following gemcitabine-based therapy in patients with mPDAC. |
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Wos |
001051446400001 |
Publication Date |
2023-08-18 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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| ISSN |
1758-8340; 1758-8359 |
ISBN |
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Additional Links |
UA library record; WoS full record |
| Impact Factor |
4.9 |
Times cited |
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Open Access |
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| Notes |
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Approved |
Most recent IF: 4.9; 2023 IF: 6.294 |
| Call Number |
UA @ admin @ c:irua:199296 |
Serial |
9183 |
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| Author |
Fabri, C.; Tsagris, M.; Moretti, M.; Van Passel, S. |
| Title |
Adaptation to climate change : the irrigation technology mix of Italian farmers |
Type |
A1 Journal article |
| Year |
2023 |
Publication |
Applied economic perspectives and policy |
Abbreviated Journal |
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Issue |
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Pages |
1-22 |
| Keywords |
A1 Journal article; Economics; Engineering Management (ENM) |
| Abstract |
Farmers should increasingly adopt more water‐efficient irrigation technologies—such as drip irrigation—as a result of climate warming and aggravating water scarcity. We analyze how Italian farmers adapt to climate change by changing their irrigation technology mix. We apply a two‐stage econometric model to data from 5876 Italian farms. We find that farmers' initial reaction to increasing temperatures is reducing their surface‐irrigated fractions. When temperatures increase further, farmers switch toward more sprinkler irrigation. Our results show that farmers are not autonomously moving to drip irrigation in response to climate change, suggesting that government incentives are needed to encourage this transition. |
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Wos |
001125360800001 |
Publication Date |
2023-12-16 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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| ISSN |
2040-5790 |
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Additional Links |
UA library record; WoS full record |
| Impact Factor |
5.8 |
Times cited |
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Open Access |
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| Notes |
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Approved |
Most recent IF: 5.8; 2023 IF: 1.361 |
| Call Number |
UA @ admin @ c:irua:201688 |
Serial |
9184 |
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| Author |
Teleshkan, E.; Van Schoubroeck, S.; Spiller, M.; Van Passel, S. |
| Title |
Assessing policy impacts on nutrient circularity : a comprehensive review |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Nutrient cycling in agroecosystems |
Abbreviated Journal |
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Issue |
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Pages |
1-15 |
| Keywords |
A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM) |
| Abstract |
Nutrient circularity is an emerging concept that seeks to address the environmental problems and nutrient losses caused by agriculture and food consumption. The implementation of circular nutrient technologies and practices (CNTPs), that recover, reuse, and recycle nutrients from agricultural and urban waste is an important policy objective. Yet, which policies govern the adoption of CNTPs is not well defined. This study presents the first systematic review of impact evaluations of policy measures that aim to improve nutrient circularity regulating components of the biological cycle of the circular economy, particularly focusing on bioaccessible nutrients. The key CNTPs that were subject to existing impact evaluations were identified. CNTPs were categorized into nutrient circularity themes, with manure management emerging as a prominent focus. The reviewed studies implemented several methods to assess the impacts of policies on various dependent variables, associated with nutrient circularity. Economic simulation models and linear programming were the most prevalent methods for impact evaluation. Policy measures were labeled as either enabling or not-enabling nutrient circularity based on whether they sufficiently promoted nutrient circularity through facilitating the adoption of CNTPs, and controlling for soil, water and air health, preventing its contamination. It is concluded that incentive policies, harmonizing market support, tax incentives, and technological advancements, as well as coherence of local, national and cross-country legislation prove indispensable in steering the economic feasibility and sustainability of CNTPs, offering a promising avenue for progress and a transformative shift towards nutrient circularity. |
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Wos |
001175764500001 |
Publication Date |
2024-02-29 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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| ISSN |
1385-1314; 1573-0867 |
ISBN |
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Additional Links |
UA library record; WoS full record |
| Impact Factor |
3.1 |
Times cited |
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Open Access |
