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Author Chen, C.; Sang, X.; Cui, W.; Xing, L.; Nie, X.; Zhu, W.; Wei, P.; Hu, Z.-Y.; Zhang, Q.; Van Tendeloo, G.; Zhao, W.
Title Atomic-resolution fine structure and chemical reaction mechanism of Gd/YbAl₃ thermoelectric-magnetocaloric heterointerface Type A1 Journal article
Year (down) 2020 Publication Journal Of Alloys And Compounds Abbreviated Journal J Alloy Compd
Volume 831 Issue Pages 154722-154728
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Thermoelectric materials and magnetocaloric materials are promising candidates for solid-state refrigeration applications. The combination of thermoelectric and magnetocaloric effects could potentially lead to more efficient refrigeration techniques. We designed and successfully synthesized Gd/YbAl3 composites using a YbAl3 matrix with good low-temperature thermoelectric performance and Gd microspheres with a high magnetocaloric performance, using a sintering condition of 750 degrees C and 50 MPa. Using aberration-corrected scanning transmission electron microscopy (STEM), it was discovered that the heterointerface between Gd and YbAl 3 is composed of five sequential interfacial layers: GdAl3, GdAl2, GdAl, Gd3Al2, and Gd3Al. The diffusion of Al atoms plays a crucial role in the formation of these interfacial layers, while Yb or Gd do not participate in the interlayer diffusion. This work provides the essential structural information for further optimizing and designing high-performance composites for thermoelectric-magnetocaloric hybrid refrigeration applications. (C) 2020 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000531727900005 Publication Date 2020-03-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0925-8388 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.2 Times cited 1 Open Access Not_Open_Access
Notes ; This work was supported by National Natural Science Foundation of China (Nos. 11834012, 51620105014, 91963207, 91963122, 51902237) and National Key R&D Program of China (No. 2018YFB0703603, 2019YFA0704903, SQ2018YFE010905). EPMA experiments were performed at the Center for Materials Research and Testing of Wuhan University of Technology. The S/TEM work was performed at the Nanostructure Research Center (NRC), which is supported by the Fundamental Research Funds for the Central Universities (WUT: 2019III012GX). ; Approved Most recent IF: 6.2; 2020 IF: 3.133
Call Number UA @ admin @ c:irua:169447 Serial 6455
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Author Eliaerts, J.; Meert, N.; Dardenne, P.; Baeten, V.; Pierna, J.-A.F.; Van Durme, F.; De Wael, K.; Samyn, N.
Title Comparison of spectroscopic techniques combined with chemometrics for cocaine powder analysis Type A1 Journal article
Year (down) 2020 Publication Journal Of Analytical Toxicology Abbreviated Journal J Anal Toxicol
Volume 44 Issue 8 Pages 851-860
Keywords A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Spectroscopic techniques combined with chemometrics are a promising tool for analysis of seized drug powders. In this study, the performance of three spectroscopic techniques [Mid-InfraRed (MIR), Raman and Near-InfraRed (NIR)] was compared. In total, 364 seized powders were analyzed and consisted of 276 cocaine powders (with concentrations ranging from 4 to 99 w%) and 88 powders without cocaine. A classification model (using Support Vector Machines [SVM] discriminant analysis) and a quantification model (using SVM regression) were constructed with each spectral dataset in order to discriminate cocaine powders from other powders and quantify cocaine in powders classified as cocaine positive. The performances of the models were compared with gas chromatography coupled with mass spectrometry (GC-MS) and gas chromatography with flame-ionization detection (GC-FID). Different evaluation criteria were used: number of false negatives (FNs), number of false positives (FPs), accuracy, root mean square error of cross-validation (RMSECV) and determination coefficients (R-2). Ten colored powders were excluded from the classification data set due to fluorescence background observed in Raman spectra. For the classification, the best accuracy (99.7%) was obtained with MIR spectra. With Raman and NIR spectra, the accuracy was 99.5% and 98.9%, respectively. For the quantification, the best results were obtained with NIR spectra. The cocaine content was determined with a RMSECV of 3.79% and a R-2 of 0.97. The performance of MIR and Raman to predict cocaine concentrations was lower than NIR, with RMSECV of 6.76% and 6.79%, respectively and both with a R-2 of 0.90. The three spectroscopic techniques can be applied for both classification and quantification of cocaine, but some differences in performance were detected. The best classification was obtained with MIR spectra. For quantification, however, the RMSECV of MIR and Raman was twice as high in comparison with NIR. Spectroscopic techniques combined with chemometrics can reduce the workload for confirmation analysis (e.g., chromatography based) and therefore save time and resources.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000606735000011 Publication Date 2020-08-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0146-4760; 1945-2403 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.5 Times cited Open Access
Notes Approved Most recent IF: 2.5; 2020 IF: 2.409
Call Number UA @ admin @ c:irua:175117 Serial 7697
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Author Pacquets, L.; Irtem, E.; Neukermans, S.; Daems, N.; Bals, S.; Breugelmans, T.
Title Size-controlled electrodeposition of Cu nanoparticles on gas diffusion electrodes in methanesulfonic acid solution Type A1 Journal article
Year (down) 2020 Publication Journal Of Applied Electrochemistry Abbreviated Journal J Appl Electrochem
Volume 51 Issue 2 Pages
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT)
Abstract In this paper electrodeposition is used to obtain Cu nanoparticles, as it allows good control over particle size and distribution. These Cu particles were deposited onto a gas diffusion electrode which increased the resulting surface area. Prior to deposition, the surface was pre-treated with NaOH, HNO3, MQ and TX100 to investigate the influence on the electrodeposition of Cu on the gas diffusion electrode (GDE). When using HNO3, the smallest particles with the most homogeneous distribution and high particle roughness were obtained. Once the optimal substrate was determined, we further demonstrated that by altering the electrodeposition parameters, the particle size and density could be tuned. On the one hand, increasing the nucleation potential led to a higher particle density resulting in smaller particles because of an increased competition between particles. Finally, the Cu particle size increased when applying a greater growth charge and growth potential. This fundamental study thus opens up a path towards the synthesis of supported Cu materials with increased surface areas, which is interesting from a catalytic point of view. Larger surface areas are generally correlated with a better catalyst performance and thus higher product yields. This research can contributed in obtaining new insides into the deposition of metallic nanoparticles on rough surfaces. [GRAPHICS] .
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000568651000001 Publication Date 2020-09-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-891x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.9 Times cited 3 Open Access OpenAccess
Notes ; L. Pacquets was supported through a PhD fellowship strategic basic research (1S56918N) of the Research Foundation-Flanders (FWO). N. Daems was supported through a postdoctoral fellowship (12Y3919N-ND) of the Research Foundation-Flanders (FWO). S. Neukermans was supported through an FWO project grant (G093317N). This research was financed by the research counsel of the university of Antwerp (BOF-GOA 33928). The authors recognize the contribution of Thomas Kenis for analytical validation and methodology. ; Approved Most recent IF: 2.9; 2020 IF: 2.235
Call Number UA @ admin @ c:irua:171588 Serial 6603
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Author Khanam, A.; Vohra, A.; Slotte, J.; Makkonen, I.; Loo, R.; Pourtois, G.; Vandervorst, W.
