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Author Orozco-Jimenez, A.J.; Pinilla-Fernandez, D.A.; Pugliese, V.; Bula, A.; Perreault, P.; Gonzalez-Quiroga, A.
Title Angular momentum based-analysis of gas-solid fluidized beds in vortex chambers Type A1 Journal article
Year 2023 Publication Chemical engineering journal Abbreviated Journal
Volume 457 Issue Pages 141222-21
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Gas-solid vortex chambers are a promising alternative for reactive and non-reactive processes requiring enhanced heat and mass transfer rates and order-of-milliseconds contact time. The conservation of angular momentum is instrumental in understanding how the interactions between gas, particulate solids, and chamber walls influence the formation of a rotating solids bed. Therefore, this work applies the conservation of angular momentum to derive a model that gives the average angular velocity of solids in terms of gas injection velocity, wall-solids bed drag coefficient, gas and particle properties, and chamber geometry. Three datasets from published studies, comprising 1 g-Geldart B- and d-type particles in different vortex chambers, validate the model results. Using a sensitivity analysis, we assessed the effect of input variables on the average angular velocity of solids, average void fraction, and average bed height. Results indicate that the top and bottom end-wall boundaries exert the most significant braking effect on the rotating solids bed compared with the cylindrical outer wall and gas injection boundaries. The wall-solids bed drag coefficient appears independent of the gas injection velocity for a wide range of operating conditions. The proposed model is a valuable tool for analyzing and comparing gas–solid vortex typologies, unraveling improvement opportunities, and scale-up.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos (down) 000951011600001 Publication Date 2022-12-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1385-8947; 1873-3212 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 15.1 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 15.1; 2023 IF: 6.216
Call Number UA @ admin @ c:irua:192868 Serial 7282
Permanent link to this record
 
 
Author Baetens, D.; Schoofs, K.; Somers, N.; Denys, S.
Title A brief review on Multiphysics modelling of the various physical and chemical phenomena occurring in active oxidation reactors Type A1 Journal article
Year 2023 Publication Current opinion in green and sustainable chemistry Abbreviated Journal
Volume 40 Issue Pages 100764-100766
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Heterogeneous photocatalysis can be used as an advanced oxidation technology frequently studied for application in photoreactors for air and water treatment. Extensive experimental investigation entails high costs and is also time consuming. Multiphysics modelling, a relatively new numerical method, provides a cost-effective and valuable alternative. By reconstructing the reactor geometry in dedicated software, meshing it and solving for occurring physical and chemical phenomena, Multiphysics models can be used to evaluate the performance of different reactor designs, increase insight into the occurring phenomena and study the influence of operational parameters on reactor performance. Finally, Multiphysics models are also developed for various applications like optimising the operational parameters, creating the ideal reactor design or scaling up a lab-scale reactor to a realistic prototype.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos (down) 000947344000001 Publication Date 2023-02-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2452-2236 ISBN Additional Links UA library record; WoS full record
Impact Factor 9.3 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 9.3; 2023 IF: NA
Call Number UA @ admin @ c:irua:195208 Serial 7278
Permanent link to this record
 
 
Author Andersen, Ja.; van 't Veer, K.; Christensen, Jm.; Østberg, M.; Bogaerts, A.; Jensen, Ad.
Title Ammonia decomposition in a dielectric barrier discharge plasma: Insights from experiments and kinetic modeling Type A1 Journal article
Year 2023 Publication Chemical engineering science Abbreviated Journal
Volume 271 Issue Pages 118550
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Utilizing ammonia as a storage medium for hydrogen is currently receiving increased attention. A possible method to retrieve the hydrogen is by plasma-catalytic decomposition. In this work, we combined an experimental study, using a dielectric barrier discharge plasma reactor, with a plasma kinetic model, to get insights into the decomposition mechanism. The experimental results revealed a similar effect on the ammonia conversion when changing the flow rate and power, where increasing the specific energy input (higher power or lower flow rate) gave an increased conversion. A conversion as high as 82 % was achieved at a specific energy input of 18 kJ/Nl. Furthermore, when changing the discharge volume from 31 to 10 cm3, a change in the plasma distribution factor from 0.2 to 0.1 was needed in the model to best describe the conversions of the experiments. This means that a smaller plasma volume caused a higher transfer of energy through micro-discharges (non-uniform plasma), which was found to promote the decomposition of ammonia. These results indicate that it is the collisions between NH3 and the high-energy electrons that initiate the decomposition. Moreover, the rate of ammonia destruction was found by the model to be in the order of 1022 molecules/(cm3 s) during the micro-discharges, which is 5 to 6 orders of magnitude higher than in the afterglows. A considerable re-formation of ammonia was found to take place in the afterglows, limiting the overall conversion. In addition, the model revealed that implementation of packing material in the plasma introduced high concentrations of surface-bound hydrogen atoms, which introduced an additional ammonia re-formation pathway through an Eley-Rideal reaction with gas phase NH2. Furthermore, a more uniform plasma is predicted in the presence of MgAl2O4, which leads to a lower average electron energy during micro-discharges and a lower conversion (37 %) at a comparable residence time for the plasma alone (51 %).
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos (down) 000946293200001 Publication Date 2023-02-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0009-2509 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.7 Times cited Open Access OpenAccess
Notes We thank Topsoe A/S for providing the packing material used, the research group PLASMANT (UAntwerpen) for sharing their plasma kinetic model and allowing us to perform the calculations on their clusters, and the Department of Chemical and Biochemical Engineering, Technical University of Denmark, for funding this project. Approved Most recent IF: 4.7; 2023 IF: 2.895
Call Number PLASMANT @ plasmant @c:irua:195204 Serial 7237
Permanent link to this record
 
 
Author Daele, K.V.; Arenas‐Esteban, D.; Choukroun, D.; Hoekx, S.; Rossen, A.; Daems, N.; Pant, D.; Bals, S.; Breugelmans, T.
Title Enhanced Pomegranate‐Structured SnO2Electrocatalysts for the Electrochemical CO2Reduction to Formate Type A1 Journal article
Year 2023 Publication ChemElectroChem Abbreviated Journal
Volume Issue Pages
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT)
Abstract Although most state-of-the-art Sn-based electrocatalysts yield promising results in terms of selectivity and catalyst activity, their stability remains insufficient to date. Here, we demonstrate the successful application of the recently developed pomegranate-structured SnO2 (Pom. SnO2) and SnO2@C (Pom. SnO2@C) nanocomposite electrocatalysts for the efficient electrochemical conversion of CO2 to formate. With an initial selectivity of 83 and 86% towards formate and an operating potential of -0.72 V and -0.64 V vs. RHE, respectively, these pomegranate SnO2 electrocatalysts are able to compete with most of the current state-of-the-art Sn-based electrocatalysts in terms of activity and selectivity. Given the importance of electrocatalyst stability, long-term experiments (24 h) were performed and a temporary loss in selectivity for the Pom. SnO2@C electrocatalyst was largely restored to its initial selectivity upon drying and exposure to air. Of all the used (24 h) electrocatalysts, the pomegranate SnO2@C had the highest selectivity over a time period of one hour, reaching an average recovered FE of 85%, while the commercial SnO2 and bare pomegranate SnO2 electrocatalysts reached an average of 79 and 80% FE towards formate, respectively. Furthermore, the pomegranate structure of Pom. SnO2@C was largely preserved due to the presence of the heterogeneous carbon shell, which acts as a protective layer, physically inhibiting particle segregation/pulverisation and agglomeration.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos (down) 000936694800001 Publication Date 2023-02-15
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 OpenAccess
Notes European Regional Development Fund, E2C 2S03-019 ; Approved Most recent IF: 4; 2023 IF: 4.136
Call Number EMAT @ emat @c:irua:195228 Serial 7249
Permanent link to this record
 