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| Notes |
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Approved |
Most recent IF: 3.1; 2024 IF: 1.843 |
| Call Number |
UA @ admin @ c:irua:204250 |
Serial |
9185 |
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Vasilakou, K.; Nimmegeers, P.; Thomassen, G.; Billen, P.; Van Passel, S. |
| Title |
Assessing the future of second-generation bioethanol by 2030 : a techno-economic assessment integrating technology learning curves |
Type |
A1 Journal article |
| Year |
2023 |
Publication |
Applied energy |
Abbreviated Journal |
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| Volume |
344 |
Issue |
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Pages |
121263-15 |
| Keywords |
A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS) |
| Abstract |
Lignocellulosic biomass is the most abundant source of renewable biomass and is seen as a high-potential replacement for petroleum-based resources. The conversion technologies to advanced biofuels are still at a low maturity level, thus allowing for future cost reductions through technological learning. This fact is barely considered in state-of-the-art techno-economic assessments and a structured approach to account for technological learning in techno-economic assessments is needed. In this study, a framework for techno-economic assessments of advanced biofuels, integrating learning curves, is proposed. As a validation of this framework, the economic feasibility of the valorization of corn stover for the production of second-generation bioethanol in Belgium is studied. Process flowsheet simulations in Aspen Plus are developed, with an emphasis on the comparison of four different pretreatment technologies and two plant capacities at 156 dry kt biomass/y and 667 dry kt/y. The dilute acid pretreatment model of the large-scale biorefinery required the lowest minimum learning rate to reach an economically feasible biorefinery by 2030, being 3.9%, almost half as the one calculated for the smaller scale plant. This learning rate seems to be achievable based on learning rates commonly estimated in literature. We conclude that there is a potential for advanced ethanol production in Belgium under the current state of technology for large-scale biorefineries, which require additional biomass imports, when accounting for future cost reductions through learning |
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Wos |
001007488700001 |
Publication Date |
2023-05-22 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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| ISSN |
0306-2619 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
11.2 |
Times cited |
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Open Access |
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| Notes |
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Approved |
Most recent IF: 11.2; 2023 IF: 7.182 |
| Call Number |
UA @ admin @ c:irua:196509 |
Serial |
9186 |
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| Author |
Verbruggen, S.; Van Acker, M.; Furlan, C.; Mercelis, S.; Durt, A. |
| Title |
ATLANTES : the mATeriaL spAtial dimeNsion of wasTE flowS: visualising waste streams in the Province of Antwerp |
Type |
Minutes and reports |
| Year |
2023 |
Publication |
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Abbreviated Journal |
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Issue |
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Pages |
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Minutes and reports; Economics; Engineering sciences. Technology; Internet Data Lab (IDLab); Research Group for Urban Development; Henry van de Velde |
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Edition |
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ISBN |
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Additional Links |
UA library record |
| Impact Factor |
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Times cited |
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Open Access |
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| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:199837 |
Serial |
9187 |
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| Author |
Reynaert, S.; D’Hose, T.; de Boeck, H.J.; Laorden, D.; Dult, L.; Verbruggen, E.; Nijs, I. |
| Title |
Can permanent grassland soils with elevated organic carbon buffer negative effects of more persistent precipitation regimes on forage grass performance? |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
The science of the total environment |
Abbreviated Journal |
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| Volume |
918 |
Issue |
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Pages |
170623-15 |
| Keywords |
A1 Journal article; Plant and Ecosystems (PLECO) – Ecology in a time of change |
| Abstract |