Title A demonstration of donor passivation through direct formation of V-As-i complexes in As-doped Ge1-XSnx Type A1 Journal article
Year (down) 2020 Publication Journal Of Applied Physics Abbreviated Journal J Appl Phys
Volume 127 Issue 19 Pages 195703
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Positron annihilation spectroscopy in the Doppler and coincidence Doppler mode was applied on Ge1 xSnx epitaxial layers, grown by chemical vapor deposition with different total As concentrations (1019-1021 cm3), high active As concentrations (1019 cm3), and similar Sn concentrations (5.9%-6.4%). Positron traps are identified as mono-vacancy complexes. Vacancy-As complexes, V-Asi, formed during the growth were studied to deepen the understanding of the electrical passivation of the Ge1 xSnx:As epilayers. Larger monovacancy complexes, V-Asi (i 2), are formed as the As doping increases. The total As concentration shows a significant impact on the saturation of the number of As atoms (i 1/4 4) around the vacancies in the sample epilayers. The presence of V-Asi complexes decreases the dopant activation in the Ge1 xSnx:As epilayers. Furthermore, the presence of Sn failed to hinder the formation of larger V-Asi complexes and thus failed to reduce the donor-deactivation.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000536196000003 Publication Date 2020-05-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.2 Times cited Open Access
Notes ; ; Approved Most recent IF: 3.2; 2020 IF: 2.068
Call Number UA @ admin @ c:irua:170252 Serial 6447
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Author Topalovic, D.B.; Arsoski, V.V.; Tadic, M.Z.; Peeters, F.M.
Title Asymmetric versus symmetric HgTe/CdxHg1-x Te double quantum wells: Bandgap tuning without electric field Type A1 Journal article
Year (down) 2020 Publication Journal Of Applied Physics Abbreviated Journal J Appl Phys
Volume 128 Issue 6 Pages 064301-64308
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We investigate the electron states in double asymmetric HgTe / Cd x Hg 1 – x Te quantum wells grown along the [ 001 ] direction. The subbands are computed by means of the envelope function approximation applied to the eight-band Kane k . mml:mspace width=“.1em”mml:mspace p model. The asymmetry of the confining potential of the double quantum wells results in a gap opening, which is absent in the symmetric system where it can only be induced by an applied electric field. The bandgap and the subbands are affected by spin-orbit coupling, which is a consequence of the asymmetry of the confining potential. The electron-like and hole-like states are mainly confined in different quantum wells, and the enhanced hybridization between them opens a spin-dependent hybridization gap at a finite in-plane wavevector. We show that both the ratio of the widths of the two quantum wells and the mole fraction of the C d x H g 1 – x Te barrier control both the energy gap between the hole-like states and the hybridization gap. The energy subbands are shown to exhibit inverted ordering, and therefore, a nontrivial topological phase could emerge in the system.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000561339300001 Publication Date 2020-08-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.2 Times cited 4 Open Access
Notes ; This research was funded by the Ministry of Education, Science and Technological Development of the Republic of Serbia and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 3.2; 2020 IF: 2.068
Call Number UA @ admin @ c:irua:171146 Serial 6453
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Author Liang, Y.-S.; Liu, Y.-X.; Zhang, Y.-R.; Wang, Y.-N.
Title Investigation of voltage effect on reaction mechanisms in capacitively coupled N-2 discharges Type A1 Journal article
Year (down) 2020 Publication Journal Of Applied Physics Abbreviated Journal J Appl Phys
Volume 127 Issue 13 Pages 133301
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract A systematic investigation of voltage effect on the plasma parameters, especially the species densities and chemical reaction mechanisms, in the capacitive N-2 discharges is performed by employing a two-dimensional self-consistent fluid model. The validity of the numerical model is first demonstrated by the qualitative agreement of the calculated and experimental results. Then, the densities, production mechanisms, and loss mechanisms of species from simulation are examined at various voltages. It is found that all the species densities increase monotonically with the voltage, whereas their spatial profiles at lower voltages are quite different from those at higher voltages. The electrons and Nthorn 2 ions are mainly generated by the electron impact ionization of N-2 gas, while the Nthorn ions, whose density is one or two orders of magnitude lower, are mostly formed by the ionization of N atoms. The electron impact dissociation of N-2 gas dominates the generation of N atoms, which are mostly destroyed for the Nthorn ion production. As for the excited N-2 levels, the level conversion processes play a very important role in their production and depletion mechanisms, except for the electron impact excitation of the ground state N-2 molecules. Published under license by AIP Publishing.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000524256700001 Publication Date 2020-04-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.2 Times cited Open Access
Notes ; This work was financially supported by the National Natural Science Foundation of China (NNSFC) (Grant Nos. 11805089 and 11875101), the Natural Science Foundation of Liaoning Province, China (Grant No. 2019-BS-127), the Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, Ministry of Education, China (Grant No. KF1804), and the China Scholarship Council. ; Approved Most recent IF: 3.2; 2020 IF: 2.068
Call Number UA @ admin @ c:irua:168558 Serial 6555
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Author Li, Q.N.; Xu, W.; Xiao, Y.M.; Ding, L.; Van Duppen, B.; Peeters, F.M.
Title Optical absorption window in Na₃Bi based three-dimensional Dirac electronic system Type A1 Journal article
Year (down) 2020 Publication Journal Of Applied Physics Abbreviated Journal J Appl Phys
Volume 128 Issue 15 Pages 155707
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We present a detailed theoretical study of the optoelectronic properties of a Na3Bi based three-dimensional Dirac electronic system (3DDES). The optical conductivity is evaluated using the energy-balance equation derived from a Boltzmann equation, where the electron Hamiltonian is taken from a simplified k . p approach. We find that for short-wavelength irradiation, the optical absorption in Na3Bi is mainly due to inter-band electronic transitions. In contrast to the universal optical conductance observed for graphene, the optical conductivity for Na3Bi based 3DDES depends on the radiation frequency but not on temperature, carrier density, and electronic relaxation time. In the radiation wavelength regime of about 5 mu m, < lambda < 200 mu m, an optical absorption window is found. This is similar to what is observed in graphene. The position and width of the absorption window depend on the direction of the light polarization and sensitively on temperature, carrier density, and electronic relaxation time. Particularly, we demonstrate that the inter-band optical absorption channel can be switched on and off by applying the gate voltage. This implies that similar to graphene, Na3Bi based 3DDES can also be applied in infrared electro-optical modulators. Our theoretical findings are helpful in gaining an in-depth understanding of the basic optoelectronic properties of recently discovered 3DDESs.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000585807400004 Publication Date 2020-10-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record
Impact Factor 3.2 Times cited 1 Open Access
Notes ; This work was supported by the National Natural Science Foundation of China (NNSFC Nos. U1930116, U1832153, 11764045, 11574319, and 11847054) and the Center of Science and Technology of Hefei Academy of Science (No. 2016FXZY002). Applied Basic Research Foundation of Department of Science and Technology of Yunnan Province (No. 2019FD134), the Department of Education of Yunnan Province (No. 2018JS010), the Young Backbone Teachers Training Program of Yunnan University, and the Department of Science and Technology of Yunnan Province are acknowledged. ; Approved Most recent IF: 3.2; 2020 IF: 2.068
Call Number UA @ admin @ c:irua:173591 Serial 6571
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Author Chaves, A.; Moura, V.N.; Linard, F.J.A.; Covaci, L.; Milošević, M.V.