 
Author Li, L.; Nijs, I.; De Boeck, H.; Vinduskova, O.; Reynaert, S.; Donnelly, C.; Zi, L.; Verbruggen, E.
Title Longer dry and wet spells alter the stochasticity of microbial community assembly in grassland soils Type A1 Journal article
Year 2023 Publication Soil biology and biochemistry Abbreviated Journal
Volume 178 Issue Pages 108969-9
Keywords A1 Journal article; ADReM Data Lab (ADReM); Integrated Molecular Plant Physiology Research (IMPRES); Plant and Ecosystems (PLECO) – Ecology in a time of change
Abstract Climate change is increasing the duration of alternating wet and dry spells. These fluctuations affect soil water availability and other soil properties which are crucial drivers of soil microbial communities. While soil microbial communities have a moderate capacity to recover once a drought ceases, the expected alternation of strongly opposing regimes can challenge their capacity to adapt. Here, we set up experimental grassland mesocosms where precipitation frequency was adjusted along a gradient while holding total precipitation constant. The gradient varied the duration of wet and dry spells from 1 to 60 days during a total of 120 days, where we hy-pothesized that especially intermediate durations would increase the importance of stochastic community as-sembly due to frequent alternation of opposing environmental regimes. We examined bacterial and fungal community composition, diversity, co-occurrence patterns and assembly mechanisms across these different precipitation treatments. Our results show that 1) intermediate regimes of wet and dry spells increased the stochasticity of microbial community assembly whereas microbial communities at low and high regimes were subjected to more deterministic assembly, and 2) more persistent precipitation regimes (>6 days duration) reduced the fungal diversity and network connectivity but had little effect on bacterial communities. Collec-tively, these findings indicate that longer alternating wet and dry events lead to a less predictable and connected soil microbial community. This study provides new insight into the likely mechanisms through which precipi-tation persistence alters soil microbial communities and their predictability.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos (down) 000930582500001 Publication Date 2023-01-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0038-0717 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.7 Times cited Open Access
Notes Approved Most recent IF: 9.7; 2023 IF: 4.857
Call Number UA @ admin @ c:irua:195257 Serial 9211
Permanent link to this record
 
 
Author Ciocarlan, R.-G.; Blommaerts, N.; Lenaerts, S.; Cool, P.; Verbruggen, S.W.
Title Recent trends in plasmon‐assisted photocatalytic CO₂ reduction Type A1 Journal article
Year 2023 Publication Chemsuschem Abbreviated Journal
Volume 16 Issue 5 Pages e202201647-25
Keywords A1 Journal article; Engineering sciences. Technology; Laboratory of adsorption and catalysis (LADCA)
Abstract Direct photocatalytic reduction of CO2 has become an highly active field of research. It is thus of utmost importance to maintain an overview of the various materials used to sustain this process, find common trends, and, in this way, eventually improve the current conversions and selectivities. In particular, CO2 photoreduction using plasmonic photocatalysts under solar light has gained tremendous attention, and a wide variety of materials has been developed to reduce CO2 towards more practical gases or liquid fuels (CH4, CO, CH3OH/CH3CH2OH) in this manner. This Review therefore aims at providing insights in current developments of photocatalysts consisting of only plasmonic nanoparticles and semiconductor materials. By classifying recent studies based on product selectivity, this Review aims to unravel common trends that can provide effective information on ways to improve the photoreduction yield or possible means to shift the selectivity towards desired products, thus generating new ideas for the way forward.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos (down) 000926901300001 Publication Date 2023-01-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1864-5631 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.4 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 8.4; 2023 IF: 7.226
Call Number UA @ admin @ c:irua:193633 Serial 7335
Permanent link to this record
 
 
Author Eshtehardi, H.A.; van 't Veer, K.; Delplancke, M.-P.; Reniers, F.; Bogaerts, A.
Title Postplasma Catalytic Model for NO Production: Revealing the Underlying Mechanisms to Improve the Process Efficiency Type A1 Journal article
Year 2023 Publication ACS Sustainable Chemistry and Engineering Abbreviated Journal
Volume 11 Issue 5 Pages 1720-1733
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Plasma catalysis is emerging for plasma-assisted gas conversion processes. However, the underlying mechanisms of plasma catalysis are poorly understood. In this work, we present a 1D heterogeneous catalysis model with axial dispersion (i.e., accounting for back-mixing and molecular diffusion of fluid elements in the process stream in the axial direction), for plasma-catalytic NO production from N2/O2 mixtures. We investigate the concentration and reaction rates of each species formed as a function of time and position across the catalyst, in order to determine the underlying mechanisms. To obtain insights into how the performance of the process can be further improved, we also study how changes in the postplasma gas flow composition entering the catalyst bed and in the operation conditions of the catalytic stage affect the performance of NO production.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos (down) 000926412800001 Publication Date 2023-02-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2168-0485 ISBN Additional Links UA library record; WoS full record
Impact Factor 8.4 Times cited Open Access OpenAccess
Notes Fonds Wetenschappelijk Onderzoek, 30505023 GoF9618n ; Fonds De La Recherche Scientifique FNRS, 30505023 GoF9618n ; H2020 European Research Council, 810182 ; Approved Most recent IF: 8.4; 2023 IF: 5.951
Call Number PLASMANT @ plasmant @c:irua:195377 Serial 7241
Permanent link to this record
 
 
Author Eshtehardi, H.A.; Van ‘t Veer, K.; Delplancke, M.-P.; Reniers, F.; Bogaerts, A.
Title Postplasma Catalytic Model for NO Production: Revealing the Underlying Mechanisms to Improve the Process Efficiency Type A1 Journal article
Year 2023 Publication ACS Sustainable Chemistry and Engineering Abbreviated Journal
Volume 11 Issue 5 Pages 1720-1733
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Plasma catalysis is emerging for plasma-assisted gas conversion

processes. However, the underlying mechanisms of plasma catalysis are poorly

understood. In this work, we present a 1D heterogeneous catalysis model with axial

dispersion (i.e., accounting for back-mixing and molecular diffusion of fluid elements in

the process stream in the axial direction), for plasma-catalytic NO production from

