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Author | Peerenboom, K.; Parente, A.; Kozák, T.; Bogaerts, A.; Degrez, G. | ||||
Title | Dimension reduction of non-equilibrium plasma kinetic models using principal component analysis | Type | A1 Journal article | ||
Year | 2015 | Publication | Plasma sources science and technology | Abbreviated Journal | Plasma Sources Sci T |
Volume | 24 | Issue | 24 | Pages | 025004 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | The chemical complexity of non-equilibrium plasmas poses a challenge for plasma modeling because of the computational load. This paper presents a dimension reduction method for such chemically complex plasmas based on principal component analysis (PCA). PCA is used to identify a low-dimensional manifold in chemical state space that is described by a small number of parameters: the principal components. Reduction is obtained since continuity equations only need to be solved for these principal components and not for all the species. Application of the presented method to a CO2 plasma model including state-to-state vibrational kinetics of CO2 and CO demonstrates the potential of the PCA method for dimension reduction. A manifold described by only two principal components is able to predict the CO2 to CO conversion at varying ionization degrees very accurately. | ||||
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Publisher | Institute of Physics | Place of Publication | Bristol | Editor | |
Language | Wos | 000356816200008 | Publication Date | 2015-01-27 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0963-0252;1361-6595; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.302 | Times cited | 11 | Open Access | |
Notes | Approved | Most recent IF: 3.302; 2015 IF: 3.591 | |||
Call Number | c:irua:123534 | Serial | 704 | ||
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Author | Kozák, T.; Bogaerts, A. | ||||
Title | Evaluation of the energy efficiency of CO2 conversion in microwave discharges using a reaction kinetics model | Type | A1 Journal article | ||
Year | 2015 | Publication | Plasma sources science and technology | Abbreviated Journal | Plasma Sources Sci T |
Volume | 24 | Issue | 24 | Pages | 015024 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | We use a zero-dimensional reaction kinetics model to simulate CO2 conversion in microwave discharges where the excitation of the vibrational levels plays a significant role in the dissociation kinetics. The model includes a description of the CO2 vibrational kinetics, taking into account state-specific VT and VV relaxation reactions and the effect of vibrational excitation on other chemical reactions. The model is used to simulate a general tubular microwave reactor, where a stream of CO2 flows through a plasma column generated by microwave radiation. We study the effects of the internal plasma parameters, namely the reduced electric field, electron density and the total specific energy input, on the CO2 conversion and its energy efficiency. We report the highest energy efficiency (up to 30%) for a specific energy input in the range 0.41.0 eV/molecule and a reduced electric field in the range 50100 Td and for high values of the electron density (an ionization degree greater than 10−5). The energy efficiency is mainly limited by the VT relaxation which contributes dominantly to the vibrational energy losses and also contributes significantly to the heating of the reacting gas. The model analysis provides useful insight into the potential and limitations of CO2 conversion in microwave discharges. | ||||
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Publisher | Institute of Physics | Place of Publication | Bristol | Editor | |
Language | Wos | 000348298200025 | Publication Date | 2014-12-23 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0963-0252;1361-6595; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.302 | Times cited | 100 | Open Access | |
Notes | Approved | Most recent IF: 3.302; 2015 IF: 3.591 | |||
Call Number | c:irua:122243 | Serial | 1087 | ||
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Author | Lindner, H.; Murtazin, A.; Groh, S.; Niemax, K.; Bogaerts, A. | ||||
Title | Simulation and experimental studies on plasma temperature, flow velocity, and injector diameter effects for an inductively coupled plasma | Type | A1 Journal article | ||
Year | 2011 | Publication | Analytical chemistry | Abbreviated Journal | Anal Chem |
Volume | 83 | Issue | 24 | Pages | 9260-9266 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | An inductively coupled plasma (ICP) is analyzed by means of experiments and numerical simulation. Important plasma properties are analyzed, namely, the effective temperature inside the central channel and the mean flow velocity inside the plasma. Furthermore, the effect of torches with different injector diameters is studied by the model. The temperature inside the central channel is determined from the end-on collected line-to-background ratio in dependence of the injector gas flow rates. Within the limits of 3% deviation, the results of the simulation and the experiments are in good agreement in the range of flow rates relevant for the analysis of relatively large droplets, i.e., 50 μm. The deviation increases for higher gas flow rates but stays below 6% for all flow rates studied. The velocity of the gas inside the coil region was determined by side-on analyte emission measurements with single monodisperse droplet introduction and by the analysis of the injector gas path lines in the simulation. In the downstream region significantly higher velocities were found than in the upstream region in both the simulation