Title Tunable magnetic focusing using Andreev scattering in superconductor-graphene hybrid devices Type A1 Journal article
Year (down) 2020 Publication Journal Of Applied Physics Abbreviated Journal J Appl Phys
Volume 128 Issue 12 Pages 124303
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract We perform the wavepacket dynamics simulation of a graphene-based device where propagating electron trajectories are tamed by an applied magnetic field toward a normal/superconductor interface. The magnetic field controls the incidence angle of the incoming electronic wavepacket at the interface, which results in the tunable electron-hole ratio in the reflected wave function due to the angular dependence of the Andreev reflection. Here, mapped control of the quasiparticle trajectories by the external magnetic field not only defines an experimental probe for fundamental studies of the Andreev reflection in graphene but also lays the foundation for further development of magnetic focusing devices based on nanoengineered superconducting two-dimensional materials.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000576393200002 Publication Date 2020-09-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.2 Times cited 1 Open Access Not_Open_Access
Notes ; This work was supported by the Brazilian Council for Research (CNPq) through the PRONEX/FUNCAP and PQ programs and by the Research Foundation-Flanders (FWO). ; Approved Most recent IF: 3.2; 2020 IF: 2.068
Call Number UA @ admin @ c:irua:172730 Serial 6639
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Author Nakhaee, M.; Ketabi, S.A.; Peeters, F.M.
Title Machine learning approach to constructing tight binding models for solids with application to BiTeCl Type A1 Journal article
Year (down) 2020 Publication Journal Of Applied Physics Abbreviated Journal J Appl Phys
Volume 128 Issue 21 Pages 215107
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Finding a tight-binding (TB) model for a desired solid is always a challenge that is of great interest when, e.g., studying transport properties. A method is proposed to construct TB models for solids using machine learning (ML) techniques. The approach is based on the LCAO method in combination with Slater-Koster (SK) integrals, which are used to obtain optimal SK parameters. The lattice constant is used to generate training examples to construct a linear ML model. We successfully used this method to find a TB model for BiTeCl, where spin-orbit coupling plays an essential role in its topological behavior.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000597311900001 Publication Date 2020-12-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.2 Times cited 10 Open Access
Notes ; This work was supported by the Methusalem program of the Flemish government and was partially supported by BOF (UAntwerpen Grant Reference No. ADPERS/BAP/RS/ 2019). We would like to thank one of the anonymous referees for assisting us in making the paper more accessible to the reader. ; Approved Most recent IF: 3.2; 2020 IF: 2.068
Call Number UA @ admin @ c:irua:174380 Serial 6691
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Author Peeters, M.; Compernolle, T.; Van Passel, S.
Title Simulation of a controlled water heating system with demand response remunerated on imbalance market pricing Type A1 Journal article
Year (down) 2020 Publication Journal of building engineering Abbreviated Journal
Volume 27 Issue 27 Pages 100969
Keywords A1 Journal article; Economics; Engineering sciences. Technology; Economics; Engineering Management (ENM)
Abstract Buildings are responsible for 40% of our worldwide energy consumption and 50% of this energy is converted for Heating Ventilation Air Conditioning (HVAC) systems in buildings. The increasing share of renewable energy production required to make the transition towards a carbon neutral energy system challenges the stability of the grid. Through demand response it becomes possible to activate these systems in support of grid balancing. However, this flexibility is currently not rewarded in the market. We simulate a domestic water heater participating in the balancing of the electricity net and calculated the revenue from this action. We simulate a water heater in connection with an Economic Model Predictive Controller (EMPC) which takes future usage, energy cost, and reward for delivering balanced power into account. We show that the choice of an EMPC controller is valid as it allows the setpoint to change if certain conditions are met, leading to a more optimal revenue stream from selling flexibility. We find that the economic benefits of participating in delivering balancing power is considerable and offset an increase in energy costs. The increase in energy consumption could be justified as the participation in net stabilisation allows the macro-system to integrate more renewable energy sources. More importantly, the simulations also show that the poorer the energy performance of the water heater, the more flexibility can be sold. From a policy point of view, a minimal energy performance should be determined before allowing participation in net stabilisation.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000502361000075 Publication Date 2019-09-27
Series Editor Series Title Abbreviated Series Title
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 ; Tine Compernolle thanks the Research Foundation Flanders (FWO) for funding her postdoctoral mandate [grant number 12M7417N]. ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:164236 Serial 6248
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Author Kummamuru, N.B.; Eimer, D.A.; Idris, Z.
Title Viscosity measurement and correlation of unloaded and CO₂-loaded aqueous solutions of N-methyldiethanolamine + 2-amino-2-methyl-1-propanol Type A1 Journal article
Year (down) 2020 Publication Journal Of Chemical And Engineering Data Abbreviated Journal J Chem Eng Data
Volume 65 Issue 6 Pages 3072-3078
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract This work contributes to new and complementary experimental viscosity data for blended amine mixtures of aqueous N-methyldiethanolamine + 2-amino-2-methyl-1-propanol (MDEA + AMP) solutions with and without CO2 at different temperatures and mass fractions. For the unloaded MDEA + AMP solutions, measurements were conducted with total amine mass fractions ranging from 0.30 to 0.60. In the case of CO2-loaded aqueous MDEA + AMP solutions, experiments were performed at CO2 loadings ranging from 0.11 to 0.80. Proposed correlations were used to represent viscosity at the unloaded and CO2-loaded solutions within experimental uncertainty.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000541740100016 Publication Date 2020-05-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-9568; 1520-5134 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.6 Times cited Open Access
Notes Approved Most recent IF: 2.6; 2020 IF: 2.323
Call Number UA @ admin @ c:irua:180363 Serial 8737
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Author Bal, K.M.; Fukuhara, S.; Shibuta, Y.; Neyts, E.C.
Title Free energy barriers from biased molecular dynamics simulations Type A1 Journal article
Year (down) 2020 Publication Journal Of Chemical Physics Abbreviated Journal J Chem Phys
Volume 153 Issue 11 Pages 114118
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Atomistic simulation methods for the quantification of free energies are in wide use. These methods operate by sampling the probability density of a system along a small set of suitable collective variables (CVs), which is, in turn, expressed in the form of a free energy surface (FES). This definition of the FES can capture the relative stability of metastable states but not that of the transition state because the barrier height is not invariant to the choice of CVs. Free energy barriers therefore cannot be consistently computed from the FES. Here, we present a simple approach to calculate the gauge correction necessary to eliminate this inconsistency. Using our procedure, the standard FES as well as its gauge-corrected counterpart can be obtained by reweighing the same simulated trajectory at little additional cost. We apply the method to a number of systems—a particle solvated in a Lennard-Jones fluid, a Diels–Alder reaction, and crystallization of liquid sodium—to demonstrate its ability to produce consistent free energy barriers that correctly capture the kinetics of chemical or physical transformations, and discuss the additional demands it puts on the chosen CVs. Because the FES can be converged at relatively short (sub-ns) time scales, a free energy-based description of reaction kinetics is a particularly attractive option to study chemical processes at more expensive quantum mechanical levels of theory.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000574665600004 Publication Date 2020-09-21
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
Notes Japan Society for the Promotion of Science, 19H02415 18J22727 ; Fonds Wetenschappelijk Onderzoek, 12ZI420N ; This work was supported, in part, by a Grant-in-Aid for Scientific Research (B) (Grant No. 19H02415) and Grant-in-Aid for a JSPS Research Fellow (Grant No. 18J22727) from the Japan Society for the Promotion of Science (JSPS), Japan. K.M.B. was funded as a junior postdoctoral fellow of the FWO (Research Foundation – Flanders), Grant No. 12ZI420N. S.F. was supported by JSPS through the Program for Leading Graduate Schools (MERIT). The computational resources and services used in this work were provided by the HPC core facility CalcUA of the Universiteit Antwerpen, and VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government. The authors are grateful to Pablo Piaggi for making the pair entropy CV code publicly available. Approved Most recent IF: 4.4; 2020 IF: 2.965
Call Number PLASMANT @ plasmant @c:irua:172456 Serial 6420
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Author Baskurt, M.; Yagmurcukardes, M.; Peeters, F.M.; Sahin, H.