N2/O2 mixtures. We investigate the concentration and reaction rates of each species

formed as a function of time and position across the catalyst, in order to determine the

underlying mechanisms. To obtain insights into how the performance of the process

can be further improved, we also study how changes in the postplasma gas flow

composition entering the catalyst bed and in the operation conditions of the catalytic

stage affect the performance of NO production.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos (down) 000926412800001 Publication Date 2023-02-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2168-0485 ISBN Additional Links UA library record; WoS full record
Impact Factor 8.4 Times cited Open Access OpenAccess
Notes This research was supported by the Excellence of Science FWO-FNRS project (FWO grant ID GoF9618n, EOS ID 30505023) and the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement No. 810182 − SCOPE ERC Synergy project). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. Approved Most recent IF: 8.4; 2023 IF: 5.951
Call Number PLASMANT @ plasmant @c:irua:195377 Serial 7257
Permanent link to this record
 
 
Author Eshtehardi, H.A.; Van ‘t Veer, K.; Delplancke, M.-P.; Reniers, F.; Bogaerts, A.
Title Postplasma Catalytic Model for NO Production: Revealing the Underlying Mechanisms to Improve the Process Efficiency Type A1 Journal article
Year 2023 Publication ACS Sustainable Chemistry and Engineering Abbreviated Journal
Volume 11 Issue 5 Pages 1720-1733
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Plasma catalysis is emerging for plasma-assisted gas conversion

processes. However, the underlying mechanisms of plasma catalysis are poorly

understood. In this work, we present a 1D heterogeneous catalysis model with axial

dispersion (i.e., accounting for back-mixing and molecular diffusion of fluid elements in

the process stream in the axial direction), for plasma-catalytic NO production from

N2/O2 mixtures. We investigate the concentration and reaction rates of each species

formed as a function of time and position across the catalyst, in order to determine the

underlying mechanisms. To obtain insights into how the performance of the process

can be further improved, we also study how changes in the postplasma gas flow

composition entering the catalyst bed and in the operation conditions of the catalytic

stage affect the performance of NO production.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos (down) 000926412800001 Publication Date 2023-02-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2168-0485 ISBN Additional Links UA library record; WoS full record
Impact Factor 8.4 Times cited Open Access OpenAccess
Notes Fonds Wetenschappelijk Onderzoek, 30505023 GoF9618n ; Fonds De La Recherche Scientifique – FNRS, 30505023 GoF9618n ; H2020 European Research Council, 810182 ; Approved Most recent IF: 8.4; 2023 IF: 5.951
Call Number PLASMANT @ plasmant @c:irua:195377 Serial 7258
Permanent link to this record
 
 
Author Drăgan, A.-M.; Parrilla, M.; Sleegers, N.; Slosse, A.; Van Durme, F.; van Nuijs, A.; Oprean, R.; Cristea, C.; De Wael, K.
Title Investigating the electrochemical profile of methamphetamine to enable fast on-site detection in forensic analysis Type A1 Journal article
Year 2023 Publication Talanta : the international journal of pure and applied analytical chemistry Abbreviated Journal
Volume 255 Issue Pages 124208-124211
Keywords A1 Journal article; Toxicological Centre; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
Abstract Methamphetamine (MA) is a synthetic psychoactive drug which is consumed both licitly and illicitly. In some countries it is prescribed for attention-deficit and hyperactivity disorder, and short-term treatment of obesity. More often though, it is abused for its psychostimulant properties. Unfortunately, the spread and abuse of this synthetic drug have increased globally, being reported as the most widely consumed synthetic psychoactive drug in the world in 2019. Attempting to overcome the shortcomings of the currently used on-site methods for MA detection in suspected cargos, the present study explores the potential of electrochemical identification of MA by means of square wave voltammetry on disposable graphite screen-printed electrodes. Hence, the analytical characterization of the method was evaluated under optimal conditions exhibiting a linear range between 50 mu M and 2.5 mM MA, a LOD of 16.7 mu M, a LOQ of 50.0 mu M and a sensitivity of 5.3 mu A mM-1. Interestingly, two zones in the potential window were identified for the detection of MA, depending on its concentration in solution. Furthermore, the oxidative pathway of MA was elucidated employing liquid chromatography – mass spectrometry to understand the change in the electrochemical profile. Thereafter, the selectivity of the method towards MA in mixtures with other drugs of abuse as well as common adulterants/cutting agents was evaluated. Finally, the described method was employed for the analysis of MA in confiscated samples and compared with forensic methods, displaying its potential as a fast and easy-to-use method for on-site analysis.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos (down) 000925076200001 Publication Date 2023-01-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0039-9140; 1873-3573 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.1 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 6.1; 2023 IF: 4.162
Call Number UA @ admin @ c:irua:194314 Serial 8890
Permanent link to this record
 
 
Author Tsonev, I.; O’Modhrain, C.; Bogaerts, A.; Gorbanev, Y.
Title Nitrogen Fixation by an Arc Plasma at Elevated Pressure to Increase the Energy Efficiency and Production Rate of NOx Type A1 Journal article
Year 2023 Publication ACS Sustainable Chemistry and Engineering Abbreviated Journal
Volume 11 Issue 5 Pages 1888-1897
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Plasma-based nitrogen fixation for fertilizer production is an attractive alternative to the fossil fuel-based industrial processes. However, many factors hinder its applicability, e.g., the commonly observed inverse correlation between energy consumption and production rates or the necessity to enhance the selectivity toward NO2, the desired product for a more facile formation of nitrate-based fertilizers. In this work, we investigated the use of a rotating gliding arc plasma for nitrogen fixation at elevated pressures (up to 3 barg), at different feed gas flow rates and composition. Our results demonstrate a dramatic increase in the amount of NOx produced as a function of increasing pressure, with a record-low EC of 1.8 MJ/(mol N) while yielding a high production rate of 69 g/h and a high selectivity (94%) of NO2. We ascribe this improvement to the enhanced thermal Zeldovich mechanism and an increased rate of NO oxidation compared to the back reaction of NO with atomic oxygen, due to the elevated pressure.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos (down) 000924366700001 Publication Date 2023-02-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2168-0485 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.4 Times cited Open Access OpenAccess
Notes Fonds Wetenschappelijk Onderzoek, G0G2322N ; Horizon 2020 Framework Programme, 965546 ; Approved Most recent IF: 8.4; 2023 IF: 5.951
Call Number PLASMANT @ plasmant @c:irua:194281 Serial 7239
Permanent link to this record
 