Agricultural practices enhancing soil organic carbon (SOC) show potential to buffer negative effects of climate change on forage grass performance. We tested this by subjecting five forage grass varieties differing in fodder quality and drought/flooding resistance to increased persistence in summer precipitation regimes (PR) across sandy and sandy-loam soils from either permanent (high SOC) or temporary grasslands (low SOC) in adjacent parcels. Over the course of two consecutive summers, monoculture mesocosms were subjected to rainy/dry weather alternation either every 3 days or every 30 days, whilst keeping total precipitation equal. Increased PR persistence induced species-specific drought damage and productivity declines. Soils from permanent grasslands with elevated SOC buffered plant quality, but buffering effects of SOC on drought damage, nutrient availability and yield differed between texture classes. In the more persistent PR, Festuca arundinacea FERMINA was the most productive species but had the lowest quality under both ample water supply and mild soil drought, whilst under the most intense soil droughts, Festulolium FESTILO maintained the highest yields. The hybrid Lolium × boucheanum kunth MELCOMBI had intermediate productivity and both Lolium perenne varieties showed the lowest yields under soil drought, but the highest forage quality (especially the tetraploid variety MELFORCE). Performance varied with plant maturity stage and across seasons/years and was driven by altered water and nutrient availability and related nitrogen nutrition among species during drought and upon rewetting. Moreover, whilst permanent grassland soils showed the most consistent positive effects on plant performance, their available water capacity also declined under increased PR persistence. We conclude that permanent grassland soils with historically elevated SOC likely buffer negative effects of increasing summer weather persistence on forage grass performance, but may also be more sensitive to degradation under climate change. |
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Place of Publication |
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Editor |
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Wos |
001183615800001 |
Publication Date |
2024-02-04 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0048-9697; 1879-1026 |
ISBN |
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Additional Links |
UA library record; WoS full record |
| Impact Factor |
9.8 |
Times cited |
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Open Access |
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| Notes |
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Approved |
Most recent IF: 9.8; 2024 IF: 4.9 |
| Call Number |
UA @ admin @ c:irua:204498 |
Serial |
9191 |
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| Author |
Van Hoecke, L. |
| Title |
CFD-Assisted design of fluidized reactors for H2 release from LOHC |
Type |
Doctoral thesis |
| Year |
2024 |
Publication |
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Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
XXXIII, 181 p. |
| Keywords |
Doctoral thesis; Engineering sciences. Technology |
| Abstract |
Hydrogen (H2) is expected to become a key molecule in the transition towards a society running on renewable energy. It can be used to store excess renewable energy at peak production moments and release this energy at a later stage when renewable energy production is less. However, storing H2 is challenging due to the low density of this gas. As a solution, Liquid Organic Hydrogen Carriers or LOHC molecules have been proposed in the passed to increase volumetric energy density of H2. LOHC are a class of molecules that have storage sites available, to which the H2 gas can be chemically bounded. The LOHC molecule under investigation was dibenzyltoluene (DBT), which is an oil like liquid, that is easy to transport and poses little fire or explosion risks. To release the H2 from the DBT carrier, via a so-called dehydrogenation reaction, efficient mass and heat transfer is required during the process, since a large volume increase is expected from H2 release and the reaction is endothermic, i.e., a self – cooling process that takes place at temperatures around 300 C. The heat has to be supplied specifically to the active sites of catalyst particles that are present inside the reactor and which enable the dehydrogenation to proceed. For heat transfer limited processes fluidized bed reactors are often used, which is a type of reactor where the particle phase is being agitated by the fluid flow. The research proposed in this work, was to explore via computational fluid dynamics (CFD) simulations the possibilities and challenges of using fluidized bed reactors for the dehydrogenation of LOHC. The model selection required for CFD simulations of a three-phase system was investigated in this work, with a main emphasis on the drag model selection. The CFD modelling study was focused on the use of swirling fluidized bed reactors, since it was hypothesised that the swirling effect could also aid in increased removal of the gas phase from the reaction medium to increase the efficiency of the process. Ultimately, it was shown that the main challenges in the design of fluidized bed reactors will be to create uniform particle distribution inside the reactor. A new design for a dehydrogenation reactor is proposed based on the insights gained in this thesis. |
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2024-06-14 |
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UA library record |
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Open Access |
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Approved |
Most recent IF: NA |
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UA @ admin @ c:irua:205645 |
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9192 |
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