Title Stable single-layers of calcium halides (CaX₂, X = F, Cl, Br, I) Type A1 Journal article
Year (down) 2020 Publication Journal Of Chemical Physics Abbreviated Journal J Chem Phys
Volume 152 Issue 16 Pages 164116-164118
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract By means of density functional theory based first-principles calculations, the structural, vibrational, and electronic properties of 1H- and 1T-phases of single-layer CaX2 (X = F, Cl, Br, or I) structures are investigated. Our results reveal that both the 1H- and 1T-phases are dynamically stable in terms of their phonon band dispersions with the latter being the energetically favorable phase for all single-layers. In both phases of single-layer CaX2 structures, significant phonon softening occurs as the atomic radius increases. In addition, each structural phase exhibits distinctive Raman active modes that enable one to characterize either the phase or the structure via Raman spectroscopy. The electronic band dispersions of single-layer CaX2 structures reveal that all structures are indirect bandgap insulators with a decrease in bandgaps from fluorite to iodide crystals. Furthermore, the calculated linear elastic constants, in-plane stiffness, and Poisson ratio indicate the ultra-soft nature of CaX2 single-layers, which is quite important for their nanoelastic applications. Overall, our study reveals that with their dynamically stable 1T- and 1H-phases, single-layers of CaX2 crystals can be alternative ultra-thin insulators.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000531819100001 Publication Date 2020-04-29
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 14 Open Access
Notes ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. acknowledges financial support from the TUBITAK under Project No. 117F095. H.S. acknowledges support from the Turkish Academy of Sciences under the GEBIP program. M.Y. was supported by a postdoctoral fellowship from the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 4.4; 2020 IF: 2.965
Call Number UA @ admin @ c:irua:169543 Serial 6615
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Author Tschulkow, M.; Compernolle, T.; Van den Bosch, S.; Van Aelst, J.; Storms, I.; Van Dael, M.; Van den Bossche, G.; Sels, B.; Van Passel, S.
Title Integrated techno-economic assessment of a biorefinery process: The high-end valorization of the lignocellulosic fraction in wood streams Type A1 Journal Article
Year (down) 2020 Publication Journal Of Cleaner Production Abbreviated Journal J Clean Prod
Volume 266 Issue Pages 122022
Keywords A1 Journal Article; Engineering Management (ENM) ;
Abstract A new lignin-first biorefinery with a reductive catalytic fractionation process, which targets the valorization of the lignin and the carbohydrate fraction into higher value end-products, is currently being designed. To identify the various R&D drivers for projects with a low technology readiness level (TRL), we developed an integrated techno-economic assessment (TEA) that directly integrates the results of lab studies with economic costs and benefits. Furthermore, different linkages are made to upstream wood availability and downstream demand to understand its fit into existing wood value chains. By making the relations across the wood value chain explicit within the integrated TEA, we find that the scale of the plant, the feedstock-specific output quantities, and output prices highly determine the economic feasibility. Furthermore, this detailed analysis reveals the importance of assessing different types of feedstock. If only virgin wood is available as feedstock, minimum capacity levels between 190 and 234 kilotons per year are needed for the investment to be profitable. Waste wood proves to be the most profitable feedstock with an NPV of M€ 59 and an IRR of 26%. Using only waste wood as feedstock makes the investment profitable at a lower capacity level of 80 kilotons per year and economic shocks can be absorbed. Based on these results we show that an integrated and detailed TEA is indispensable to define future development paths for early-stage, innovative technologies.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000573461000008 Publication Date 2020-05-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0959-6526 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 11.1 Times cited Open Access
Notes This project has received funding from the Research FoundationFlanders (FWO)-SBO BIOWOOD project. Tine Compernolle thanksthe (FWO) for funding her postdoctoral mandate with Grantnumber 12M7417N. G. V.d.B. acknowledges funding from FISCH-ICON project MAIA. J.V.A. and S.V.d.B acknowledge Flanders Inno-vation&Entrepreneurship (VLAIO) for their innovation mandate. Approved Most recent IF: 11.1; 2020 IF: 5.715
Call Number ENM @ enm @c:irua:170069 Serial 6383
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Author Larrain, M.; Van Passel, S.; Thomassen, G.; Kresovic, U.; Alderweireldt, N.; Moerman, E.; Billen, P.
Title Economic performance of pyrolysis of mixed plastic waste: Open-loop versus closed-loop recycling Type A1 Journal Article
Year (down) 2020 Publication Journal Of Cleaner Production Abbreviated Journal J Clean Prod
Volume Issue Pages 122442
Keywords A1 Journal Article; Engineering Management (ENM) ;
Abstract In recent decades new recycling technologies for mixed plastic waste have emerged. In pyrolysis, the polymer chains are thermally broken (pyrolyzed) to obtain hydrocarbon materials of different molecular weights such as naphtha, oil or waxes, whose yields can be controlled by varying the reaction parameters. Naphtha represents a closed-loop recycling process as it is a feedstock for (poly)olefins; while the co-production of waxes, having several applications in e.g. the construction industry, exemplifies an open-loop recycling process. This paper compares the economic performance of the pyrolysis of mixed polyolefin waste in a closed-loop and open-loop scheme, including a probabilistic approach to the most important variables. From an economic perspective, open-loop pyrolysis as presented outperforms closed-loop recycling, due to the high prices of wax. However, the results present a high dispersion caused by the volatility of the prices of crude oil and its derivates. Considering the current oil price projections, our case study analysis showed that for open-loop recycling there is a future probability of almost a 98 % of observing positive results and around 57 % of probability in the case of closed-loop recycling, under the assumptions made. Yet, in a future scenario where decarbonized electricity would decrease oil prices, the probability of a positive outcome reduces to 57 % for the open-loop case and to less than 8 % in the case of closed-loop recycling. To make these pathways attractive to investors, the nameplate capacity should be at least 70 kt/year for open-loop recycling and 115 kt/year for closed-loop recycling. A 120 kt/year plant should operate minimally at 80 % of its capacity for open-loop recycling, while closed-loop recycling would demand running close to maximum capacity. Security of feedstock supply therefore is required.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000579071300078 Publication Date 2020-05-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0959-6526 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 11.1 Times cited Open Access
Notes This work was supported by the VLAIO Catalisti-ICON project MATTER (Mechanical and Thermochemical Recycling of mixed plastic waste; project HBC.2018.0262). Approved Most recent IF: 11.1; 2020 IF: 5.715
Call Number ENM @ enm @c:irua:170005 Serial 6385
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Author Larrain, M.; Van Passel, S.; Thomassen, G.; Kresovic, U.; Alderweireldt, N.; Moerman, E.; Billen, P.