 
Author Gonzalez, V.; Fazlic, I.; Cotte, M.; Vanmeert, F.; Gestels, A.; De Meyer, S.; Broers, F.; Hermans, J.; van Loon, A.; Janssens, K.; Noble, P.; Keune, K.
Title Lead(II) formate in Rembrandt's Night Watch : detection and distribution from the macro- to the micro-scale Type A1 Journal article
Year 2023 Publication Angewandte Chemie: international edition in English Abbreviated Journal
Volume Issue Pages 1-9
Keywords A1 Journal article; Art; Antwerp X-ray Imaging and Spectroscopy (AXIS)
Abstract The Night Watch, painted in 1642 and on view in the Rijksmuseum in Amsterdam, is considered Rembrandt's most famous work. X-ray powder diffraction (XRPD) mapping at multiple length scales revealed the unusual presence of lead(II) formate, Pb(HCOO)(2), in several areas of the painting. Until now, this compound was never reported in historical oil paints. In order to get insights into this phenomenon, one possible chemical pathway was explored thanks to the preparation and micro-analysis of model oil paint media prepared by heating linseed oil and lead(II) oxide (PbO) drier as described in 17(th) century recipes. Synchrotron radiation based micro-XRPD (SR-mu-XRPD) and infrared microscopy were combined to identify and map at the micro-scale various neo-formed lead-based compounds in these model samples. Both lead(II) formate and lead(II) formate hydroxide Pb(HCOO)(OH) were detected and mapped, providing new clues regarding the reactivity of lead driers in oil matrices in historical paintings.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos (down) 000920584500001 Publication Date 2023-01-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1433-7851; 0570-0833 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 16.6 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 16.6; 2023 IF: 11.994
Call Number UA @ admin @ c:irua:194279 Serial 7318
Permanent link to this record
 
 
Author Scandura, G.; Kumari, P.; Palmisano, G.; Karanikolos, G.N.; Orwa, J.; Dumee, L.F.
Title Nanoporous Dealloyed Metal Materials Processing and Applications?A Review Type A1 Journal article
Year 2023 Publication Industrial and engineering chemistry research Abbreviated Journal
Volume Issue Pages
Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Abstract The development of porous metal materials with pore geometries and sizes at the nanoscale offers promising opportunities for the development of smart responsive interfaces for separation and catalytic applications and as building blocks for complex composite materials. Dealloying is an innovative technique based on selective removal of a sacrificial metal from a metal alloy to engineer surface textures and pores across significant thicknesses. Dealloyed structures may be processed over large scales and for a range of source alloys, offering unprecedented manufacturing opportunities. This review presents the operations and challenges of dealloying routes and discusses avenues for process optimizations and improvements, aiming at the development of scalable nanoporous materials. The potential of dealloyed materials for catalytic and sensing applications is expanded and benchmarked against reference materials. Future prospects and applications of dealloyed materials toward surface reactivity control and pore architecture development are highlighted.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos (down) 000918107700001 Publication Date 2023-01-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0888-5885; 1520-5045 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.2 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 4.2; 2023 IF: 2.843
Call Number UA @ admin @ c:irua:199419 Serial 8904
Permanent link to this record
 
 
Author Parrilla, M.; Vanhooydonck, A.; Johns, M.; Watts, R.; De Wael, K.
Title 3D-printed microneedle-based potentiometric sensor for pH monitoring in skin interstitial fluid Type A1 Journal article
Year 2023 Publication Sensors and actuators : B : chemical Abbreviated Journal
Volume 378 Issue Pages 133159-10
Keywords A1 Journal article; Engineering sciences. Technology; Internet Data Lab (IDLab); Product development; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
Abstract Wearable electrochemical sensors are driven by the user-friendly capability of continuous monitoring of key biomarkers for diagnostic or therapeutic operations. Particularly, microneedle (MN)-based sensors can access the interstitial fluid (ISF) in the dermis layer of skin to carry out on-body transdermal detection of analytes. Interestingly, 3D-printing technology allows for rapid and versatile prototyping reaching micrometer resolution. Herein, for the first time, we explore 3D-printed hollow MN patches (1 mm height x 1 mm base with 0.3 mm hole) which are modified with conductive inks to develop a potentiometric sensor for pH monitoring. First, the piercing capability of 3D-printed MN patches is demonstrated by using the parafilm model and their insertion in porcine skin. Subsequently, the hollow MNs are filled with conductive inks to engineer a set of microelectrodes. Thereafter, the working and reference electrodes are properly modified with polyaniline and polyvinyl butyral, respectively, toward a highly stable potentiometric cell. A full in vitro characterization is performed within a broad range of pH (i.e. pH 4 to pH 9). Besides, the MN sensor is analytically assessed in phantom gel and pierced on porcine skin to evaluate the resilience of the MN sensor. Finally, the MN sensor is pierced on the forearm of a subject and tested for its on-body monitoring capability. Overall, 3D-printed MN-based potentiometric sensing brings a versatile and affordable technology to minimally-invasively monitor key physiological parameters in the body.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos (down) 000904590500008 Publication Date 2022-12-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0925-4005 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access OpenAccess
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:192381 Serial 8824
Permanent link to this record
 
 
Author Tchakoua, T.; Gerrits, N.; Smeets, E.W.F.; Kroes, G.-J.
Title SBH17 : benchmark database of barrier heights for dissociative chemisorption on transition metal surfaces Type A1 Journal article
Year 2023 Publication Journal of chemical theory and computation Abbreviated Journal
Volume 19 Issue 1 Pages 245-270
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Accurate barriers for rate controlling elementary reactions on metal surfaces are key to understanding, controlling, and predicting the rate of heterogeneously catalyzed processes. While barrier heights for gas phase reactions have been extensively benchmarked, dissociative chemisorption barriers for the reactions of molecules on metal surfaces have received much less attention. The first database called SBH10 and containing 10 entries was recently constructed based on the specific reaction parameter approach to density functional theory (SRP-DFT) and experimental results. We have now constructed a new and improved database (SBH17) containing 17 entries based on SRP-DFT and experiments. For this new SBH17 benchmark study, we have tested three algorithms (high, medium, and light) for calculating barrier heights for dissociative chemisorption on metals, which we have named for the amount of computational effort involved in their use. We test the performance of 14 density functionals at the GGA, GGA+vdW-DF, and meta-GGA rungs. Our results show that, in contrast with the previous SBH10 study where the BEEF-vdW-DF2 functional seemed to be most accurate, the workhorse functional PBE and the MS2 density functional are the most accurate of the GGA and meta-GGA functionals tested. Of the GGA+vdW functionals tested, the SRP32-vdW-DF1 functional is the most accurate. Additionally, we found that the medium algorithm is accurate enough for assessing the performance of the density functionals tested, while it avoids geometry optimizations of minimum barrier geometries for each density functional tested. The medium algorithm does require metal lattice constants and interlayer distances that are optimized separately for each functional. While these are avoided in the light algorithm, this algorithm is found not to give a reliable description of functional performance. The combination of relative ease of use and demonstrated reliability of the medium algorithm will likely pave the way for incorporation of the SBH17 database in larger databases used for testing new density functionals and electronic structure methods.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos (down) 000903286100001 Publication Date 2022-12-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1549-9618 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.5 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 5.5; 2023 IF: 5.245
Call Number UA @ admin @ c:irua:193426 Serial 7274
Permanent link to this record
 
 
Author Wang, J.; Zhang, K.; Kavak, S.; Bals, S.; Meynen, V.
Title Modifying the Stöber Process: Is the Organic Solvent Indispensable? Type A1 Journal Article
Year 2022 Publication Chemistry-A European Journal Abbreviated Journal Chem-Eur J
Volume Issue Pages
Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
Abstract The Stöber method is one of the most important and fundamental processes for the synthesis of inorganic (nano)materials but has the drawback of using a large amount of organic solvent. Herein, ethanol was used as an example to explore if the organic solvent in a typical Stöber method can be omitted. It was found that ethanol increases the particle size of the obtained silica spheres and aids the formation of uniform silica particles rather than forming a gel. Nevertheless, the results indicated that an organic solvent in the initial synthesis mixture is not indispensable. An initially immiscible synthesis method was discovered, which can replace the organic solvent-based Stöber method to successfully synthesize silica particles with the same size ranges as the original Stöber process without addition of organic solvents. Moreover, this process can be of further value for the extension to synthesis processes of other materials based on the Stöber process.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos (down) 000898283500001 Publication Date 2022-12-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0947-6539 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.3 Times cited 3 Open Access OpenAccess
Notes The authors are grateful to Alexander Vansant and Dr. Steven Mullens of VITO for their contributions to the DLS measurements in this paper. J.W acknowledges the State Scholarship funded by the China Scholarship Council (201806060123). K.Z acknowledges the EASiCHEM project funded by the Flemish Strategic Basic Research Program of the Catalisti cluster and Flanders Innovation & Entrepreneurship (HBC.2018.0484). S.K acknowledges the Flemish Fund for Scientific Research (FWO Flanders) through a PhD research grant (1181122N). Approved Most recent IF: 4.3
Call Number EMAT @ emat @c:irua:191646 Serial 7233
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Author Javdani, Z.; Hassani, N.; Faraji, F.; Zhou, R.; Sun, C.; Radha, B.; Neyts, E.; Peeters, F.M.; Neek-Amal, M.
Title Clogging and unclogging of hydrocarbon-contaminated nanochannels Type A1 Journal article
Year 2022 Publication The journal of physical chemistry letters Abbreviated Journal J Phys Chem Lett
Volume 13 Issue 49 Pages 11454-11463
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The recent advantages of the fabrication of artificial nanochannels enabled new research on the molecular transport, permeance, and selectivity of various gases and molecules. However, the physisorption/chemisorption of the unwanted molecules (usually hydrocarbons) inside nanochannels results in the alteration of the functionality of the nanochannels. We investigated contamination due to hydrocarbon molecules, nanochannels made of graphene, hexagonal boron nitride, BC2N, and molybdenum disulfide using molecular dynamics simulations. We found that for a certain size of nanochannel (i.e., h = 0.7 nm), as a result of the anomalous hydrophilic nature of nanochannels made of graphene, the hydrocarbons are fully adsorbed in the nanochannel, giving rise to full uptake. An increasing temperature plays an important role in unclogging, while pressure does not have a significant role. The results of our pioneering work contribute to a better understanding and highlight the important factors in alleviating the contamination and unclogging of nanochannels, which are in good agreement with the results of recent experiments.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos (down) 000893147700001 Publication Date 2022-12-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1948-7185 ISBN Additional Links UA library record; WoS full record
Impact Factor 5.7 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 5.7
Call Number UA @ admin @ c:irua:192815 Serial 7263
Permanent link to this record
 
 
Author Yorulmaz, U.; Šabani, D.; Yagmurcukardes, M.; Sevik, C.; Milošević, M.V.
Title High-throughput analysis of tetragonal transition metal Xenes Type A1 Journal article
Year 2022 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
Volume 24 Issue 48 Pages 29406-29412
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We report a high-throughput first-principles characterization of the structural, mechanical, electronic, and vibrational properties of tetragonal single-layer transition metal Xenes (t-TMXs). Our calculations revealed 22 dynamically, mechanically and chemically stable structures among the 96 possible free-standing layers present in the t-TMX family. As a fingerprint for their structural identification, we identified four characteristic Raman active phonon modes, namely three in-plane and one out-of-plane optical branches, with various intensities and frequencies depending on the material in question. Spin-polarized electronic calculations demonstrated that anti-ferromagnetic (AFM) metals, ferromagnetic (FM) metals, AFM semiconductors, and non-magnetic semiconductor materials exist within this family, evidencing the potential of t-TMXs for further use in multifunctional heterostructures.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos (down) 000892446100001 Publication Date 2022-11-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1463-9076; 1463-9084 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.3 Times cited 1 Open Access Not_Open_Access
Notes Approved Most recent IF: 3.3
Call Number UA @ admin @ c:irua:192762 Serial 7310
Permanent link to this record
 
 
Author Segura, P.C.; De Meur, Q.; Alloul, A.; Tanghe, A.; Onderwater, R.; Vlaeminck, S.E.; Vande Wouwer, A.; Wattiez, R.; Dewasme, L.; Leroy, B.
Title Preferential photoassimilation of volatile fatty acids by purple non-sulfur bacteria : experimental kinetics and dynamic modelling Type A1 Journal article
Year 2022 Publication Biochemical engineering journal Abbreviated Journal Biochem Eng J
Volume 186 Issue Pages 108547-10
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Purple non-sulfur bacteria (PNSB) are known for their metabolic versatility and thrive as anoxygenic photoheterotrophs. In environmental engineering and resource recovery, cells would grow on mixtures of volatile fatty acids (VFA) generated by anaerobic fermentation of waste streams. In this study, we aim to better understand the behavior of Rhodospirillum rubrum, a model PNSB species, grown using multiple VFA as carbon sources. We highlighted that assimilation of individual VFA follows a sequential pattern. Based on observations in other PNSB, this seems to be specific to isocitrate lyase-lacking organisms. We hypothesized that the inhibition phenomenon could be due to the regulation of the metabolic fluxes in the substrate cycle between acetoacetyl-CoA and crotonyl-CoA. Developed macroscopic dynamic models showed a good predictive capability for substrate competition for every VFA mixture containing acetate, propionate, and/or butyrate. These novel insights provide valuable input for better design and operation of PNSB-based waste treatment solutions.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos (down) 000891992900005 Publication Date 2022-07-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1369-703x; 1873-295x ISBN Additional Links UA library record; WoS full record
Impact Factor 3.9 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 3.9
Call Number UA @ admin @ c:irua:192741 Serial 7332
Permanent link to this record
 