Title Economic performance of pyrolysis of mixed plastic waste: Open-loop versus closed-loop recycling Type A1 Journal Article
Year (down) 2020 Publication Journal Of Cleaner Production Abbreviated Journal J Clean Prod
Volume Issue Pages 122442
Keywords A1 Journal Article; Engineering Management (ENM) ;
Abstract In recent decades new recycling technologies for mixed plastic waste have emerged. In pyrolysis, the polymer chains are thermally broken (pyrolyzed) to obtain hydrocarbon materials of different molecular weights such as naphtha, oil or waxes, whose yields can be controlled by varying the reaction parameters. Naphtha represents a closed-loop recycling process as it is a feedstock for (poly)olefins; while the co-production of waxes, having several applications in e.g. the construction industry, exemplifies an open-loop recycling process. This paper compares the economic performance of the pyrolysis of mixed polyolefin waste in a closed-loop and open-loop scheme, including a probabilistic approach to the most important variables. From an economic perspective, open-loop pyrolysis as presented outperforms closed-loop recycling, due to the high prices of wax. However, the results present a high dispersion caused by the volatility of the prices of crude oil and its derivates. Considering the current oil price projections, our case study analysis showed that for open-loop recycling there is a future probability of almost a 98 % of observing positive results and around 57 % of probability in the case of closed-loop recycling, under the assumptions made. Yet, in a future scenario where decarbonized electricity would decrease oil prices, the probability of a positive outcome reduces to 57 % for the open-loop case and to less than 8 % in the case of closed-loop recycling. To make these pathways attractive to investors, the nameplate capacity should be at least 70 kt/year for open-loop recycling and 115 kt/year for closed-loop recycling. A 120 kt/year plant should operate minimally at 80 % of its capacity for open-loop recycling, while closed-loop recycling would demand running close to maximum capacity. Security of feedstock supply therefore is required.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000579071300078 Publication Date 2020-05-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0959-6526 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 11.1 Times cited Open Access
Notes This work was supported by the VLAIO Catalisti-ICON project MATTER (Mechanical and Thermochemical Recycling of mixed plastic waste; project HBC.2018.0262). Approved Most recent IF: 11.1; 2020 IF: 5.715
Call Number ENM @ enm @c:irua:170005 Serial 6386
Permanent link to this record
 
 
Author Sui, Y.; Jiang, Y.; Moretti, M.; Vlaeminck, S.E.
Title Harvesting time and biomass composition affect the economics of microalgae production Type A1 Journal article
Year (down) 2020 Publication Journal Of Cleaner Production Abbreviated Journal J Clean Prod
Volume 259 Issue Pages 120782-10
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Engineering Management (ENM)
Abstract Cost simulations provide a strong tool to render the production of microalgae economically viable. This study evaluated the unexplored effect of harvesting time and the corresponding microalgal biomass composition on the overall production cost, under both continuous light and light/dark regime using techno-economic analysis (TEA). At the same time, the TEA gives evidence that a novel product “proteinaceous salt” from Dunaliella microalgae production is a promising high-value product for commercialization with profitability. The optimum production scenario is to employ natural light/dark regime and harvest microalgal biomass around late exponential phase, obtaining the minimum production cost of 11 €/kg and a profitable minimum selling price (MSP) of 14.4 €/kg for the “proteinaceous salt”. For further optimization of the production, increasing microalgal biomass concentration is the most effective way to reduce the total production cost and increase the profits of microalgae products.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000530695500009 Publication Date 2020-02-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0959-6526 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 11.1 Times cited 5 Open Access
Notes ; This work was supported by the China Scholarship Council (File No. 201507650015) and the MIP i-Cleantech Flanders (Milieu-innovatieplatform; Environment innovation platform) project Microbial Nutrients on Demand (MicroNOD). ; Approved Most recent IF: 11.1; 2020 IF: 5.715
Call Number UA @ admin @ c:irua:166802 Serial 6531
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Author Sebhatu, K.T.; Gezahegn, T.W.; Berhanu, T.; Maertens, M.; Van Passel, S.; D’Haese, M.
Title Conflict, fraud, and distrust in Ethiopian agricultural cooperatives Type A1 Journal Article
Year (down) 2020 Publication Journal of Co-operative Organization and Management Abbreviated Journal Journal of Co-operative Organization and Management
Volume 8 Issue 1 Pages 100106
Keywords A1 Journal Article; Agricultural cooperatives; Cooperative size; Conflict; Fraud; Distrust; Ethiopia; Engineering Management (ENM) ;
Abstract Agricultural cooperatives are seen as an efficient way for smallholder farmers to create bargaining power in order to achieve poverty reduction and food security. However, the success of these cooperatives depends on their ability to maintain their social capital, which is at the core of collective action. A few studies have addressed issues of member participation, commitment, and trust, yet less is known about rural cooperatives in developing countries as a social organization. It is also unclear whether a relationship exists between cooperative size and the incidence of conflict, fraud, and distrust. Using unique data collected from 511 agricultural cooperatives in 12 districts of Tigray region in northern Ethiopia, this paper examines the effects of cooperative size on conflict, fraud, and distrust. We used instrumental variables (IV) probit estimation techniques, accounting for endogeneity of membership size, to confirm that cooperative size does affect the occurrence of conflict, fraud, and trust. The results also indicate that other influencing factors include: cooperative age, number of employees, payment of dividends based on transaction volume, and heterogeneity of member goals.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000536594400001 Publication Date 2020-04-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2213297X ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes The authors would like to thank the office of the twelve districts, facilitators and Cooperative Promotion Agency staff for their collaboration in facilitating the field survey, most of all the chair- and vice-chairpersons of the study Agricultural Cooperatives who had to respond to all our questions with seriousness and patience. Approved Most recent IF: NA
Call Number ENM @ enm @c:irua:170073 Serial 6379
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Author Trenchev, G.; Bogaerts, A.
Title Dual-vortex plasmatron: A novel plasma source for CO2 conversion Type A1 Journal article
Year (down) 2020 Publication Journal Of Co2 Utilization Abbreviated Journal J Co2 Util
Volume 39 Issue Pages 101152
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Atmospheric pressure gliding arc (GA) discharges are gaining increasing interest for CO2 conversion and other gas conversion applications, due to their simplicity and high energy efficiency. However, they are characterized by some drawbacks, such as non-uniform gas treatment, limiting the conversion, as well as the development of a hot cathode spot, resulting in severe electrode degradation. In this work, we built a dual-vortex plasmatron, which is a GA plasma reactor with innovative electrode configuration, to solve the above problems. The design aims to improve the CO2 conversion capability of the GA reactor by elongating the arc in two directions, to increase the residence time of the gas inside the arc, and to actively cool the cathode spot by rotation of the arc and gas convection. The measured CO2 conversion and corresponding energy efficiency indeed look very promising. In addition, we developed a fluid dynamics non-thermal plasma model with argon chemistry, to study the arc behavior in the reactor and to explain the experimental results.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000546648400008 Publication Date 2020-03-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2212-9820 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.7 Times cited Open Access
Notes Fund for Scientific Research – Flanders, G.0383.16N 11U53.16N ; Hercules Foundation, the Flemish Government; UAntwerpen; We acknowledge financial support from the Fund for Scientific Research – Flanders (FWO); grant numbers G.0383.16N and 11U53.16N. 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. We would also like to thank G. Van Loon from the University of Antwerp for building the DVP reactor. Approved Most recent IF: 7.7; 2020 IF: 4.292
Call Number PLASMANT @ plasmant @c:irua:167593 Serial 6356
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Author Dinh, D.K.; Trenchev, G.; Lee, D.H.; Bogaerts, A.