 
Author Batuk, M.; Vandemeulebroucke, D.; Ceretti, M.; Paulus, W.; Hadermann, J.
Title Topotactic redox cycling in SrFeO2.5+δ explored by 3D electron diffraction in different gas atmospheres Type A1 Journal article
Year 2022 Publication Journal of materials chemistry A : materials for energy and sustainability Abbreviated Journal J Mater Chem A
Volume Issue Pages
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract For oxygen conducting materials applied in solid oxide fuel cells and chemical-looping processes, the understanding of the oxygen diffusion mechanism and the materials’ crystal structure at different stages of the redox reactions is a key parameter to control their performance. In this paper we report the first ever in situ 3D ED experiment in a gas environment and with it uncover the structure evolution of SrFeO2.5 as notably different from that reported from in situ X-ray and in situ neutron powder diffraction studies in gas environments. Using in situ 3D ED on submicron sized single crystals obtained from a high quality monodomain SrFeO2.5 single crystal , we observe the transformation under O2 flow of SrFeO2.5 with an intra- and interlayer ordering of the left and right twisted (FeO4) tetrahedral chains (space group Pcmb) into consecutively SrFeO2.75 with space group Cmmm (at 350°C, 33% O2) and SrFeO3-δ with space group Pm3 ̅m (at 400°C, 100% O2). Upon reduction in H2 flow, the crystals return to the brownmillerite structure with intralayer order, but without regaining the interlayer order of the pristine crystals. Therefore, redox cycling of SrFeO2.5 crystals in O2 and H2 introduces stacking faults into the structure, resulting in an I2/m(0βγ)0s symmetry with variable β.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos (down) 000891928400001 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2050-7488 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 11.9 Times cited Open Access OpenAccess
Notes Financial support is acknowledged from the FWO-Hercules fund I003218N ‘Infrastructure for imaging nanoscale processes in gas/vapor or liquid environments’, from the University of Antwerp through grant BOF TOP 38689. This work was supported by the European Commission Horizon 2020 NanED grant number 956099. Financial support from the French National Research Agency (ANR) through the project “Structural induced Electronic Complexity controlled by low temperature Topotactic Reaction” (SECTOR No. ANR-14-CE36- 0006-01) is gratefully acknowledged. Approved Most recent IF: 11.9
Call Number EMAT @ emat @c:irua:192325 Serial 7229
Permanent link to this record
 
 
Author Brienza, F.; Van Aelst, K.; Devred, F.; Magnin, D.; Tschulkow, M.; Nimmegeers, P.; Van Passel, S.; Sels, B.F.; Gerin, P.; Debecker, D.P.; Cybulska, I.
Title Unleashing lignin potential through the dithionite-assisted organosolv fractionation of lignocellulosic biomass Type A1 Journal article
Year 2022 Publication Chemical Engineering Journal Abbreviated Journal Chem Eng J
Volume 450 Issue 3 Pages 138179-14
Keywords A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS)
Abstract The development of biomass pretreatment approaches that, next to (hemi)cellulose valorization, aim at the conversion of lignin to chemicals is essential for the long-term success of a biorefinery. Herein, we discuss a dithionite-assisted organosolv fractionation (DAOF) of lignocellulose in n-butanol and water to produce cellulosic pulp and mono-/oligo-aromatics. The study frames the technicalities of this biorefinery process and relates them to the features of the obtained product streams. We comprehensively identify and quantify all products of interest: solid pulp (acid hydrolysis-HPLC, ATR-FTIR, XRD, SEM, enzymatic hydrolysis-HPLC), lignin derivatives (GPC, GC-MS/FID, 1H-13C HSQC NMR, ICP-AES), and carbohydrate derivatives (HPLC). These results were used for inspecting the economic feasibility of DAOF. In the best process configuration, a high yield of monophenolics was reached (~20%, based on acid insoluble lignin in birch sawdust). Various other lignocellulosic feedstocks were also explored, showing that DAOF is particularly effective on hardwood and herbaceous biomass. Overall, this study demonstrates that DAOF is a viable fractionation method for the sustainable upgrading of lignocellulosic biomass.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos (down) 000888204900005 Publication Date 2022-07-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1385-8947; 1873-3212 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 15.1 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 15.1
Call Number UA @ admin @ c:irua:189322 Serial 7373
Permanent link to this record
 
 
Author Perreault, P.; Kummamuru, N.B.; Gonzalez Quiroga, A.; Lenaerts, S.
Title CO2 capture initiatives : are governments, society, industry and the financial sector ready? Type A1 Journal article
Year 2022 Publication Current Opinion in Chemical Engineering Abbreviated Journal Curr Opin Chem Eng
Volume 38 Issue Pages 100874
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract The deployment of CCUS plants does not match the enormous requirements to meet the CO2 emission reductions fixed during the Paris agreement, and we must ask ourselves what is refraining the technology deployment, especially in light of the recent high CO2 prices. Owing to the higher costs than their fossil counterparts, Carbon Capture & Utilization represents a long-term solution. In addition to a gigantic scale-up effort even for the most mature Carbon Capture & Storage (CCS) technologies, various factors are responsible for the slow roll-out of CCS projects. Luckily, the financial sector and governments are playing their role. Support from the public is however key, and an open communication is required to convert social tolerance into social acceptance.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos (down) 000885329800001 Publication Date 2022-10-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2211-3398 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.6 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 6.6
Call Number UA @ admin @ c:irua:191272 Serial 7137
Permanent link to this record
 
 
Author Bal, K.M.; Neyts, E.C.
Title Extending and validating bubble nucleation rate predictions in a Lennard-Jones fluid with enhanced sampling methods and transition state theory Type A1 Journal article
Year 2022 Publication Journal Of Chemical Physics Abbreviated Journal J Chem Phys
Volume 157 Issue 18 Pages 184113-10
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract We calculate bubble nucleation rates in a Lennard-Jones fluid through explicit molecular dynamics simulations. Our approach-based on a recent free energy method (dubbed reweighted Jarzynski sampling), transition state theory, and a simple recrossing correction-allows us to probe a fairly wide range of rates in several superheated and cavitation regimes in a consistent manner. Rate predictions from this approach bridge disparate independent literature studies on the same model system. As such, we find that rate predictions based on classical nucleation theory, direct brute force molecular dynamics simulations, and seeding are consistent with our approach and one another. Published rates derived from forward flux sampling simulations are, however, found to be outliers. This study serves two purposes: First, we validate the reliability of common modeling techniques and extrapolation approaches on a paradigmatic problem in materials science and chemical physics. Second, we further test our highly generic recipe for rate calculations, and establish its applicability to nucleation processes.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos (down) 000885260600002 Publication Date 2022-11-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-9606 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.4 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 4.4
Call Number UA @ admin @ c:irua:192076 Serial 7266
Permanent link to this record
 
 
Author dela Encarnacion, C.; Lenzi, E.; Henriksen-Lacey, M.; Molina, B.; Jenkinson, K.; Herrero, A.; Colas, L.; Ramos-Cabrer, P.; Toro-Mendoza, J.; Orue, I.; Langer, J.; Bals, S.; Jimenez de Aberasturi, D.; Liz-Marzan, L.M.
Title Hybrid magnetic-plasmonic nanoparticle probes for multimodal bioimaging Type A1 Journal article
Year 2022 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 126 Issue 45 Pages 19519-19531
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Multimodal contrast agents, which take advantage of different imaging modalities, have emerged as an interesting approach to overcome the technical limitations of individual techniques. We developed hybrid nanoparticles comprising an iron oxide core and an outer gold spiky layer, stabilized by a biocompatible polymeric shell. The combined magnetic and optical properties of the different components provide the required functionalities for magnetic resonance imaging (MRI), surface-enhanced Raman scattering (SERS), and fluorescence imaging. The fabrication of such hybrid nanoprobes comprised the adsorption of small gold nanoparticles onto premade iron oxide cores, followed by controlled growth of spiky gold shells. The gold layer thickness and branching degree (tip sharpness) can be controlled by modifying both the density of Au nanoparticle seeds on the iron oxide cores and the subsequent nanostar growth conditions. We additionally demonstrated the performance of these hybrid multifunctional nanoparticles as multimodal contrast agents for correlative imaging of in vitro cell models and ex vivo tissues.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos (down) 000883021700001 Publication Date 2022-11-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447; 1932-7455 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.7 Times cited 10 Open Access Not_Open_Access
Notes The authors acknowledge financial support from the European Research Council (ERC-AdG-2017, 787510) and MCIN/AEI/10.13039/501100011033 through grants PID2019-108854RA-I00 and Maria de Maeztu Unit of Excellence No. MDM-2017-0720. S.B. and K.J. acknowledge financial support from the European Commission under the Horizon 2020Programme by Grant No. 823717 (ESTEEM3) and ERC Consolidator Grant No. 815128 (REALNANO) . Approved Most recent IF: 3.7
Call Number UA @ admin @ c:irua:192104 Serial 7311
Permanent link to this record
 
 
Author Kelly, S.; Verheyen, C.; Cowley, A.; Bogaerts, A.
Title Producing oxygen and fertilizer with the Martian atmosphere by using microwave plasma Type A1 Journal article
Year 2022 Publication Chem Abbreviated Journal Chem
Volume 8 Issue 10 Pages 2797-2816
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract We explorethepotentialofmicrowave(MW)-plasma-based in situ

utilizationoftheMartianatmospherewithafocusonthenovelpos-

sibilityoffixingN2 forfertilizerproduction. Conversioninasimulant

plasma (i.e., 96% CO2, 2% N2, and 2% Ar),performedunderen-

ergyconditionssimilartothoseoftheMarsOxygen In Situ Resource

UtilizationExperiment(MOXIE),currentlyonboardNASA’sPerse-

verancerover,demonstratesthatO/O2 formedthroughCO2 dissociation

facilitatesthefixationoftheN2 fractionviaoxidationtoNOx.

PromisingproductionratesforO2, CO,andNOx of 47.0,76.1,and

1.25g/h,respectively,arerecordedwithcorrespondingenergy

costs of0.021,0.013,and0.79kWh/g,respectively.Notably,O2

productionratesare 30 timeshigherthanthosedemonstrated

by MOXIE,whiletheNOx production raterepresentsan 7% fixa-

tionoftheN2 fraction presentintheMartian atmosphere.MW-

plasma-basedconversionthereforeshowsgreatpotentialasan in

situ resourceutilization(ISRU)technologyonMarsinthatitsimulta-

neouslyfixesN2 and producesO2.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos (down) 000875346600005 Publication Date 2022-08-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2451-9294 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 23.5 Times cited Open Access OpenAccess
Notes the Euro- pean Marie Skłodowska-Curie Individual Fellowship ‘‘PENFIX’’ within Horizon 2020 (grant no. 838181), the European Research Council (ERC) under the European Union’s Horizon 2020 Research and Innovation Program (grant no. 810182; SCOPE ERC Synergy project), and the Excellence of Science FWO-FNRS project (FWO grant no. GoF9618n and EOS no. 30505023). C.V. was supported by a FWO aspirant PhD fellowship (grant no. 1184820N). The calculations were per- formed with the Turing HPC infrastructure at the CalcUA core facility of the Univer- siteit Antwerpen (Uantwerpen), a division of the Flemish Supercomputer Centre VSC, funded by the Hercules Foundation, the Flemish government (department EWI), and Uantwerpen. Approved Most recent IF: 23.5
Call Number PLASMANT @ plasmant @c:irua:192174 Serial 7243
Permanent link to this record
 
 
Author Le, T.-S.; Nguyen, P.-D.; Ngo, H.H.; Bui, X.-T.; Dang, B.-T.; Diels, L.; Bui, H.-H.; Nguyen, M.-T.; Le Quang, D.-T.
Title Two-stage anaerobic membrane bioreactor for co-treatment of food waste and kitchen wastewater for biogas production and nutrients recovery Type A1 Journal article
Year 2022 Publication Chemosphere Abbreviated Journal Chemosphere
Volume 309 Issue 1 Pages 136537-136539
Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Co-digestion of organic waste and wastewater is receiving increased attention as a plausible waste management approach toward energy recovery. However, traditional anaerobic processes for co-digestion are particularly susceptible to severe organic loading rates (OLRs) under long-term treatment. To enhance technological feasi-bility, this work presented a two-stage Anaerobic Membrane Bioreactor (2 S-AnMBR) composed of a hydrolysis reactor (HR) followed by an anaerobic membrane bioreactor (AnMBR) for long-term co-digestion of food waste and kitchen wastewater. The OLRs were expanded from 4.5, 5.6, and 6.9 kg COD m- 3 d-1 to optimize biogas yield, nitrogen recovery, and membrane fouling at ambient temperatures of 25-32 degrees C. Results showed that specific methane production of UASB was 249 +/- 7 L CH4 kg-1 CODremoved at the OLR of 6.9 kg TCOD m- 3 d-1. Total Chemical Oxygen Demand (TCOD) loss by hydrolysis was 21.6% of the input TCOD load at the hydraulic retention time (HRT) of 2 days. However, low total volatile fatty acid concentrations were found in the AnMBR, indicating that a sufficiently high hydrolysis efficiency could be accomplished with a short HRT. Furthermore, using AnMBR structure consisting of an Upflow Anaerobic Sludge Blanket Reactor (UASB) followed by a side -stream ultrafiltration membrane alleviated cake membrane fouling. The wasted digestate from the AnMBR comprised 42-47% Total Kjeldahl Nitrogen (TKN) and 57-68% total phosphorous loading, making it suitable for use in soil amendments or fertilizers. Finally, the predominance of fine particles (D10 = 0.8 mu m) in the ultra -filtration membrane housing (UFMH) could lead to a faster increase in trans-membrane pressure during the filtration process.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos (down) 000866470600004 Publication Date 2022-09-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0045-6535; 1879-1298 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.8 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 8.8
Call Number UA @ admin @ c:irua:191557 Serial 7347
Permanent link to this record
 