Title Arc plasma reactor modification for enhancing performance of dry reforming of methane Type A1 Journal article
Year (down) 2020 Publication Journal Of Co2 Utilization Abbreviated Journal J Co2 Util
Volume 42 Issue Pages 101352
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Arc plasma technology is gaining increasing interest for a variety of chemical reaction applications. In this study, we demonstrate how modifying the reactor geometry can significantly enhance the chemical reaction perfor­mance. Using dry reforming of methane as a model reaction, we studied different rotating arc reactors (con­ventional rotating arc reactor and nozzle-type rotating arc reactor) to evaluate the effect of attaching a downstream nozzle. The nozzle structure focuses the heat to a confined reaction volume, resulting in enhanced heat transfer from the arc into gas activation and reduced heat losses to the reactor walls. Compared to the conventional rotating arc reactor, this yields much higher CH4 and CO2 conversion (i.e., 74% and 49%, respectively, versus 40% and 28% in the conventional reactor, at 5 kJ/L) as well as energy efficiency (i.e., 53% versus 36%). The different performance in both reactors was explained by both experiments (measurements of temperature and oscillogram of current and voltage) and numerical modelling of the gas flow dynamics, heat transfer and fluid plasma of the reactor chambers. The results provide important insights for design optimization of arc plasma reactors for various chemical reactions.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000599717000009 Publication Date 2020-11-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2212-9820 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.7 Times cited Open Access
Notes Korea Institute of Machinery and Materials, NK225F and NG0340) ; This work is supported by the Institutional research program (NK225F and NG0340) of the Korea Institute of Machinery and Materials. Approved Most recent IF: 7.7; 2020 IF: 4.292
Call Number PLASMANT @ plasmant @c:irua:173859 Serial 6431
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Author Odin, G.P.; Belhadj, O.; Vanmeert, F.; Janssens, K.; Wattiaux, A.; Francois, A.; Rouchon, V.
Title Study of the influence of water and oxygen on the morphology and chemistry of pyritized lignite: Implications for the development of a preventive drying protocol Type A1 Journal article
Year (down) 2020 Publication Journal Of Cultural Heritage Abbreviated Journal J Cult Herit
Volume 42 Issue Pages 117-130
Keywords A1 Journal article; Art; History; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Lignite constitutes a unique testimony of past diversity and evolution of land plants. This material, usually waterlogged, is particularly difficult to dry because of its mechanical sensitivity to moisture changes. In addition, lignite may contain organic and inorganic sulfides, which are susceptible to oxidation once excavated. As a result, the conservation of lignite is particularly complicated and lignite remains scarce in paleobotanical collections. We experimentally test different drying protocols on waterlogged pyritized lignite, while documenting the respective role of water and oxygen on their morphology and chemistry. The results reveal that inorganic sulfides (pyrite) are more prone to oxidation than organic sulfides (thioethers). Critically, water is the main factor responsible for this oxidation, provoking sulfate efflorescence when samples are further exposed to oxygen. On the other hand, an abrupt removal of water provokes significant mechanical damage while sulfur remains mostly present as reduced compounds. The control of water and oxygen exchanges is thus critical for conserving lignite without physical damage and efflorescence. We successfully achieved this by storing the samples in hermetically sealed plastic bags made of semi-permeable films, which slowly release humidity while allowing a gradual influx of oxygen. We advise curators to quickly handle lignite once removed from its waterlogged environment because of the fast kinetics of oxidation, and to choose a drying protocol according to the purpose of the lignite treated. Finally, once dried, we advise to store the lignite in an anhydrous environment. (C) 2019 Elsevier Masson SAS. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000525864000013 Publication Date 2019-09-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1296-2074 ISBN Additional Links UA library record; WoS full record
Impact Factor 3.1 Times cited Open Access
Notes ; This research was funded by a doctoral school grant from the Museum National d'Histoire Naturelle (Paris, France) and a post-doctoral grant from SU (Paris, France; Convergence program, ACOPAL project). We thank SOLEIL for provision of synchrotron radiation facilities (proposals 20130462and 0110189). We are grateful to Ronan Allain, Renaud Vacant and Dario de Franceschi for access to excavation sites and fruitful discussions, to the LUCIA beamline staff (D.Vantelon, N.Trcera, P.Lagarde, A.-M.Flank) and the AGLAE team (Quentin Lemasson, Brice Moignard, Claire Pacheco and Laurent Pichon) for support during allocated beamtime. We acknowledge the ICMCB (Bordeaux, France) and the ISA (Villeurbanne, France) for elemental quantifications. Finally, we thank two anonymous reviewers who helped to improve a previous version of the manuscript. ; Approved Most recent IF: 3.1; 2020 IF: 1.838
Call Number UA @ admin @ c:irua:168651 Serial 6619
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Author Alvarez-Martin, A.; McHugh, K.; Martin, C.; Kavich, G.; Kaczkowski, R.
Title Understanding air-tight case environments at the National Museum of the American Indian (Smithsonian Institution) by SPME-GC-MS analysis Type A1 Journal article
Year (down) 2020 Publication Journal Of Cultural Heritage Abbreviated Journal J Cult Herit
Volume 44 Issue Pages 38-46
Keywords A1 Journal article; Art; History; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Some volatile organic compounds (VOCs), generated and accumulated in exhibition cases, are capable of inducing degradation in historical artifacts. In this context, it is of special importance to distinguish between VOCs emitted by the construction materials and/or the historical objects, with the ultimate goal of proposing an appropriate mitigation strategy. To pursue this goal, a comprehensive analysis based on solid phase microextraction (SPME) coupled to gas chromatography-mass spectrometry (GC-MS) has been optimized. The sampling setup used in this study does not require any modification of the exhibition design, and the testing remained nearly invisible and unobtrusive to museum visitors. This methodology has been applied to an issue encountered at the National Museum of the American Indian (Smithsonian Institution), where an unpleasant smell was detected in airtight exhibition cases already on display containing sensitive historical objects. The analysis of the volatiles emitted by construction materials allowed for identification of characteristic markers emitted by each material, and the ability to identify their overall contribution in the exhibition case. Via this method, SPME-GC-MS confirmed via the detection of some specific markers that the unpleasant smell was released by one of the construction materials and had accumulated in the exhibition case. In addition, due to the measurements taken in different positions around the exhibition cases, results were useful to point out the range of efficiency of the sorbent material placed in some of the exhibition cases as a first attempt of mitigation technique. (C) 2020 Elsevier Masson SAS. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000560473700004 Publication Date 2020-02-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1296-2074 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.1 Times cited Open Access
Notes Approved Most recent IF: 3.1; 2020 IF: 1.838
Call Number UA @ admin @ c:irua:181927 Serial 8706
Permanent link to this record
 
 
Author Van Oijstaeijen, W.; Van Passel, S.; Cools, J.
Title Urban green infrastructure: A review on valuation toolkits from an urban planning perspective Type A1 Journal Article
Year (down) 2020 Publication Journal Of Environmental Management Abbreviated Journal J Environ Manage
Volume 267 Issue Pages 110603
Keywords A1 Journal Article; Engineering Management (ENM) ;
Abstract As a response to increasing urbanization and changing weather and climatic patterns, urban green infrastructure (UGI) emerged as a concept to increase resilience within the urban boundaries. Given that implementing these (semi-) natural solutions in practice requires a clear overview of the costs and benefits, valuation becomes ever important. A range of decision-support tools for green infrastructure and ecosystem services exist, developed for various purposes. This paper reviews the potential of 10 shortlisted and existing valuation tools to support investment decisions of urban green infrastructure. In the assessment, the functionality is regarded specifically from the urban planning and decision-making viewpoint. The toolkits were evaluated on 12 different criteria. After analyzing the toolkits on these criteria, the findings are evaluated on the (mis)match with specific requirements in the urban planning and management context. Secondly, recommendations and guidelines are formulated to support the design of simple valuation tools, tailored to support the development of green infrastructure in urban areas. Approaching the valuation toolkits biophysically and (socio-)economically provides an integral overview of the challenges and opportunities of the capacities of each framework. It was found that most tools are not designed for the peculiarities of the urban context. Several elements contribute to the hampering uptake of GI valuation tools. Firstly, the limited effort in the economic case for green infrastructure remains a burden to use toolkits to compare grey and green alternatives. Secondly, tools are currently seldom designed for the peculiarities of cities: urban ecosystem (dis)services, multi-scalability, life-span assessments of co-benefits and the importance of social benefits. Thirdly, toolkits should be the result of co-development between the scientific community and local authorities in order to create toolkits that are tailor made to the specific needs in the urban planning process. It can be concluded that current tools, are not readily applicable to support decision making as such. However, if applied cautiously, they can have an indicative role to pinpoint further targeted and in-depth analyses.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000533525100040 Publication Date 2020-04-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0301-4797 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.7 Times cited Open Access
Notes Nature Smart Cities across the 2 Seas is an Interreg 2 Seas co-funded project to the value of €6,380,472. It consists of a total of 11 Partners from 4 EU Member States, who will work together to develop a business model that local authorities can use to justify the use of ‘city finance’ to fund their urban greening programmes. This project has received funding from the Interreg 2 Seas programme 2014-2020 co-funded by the European Regional Development Fund under subsidy contract No 2S05-048. Approved Most recent IF: 8.7; 2020 IF: 4.01
Call Number ENM @ enm @c:irua:169448 Serial 6384
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Author Cagno, S.; Lind, O.C.; Popic, J.M.; Skipperud, L.; De Nolf, W.; Nuyts, G.; Vanmeert, F.; Jaroszewicz, J.; Janssens, K.; Salbu, B.
Title Micro-analytical characterization of thorium-rich aggregates from Norwegian NORM sites (Fen Complex, Telemark) Type A1 Journal article
Year (down) 2020 Publication Journal Of Environmental Radioactivity Abbreviated Journal J Environ Radioactiv
Volume 219 Issue Pages 106273
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract In this study we performed microscopic characterization of mineral particles that were collected in the thorium-rich Fen Complex in Norway and identified and isolated based on autoradiography in function of their radioactivity. For this we combined information obtained with X-ray absorption mu-CT, mu-XRF and mu-XRD, both in bi- and in three-dimensional (tomographic) mode. We demonstrate that radionuclides and metals are heterogeneously distributed both within soil samples and within individual Th-enriched aggregates, which are characterised as low-density mineral bulk particles with high density material inclusions, where Th as well as several metals are highly concentrated. For these sites, it is important to take into account how these inhomogeneous distributions could affect the overall environmental behaviour of Th and progeny upon weathering due to human or environmental factors. Moreover, the estimated size of the Th-containing inclusions as determined in this work represents information of importance for the characterization of radionuclides and toxic metals exposure, as well as for assessing the viability of mining for Th and rare-earth metals in the Fen Complex and the associated environmental impact.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000535130500005 Publication Date 2020-04-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0265-931x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.3 Times cited Open Access
Notes Approved Most recent IF: 2.3; 2020 IF: 2.31
Call Number UA @ admin @ c:irua:181195 Serial 8229
Permanent link to this record
 
 
Author Kardel, F.; Wuyts, K.; De Wael, K.; Samson, R.
Title Assessing atmospheric dry deposition via water-soluble ionic composition of roadside leaves Type A1 Journal article
Year (down) 2020 Publication Journal of environmental science and health : part A: toxic/hazardous substances and environmental engineering Abbreviated Journal
Volume Issue Pages 1-9
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract This study focuses on the water-soluble ion concentrations in the washing solution of leaves of different roadside tree species at three sites in Iran to estimate the ionic composition of the dry deposition of ambient air particulates. All considered water-soluble ion concentrations were significantly higher next to the roads with high traffic density compared to the reference site with low traffic density. The PCA results showed that Ca2+, Mg2+, and originated mainly from traffic activities and geological sources, and Na+, Cl-, K+ and F- from sea salts. In addition to sea salt, K+ and F- were also originated from anthropogenic sources i.e. industrial activities, biomass burning and fluorite mining. Moreover, the concentration of the water-soluble ions depended on species and site. C. lawsoniana had significantly higher ion concentrations in its leaf washing solution compared to L. japonicum and P. brutia which indicates C. lawsoniana is the most suitable species for accumulating of atmospheric dry deposition. From our results, it can be concluded that sites with similar traffic density can have different particle loads and water-soluble ion species, and that concentrations in leaf-washing solutions depend on site conditions and species-specific leaf surface characteristics.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000527821700001 Publication Date 2020-04-21
Series Editor Series Title Abbreviated Series Title
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:169584 Serial 6451
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Author Borah, R.; Gupta, S.; Mishra, L.; Chhabra, R.P.
Title Heating of liquid foods in cans: Effects of can geometry, orientation, and food rheology Type A1 Journal article
Year (down) 2020 Publication Journal Of Food Process Engineering Abbreviated Journal J Food Process Eng
Volume Issue Pages e13420-24
Keywords A1 Journal article; Pharmacology. Therapy; Sustainable Energy, Air and Water Technology (DuEL)
Abstract In this work, the effect of geometry and orientation of food cans on the heating characteristics of processed liquid foods and the resulting lethality target values as a function of the processing times have been investigated. For this purpose, the governing differential equations have been solved numerically for elliptical and cylindrical cans of varying aspect ratios in different orientations in order to delineate their effect on the heating rate (especially of the slowest heating zone [SHZ]) and lethality values over wide ranges of rheological features including shear thinning (n < 1), Newtonian (n = 1), and shear thickening (n > 1) behaviors. The flow and heat transfer characteristics were analyzed with the help of velocity vectors, isotherm contours, average Nusselt number, SHZ temperature and heat penetration parameters, and lethality target values. Also, comparisons were made in terms of the sterilization time and heat penetration parameters to identify the preferable geometries and orientations of food cans for effective heating of non-Newtonian foodstuffs. Finally, favorable conditions in terms of the shape and orientation of the can and the rheological properties have been delineated which lead to superior heating characteristics. Practical Applications Processed foodstuffs are produced in various forms ranging from that in solid, liquid, or as heterogeneous mixtures. Often such liquid and heterogeneous suspensions products are viscous non-Newtonian in character and their thermal processing (including pasteurization, sterilization, etc.) tends to be much more challenging than that of their Newtonian counterparts like air and water. This work explores heating of non-Newtonian liquid foodstuffs in cans of various shapes, geometries and in different orientations in the free convection regime. The results show that depending upon the rheological properties of the products, some orientations and/or geometries offer potential advantages in terms of shorter processing times and lethality values. This information can be of great potential in customizing the design of containers for different food products as well as of different rheological properties.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000526147100001 Publication Date 2020-04-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0145-8876 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3 Times cited 2 Open Access
Notes ; Science and Engineering Research Board, Department of Science and Technology, Government of India, New Delhi, Grant/Award Number: SB/S2/JCB-06/2014 ; Approved Most recent IF: 3; 2020 IF: 1.37
Call Number UA @ admin @ c:irua:168539 Serial 6532
Permanent link to this record
 
 
Author Tian, F.; Wang, Y.; Sandhu, H.S.; Gielis, J.; Shi, P.