 
Author Van Winckel, T.; Ngo, N.; Sturm, B.; Al-Omari, A.; Wett, B.; Bott, C.; Vlaeminck, S.E.; De Clippeleir, H.
Title Enhancing bioflocculation in high-rate activated sludge improves effluent quality yet increases sensitivity to surface overflow rate Type A1 Journal article
Year 2022 Publication Chemosphere Abbreviated Journal Chemosphere
Volume 308 Issue 2 Pages 136294-11
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract High-rate activated sludge (HRAS) relies on good bioflocculation and subsequent solid-liquid separation to maximize the capture of organics. However, full-scale applications often suffer from poor and unpredictable effluent suspended solids (ESS). While the biological aspects of bioflocculation are thoroughly investigated, the effects of fines (settling velocity < 0.6 m3/m2/h), shear and surface overflow rate (SOR) are unclear. This work tackled the impact of fines, shear, and SOR on the ESS in absence of settleable influent solids. This was assessed on a full-scale HRAS step-feed (SF) and pilot-scale HRAS contact-stabilization (CS) configuration using batch settling tests, controlled clarifier experiments, and continuous operation of reactors. Fines contributed up to 25% of the ESS in the full-scale SF configuration. ESS decreased up to 30 mg TSS/L when bioflocculation was enhanced with the CS configuration. The feast-famine regime applied in CS promoted the production of high-quality extracellular polymeric substances (EPS). However, this resulted in a narrow and unfavorable settling velocity distribution, with 50% ± 5% of the sludge mass settling between 0.6 and 1.5 m3/m2/h, thus increasing sensitivity towards SOR changes. A low shear environment (20 s−1) before the clarifier for at least one min was enough to ensure the best possible settling velocity distribution, regardless of prior shear conditions. Overall, this paper provides a more complete view on the drivers of ESS in HRAS systems, creating the foundation for the design of effective HRAS clarifiers. Tangible recommendations are given on how to manage fines and establish the optimal settling velocity of the sludge.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos (down) 000863979600006 Publication Date 2022-09-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0045-6535; 1879-1298 ISBN Additional Links UA library record; WoS full record
Impact Factor 8.8 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 8.8
Call Number UA @ admin @ c:irua:190187 Serial 7154
Permanent link to this record
 
 
Author Dingenen, F.; Borah, R.; Ninakanti, R.; Verbruggen, S.W.
Title Probing oxygen activation on plasmonic photocatalysts Type A1 Journal article
Year 2022 Publication Frontiers in Chemistry Abbreviated Journal Front Chem
Volume 10 Issue Pages 988542-10
Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Abstract In this work we present an assay to probe the oxygen activation rate on plasmonic nanoparticles under visible light. Using a superoxide-specific XTT molecular probe, the oxygen activation rate on bimetallic gold-silver “rainbow” nanoparticles with a broadband visible light (> 420 nm) response, is determined at different light intensities by measuring its conversion into the colored XTT-formazan derivate. A kinetic model is applied to enable a quantitative estimation of the rate constant, and is shown to match almost perfectly with the experimental data. Next, the broadband visible light driven oxygen activation capacity of this plasmonic rainbow system, supported on nano-sized SiO 2 , is demonstrated towards the oxidation of aniline to azobenzene in DMSO. To conclude, a brief theoretical discussion is devoted to the possible mechanisms behind such plasmon-driven reactions.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos (down) 000860818400001 Publication Date 2022-09-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2296-2646 ISBN Additional Links UA library record; WoS full record
Impact Factor 5.5 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 5.5
Call Number UA @ admin @ c:irua:190868 Serial 7197
Permanent link to this record
 
 
Author Van Hoecke, L.; Boeye, D.; Gonzalez‐Quiroga, A.; Patience, G.S.; Perreault, P.
Title Experimental methods in chemical engineering : computational fluid dynamics/finite volume method–CFD/FVM Type A1 Journal article
Year 2022 Publication The Canadian journal of chemical engineering Abbreviated Journal Can J Chem Eng
Volume Issue Pages 1-17
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Computational fluid dynamics (CFD) applies numerical methods to solve transport phenomena problems. These include, for example, problems related to fluid flow comprising the Navier--Stokes transport equations for either compressible or incompressible fluids together with turbulence models and continuity equations for single and multi-component (reacting and inert) systems. The design space is first segmented into discrete volume elements (meshing). The finite volume method, the subject of this article, discretizes the equations in time and space to produce a set of non-linear algebraic expressions that are assigned to each volume element-cell. The system of equations is solved iteratively with algorithms like the semi-implicit method for pressure-linked equations (SIMPLE) and the pressure implicit splitting of operators (PISO). CFD is especially useful for testing multiple design elements because it is often faster and cheaper than experiments. The downside is that this numerical method is based on models that require validation to check their accuracy. According to a bibliometric analysis, the broad research domains in chemical engineering include: (1) dynamics and CFD-DEM (2) fluid flow, heat transfer and turbulence, (3) mass transfer and combustion, (4) ventilation and environment, and (5) design and optimization. Here, we review the basic theoretical concepts of CFD and illustrate how to set up a problem in the open-source software OpenFOAM to isomerize n-butane to i-butane in a notched reactor under turbulent conditions. We simulated the problem with 1000, 4000, and 16000 cells. According to the Richardson extrapolation, the simulation underestimates the adiabatic temperature rise by 7% with 16000 cells.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos (down) 000859840100001 Publication Date 2022-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0008-4034; 1939-019x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.1 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 2.1
Call Number UA @ admin @ c:irua:189284 Serial 7160
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Author Nematollahi, P.; Neyts, E.C.
Title Identification of a unique pyridinic FeN4Cx electrocatalyst for N₂ reduction : tailoring the coordination and carbon topologies Type A1 Journal article
Year 2022 Publication Journal Of Physical Chemistry C Abbreviated Journal J Phys Chem C
Volume 126 Issue 34 Pages 14460-14469
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Although the heterogeneity of pyrolyzed Fe???N???C materials is known and has been reported previously, the atomic structure of the active sites and their detailed reaction mechanisms are still unknown. Here, we identified two pyridinic Fe???N4-like centers with different local C coordinates, i.e., FeN4C8 and FeN4C10, and studied their electrocatalytic activity for the nitrogen reduction reaction (NRR) based on density functional theory (DFT) calculations. We also discovered the influence of the adsorption of NH2 as a functional ligand on catalyst performance on the NRR. We confirmed that the NRR selectivity of the studied catalysts is essentially governed either by the local C coordination or by the dynamic structure associated with the FeII/FeIII. Our investigations indicate that the proposed traditional pyridinic FeN4C10 has higher catalytic activity and selectivity for the NRR than the robust FeN4C8 catalyst, while it may have outstanding activity for promoting other (electro)catalytic reactions. <comment>Superscript/Subscript Available</comment
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos (down) 000859545200001 Publication Date 2022-08-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447; 1932-7455 ISBN Additional Links UA library record; WoS full record
Impact Factor 3.7 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 3.7
Call Number UA @ admin @ c:irua:191469 Serial 7268
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