Title Comparison of seed morphology of two ginkgo cultivars Type A1 Journal article
Year (down) 2020 Publication Journal Of Forestry Research Abbreviated Journal J Forestry Res
Volume 31 Issue 3 Pages 751-758
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Ginkgo biloba L. is a precious relic tree species with important economic value. Seeds, as a vital reproductive organ of plants, can be used to distinguish cultivars of the species. We chose 400 seeds from two cultivars of ginkgo (Fozhi and Maling; 200 seeds for each cultivar) as the study material and used the Gielis equation to fit the projected shape of these seeds. The coefficients of variation (CV) in root mean squared errors (RMSE) obtained from the fitted data were used to compare the level of inter-cultivar variations in seed shape. We also used the covariance analysis to compare the allometric relationships between seed weights and projected areas of these two cultivars. The Gielis equation fitted well the seed shapes of two ginkgo cultivars. The lower CV in RMSE of cultivar Fozhi than Maling indicated a less symmetrical seed shape in the latter than the former. The bootstrap percentile method showed that the seed shape differences between the two cultivars were significant. However, there was no significant difference in the exponents between the seed weights and the projected areas of these two cultivars. Overall, the significant differences in shapes between the seeds of two ginkgo cultivars were well explained by the Gielis equation; this model can be further extended to compare morphological differences in other ginkgo cultivars, and even for plant seeds or animal eggs that have similar oval shapes.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000529367600005 Publication Date 2018-07-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1007-662x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3 Times cited 3 Open Access
Notes ; ; Approved Most recent IF: 3; 2020 IF: 0.774
Call Number UA @ admin @ c:irua:154987 Serial 6474
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Author Idrissi, H.; Samaee, V.; Lumbeeck, G.; Werf, T.; Pardoen, T.; Schryvers, D.; Cordier, P.
Title In Situ Quantitative Tensile Testing of Antigorite in a Transmission Electron Microscope Type A1 Journal article
Year (down) 2020 Publication Journal Of Geophysical Research-Solid Earth Abbreviated Journal J Geophys Res-Sol Ea
Volume 125 Issue 3 Pages
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The determination of the mechanical properties of serpentinites is essential toward the understanding of the mechanics of faulting and subduction. Here we present the first in situ tensile tests on antigorite in a transmission electron microscope. A push‐to‐pull deformation device is used to perform quantitative tensile tests, during which force and displacement are measured, while the evolving microstructure is imaged with the microscope. The experiments have been performed at room temperature on 2 × 1 × 0.2 μm3 beams prepared by focused ion beam. The specimens are not single crystals despite their small sizes. Orientation mapping indicated that several grains were well oriented for plastic slip. However, no dislocation activity has been observed even though the engineering tensile stress went up to 700 MPa. We show also that antigorite does not exhibit a purely elastic‐brittle behavior since, despite the presence of defects, the specimens accumulate permanent deformation and did not fail within the elastic regime. Instead, we observe that strain localizes at grain boundaries. All observations concur to show that under these experimental conditions, grain boundary sliding is the dominant deformation mechanism. This study sheds a new light on the mechanical properties of antigorite and calls for further studies on the structure and properties of grain boundaries in antigorite and more generally in phyllosilicates.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000530895800023 Publication Date 2020-02-20
Series Editor Series Title Abbreviated Series Title
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ISSN 2169-9313 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.9 Times cited Open Access OpenAccess
Notes We thank S. Guillot for having kindly provided us with the two antigorite samples investigated in this study. We acknowledge funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation program under Grant Agreement 787198—TimeMan. H. Idrissi is mandated by the Belgian National Fund for Scientific Research (FSR‐FNRS). We acknowledge fruitful discussions with A. Baronnet. We thank J. Gasc and an anonymous reviewer for their critical comments. Data (movies of the three in situ deformation experiments) can be downloaded (from https://doi.org/10.5281/zenodo.3583135). Approved Most recent IF: 3.9; 2020 IF: 3.35
Call Number EMAT @ emat @c:irua:167594 Serial 6355
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Author Van Oijstaeijen, W.; Van Passel, S.; Cools, J.; Janssens de Bisthoven, L.; Huge, J.; Berihun, D.; Ejigu, N.; Nyssen, J.
Title Farmers' preferences towards water hyacinth control : a contingent valuation study Type A1 Journal article
Year (down) 2020 Publication Journal Of Great Lakes Research Abbreviated Journal J Great Lakes Res
Volume 46 Issue 5 Pages 1459-1468
Keywords A1 Journal article; Engineering Management (ENM)
Abstract Lake Tana is the most important freshwater lake in Ethiopia. Besides pressures on water quality resulting from urbanization and deforestation, the invasion of the exotic water hyacinth (Eichhornia crassipes) poses new threats to the ecosystem. Water hyacinth, endemic to South America, is widely considered as the world's worst aquatic invasive weed. In 2011, the weed appeared on the northern shores of Lake Tana, expanding in south-eastern direction. The lake area affected by water hyacinth was last estimated in 2015 at 34,500 ha, which equals 16% of the total lake surface. In this research, the benefits of water hyacinth control and eradication for the rural population inhabiting the northern and northeastern villages bordering Lake Tana, are investigated. In the area, the population largely depends on farming and fishing. An assessment of the total economic benefit of eradication was conducted. The stakeholder-centered approach led to measuring the willingness to contribute in labor and cash terms. Results showed smallholders in the study are willing to contribute over half-a-million euros annually. Costs of management actions can be weighed to the benefits, where further research is needed on the impact on other stakeholder groups. Moreover, wetland management should advance to explore multiple pathways in an integrated approach: water hyacinth control, water hyacinth utilization and sustainable waste water management. (C) 2020 International Association for Great Lakes Research. Published by Elsevier B.V. All rights reserved.
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Publisher Place of Publication Editor
Language Wos 000579717900036 Publication Date 2020-06-27
Series Editor Series Title Abbreviated Series Title
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ISSN 0380-1330 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.2 Times cited Open Access
Notes Approved Most recent IF: 2.2; 2020 IF: 1.958
Call Number UA @ admin @ c:irua:173644 Serial 6925
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Author Ozcan, M.; Ozen, S.; Yagmurcukardes, M.; Sahin, H.
Title Structural, electronic and vibrational properties of ultra-thin octahedrally coordinated structure of EuO2 Type A1 Journal article
Year (down) 2020 Publication Journal Of Magnetism And Magnetic Materials Abbreviated Journal J Magn Magn Mater
Volume 493 Issue 493 Pages 165668
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Novel stable ultra-thin phases of europium oxide are investigated by means of state-of-the-art first principles calculations. Total energy calculations show that single layers of EuO2 and Eu(OH)(2) can be stabilized in an octahedrally coordinated (1T) atomic structure. However, phonon calculations reveal that although both structures are energetically feasible, only the 1T-EuO2 phase has dynamical stability. The phonon spectrum of 1T-EuO2 displays three Raman active modes; a non-degenerate out-of-plane A(1g) mode at 353.5 cm(-1) and two doubly-degenerate in-plane E-g modes at 304.3 cm(-1). Furthermore, magnetic ground state and electronic band dispersion calculations show that the single layer EuO2 is a metal with net magnetic moment of 5(mu B) per unitcell resulting in a half-metallic ferrimagnetic behavior. Moreover, robustness of the half-metallic ferrimagnetic characteristics of EuO2 is confirmed by the application of electric field and charging. Single layer 1T-EuO2, with its stable ultra-thin structure and half-metallic ferrimagnetic feature, is a promising novel material for nanoscale electronic and spintronic applications.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000486397800003 Publication Date 2019-08-03
Series Editor Series Title Abbreviated Series Title
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ISSN 0304-8853 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.7 Times cited 1 Open Access
Notes ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). HS acknowledges financial support from the TUBITAK under the project number 117F095. MY is supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship. ; Approved Most recent IF: 2.7; 2020 IF: 2.63
Call Number UA @ admin @ c:irua:162755 Serial 6323
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