and the experiment. The quantitative values show good agreement in the downstream region. In the upstream region, deviations were found in the absolute values which can be attributed to the flow conditions in that region and because the methods used for velocity determination are not fully consistent. Eddy structures are found in the simulated flow lines. These affect strongly the way taken by the path lines of the injector gas and they can explain the very long analytical signals found in the experiments at low flow rates. Simulations were performed for different injector diameters in order to find conditions where good analyte transport and optimum signals can be expected. The results clearly show the existence of a transition flow rate which marks the lower limit for effective analyte transport conditions through the plasma. A rule-of-thumb equation was extracted from the results from which the transition flow rate can be estimated for different injector diameters and different injector gas compositions. | ||||
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Publisher | Place of Publication | Washington, D.C. | Editor | ||
Language | Wos | 000297946900013 | Publication Date | 2011-07-29 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0003-2700;1520-6882; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 6.32 | Times cited | 34 | Open Access | |
Notes | Approved | Most recent IF: 6.32; 2011 IF: 5.856 | |||
Call Number | UA @ lucian @ c:irua:94001 | Serial | 3009 | ||
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Author | Kolev, S.; Bogaerts, A. | ||||
Title | Similarities and differences between gliding glow and gliding arc discharges | Type | A1 Journal article | ||
Year | 2015 | Publication | Plasma sources science and technology | Abbreviated Journal | Plasma Sources Sci T |
Volume | 24 | Issue | 24 | Pages | 065023 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | In this work we have analyzed the properties of a gliding dc discharge in argon at atmospheric pressure. Despite the usual designation of these discharges as ‘gliding arc discharges’, it was found previously that they operate in two different regimes—glow and arc. Here we analyze the differences in both regimes by means of two dimensional fluid modeling. In order to address different aspects of the discharge operation, we use two models—Cartesian and axisymmetric in a cylindrical coordinate system. The obtained results show that the two types of discharges produce a similar plasma column for a similar discharge current. However, the different mechanisms of plasma channel attachment to the cathode could produce certain differences in the plasma parameters (i.e. arc elongation), and this can affect gas treatments applications. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000368117100028 | Publication Date | 2015-11-26 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0963-0252;1361-6595; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.302 | Times cited | 12 | Open Access | |
Notes | This work is financially supported by the Methusalem financing and by the IAP/7 (Inter-university Attraction Pole) program ‘Physical Chemistry of Plasma-Surface Interactions’ from the Belgian Federal Office for Science Policy (BELSPO). The work was carried out in part using the Turing HPC infrastructure of the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the Universiteit Antwerpen | Approved | Most recent IF: 3.302; 2015 IF: 3.591 | ||
Call Number | c:irua:129214 | Serial | 3952 | ||
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Author | Heirman, P.; Van Boxem, W.; Bogaerts, A. | ||||
Title | Reactivity and stability of plasma-generated oxygen and nitrogen species in buffered water solution: a computational study | Type | A1 Journal article | ||
Year | 2019 | Publication | Physical chemistry, chemical physics | Abbreviated Journal | Phys Chem Chem Phys |
Volume | 21 | Issue | 24 | Pages | 12881-12894 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Plasma-treated liquids have great potential for biomedical applications. However, insight into the underlying mechanisms and the exact chemistry is still scarce. In this study, we present the combination of a 0D chemical kinetics and a 2D fluid dynamics model to investigate the plasma treatment of a buffered water solution with the kINPen (R) plasma jet. Using this model, we calculated the gas and liquid flow profiles and the transport and chemistry of all species in the gas and the liquid phase. Moreover, we evaluated the stability of the reactive oxygen and nitrogen species after plasma treatment. We found that of all species, only H2O2, HNO2/NO2-, and HNO3/NO3- are stable in the buffered solution after plasma treatment. This is because both their production and loss processes in the liquid phase are dependent on short-lived radicals (e.g. OH, NO, and NO2). Apart from some discrepancy in the absolute values of the concentrations, which can be explained by the model, all general trends and observations in our model are in qualitative agreement with experimental data and literature. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000472214000012 | Publication Date | 2019-05-29 | |
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 | 4.123 | Times cited | 7 | Open Access | |
Notes | Approved | Most recent IF: 4.123 | |||
Call Number | UA @ admin @ c:irua:161314 | Serial | 6320 | ||
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Author | Bogaerts, A. | ||||
Title | Modeling plasmas in analytical chemistry—an example of cross-fertilization | Type | A1 Journal article | ||
Year | 2020 | Publication | Analytical And Bioanalytical Chemistry | Abbreviated Journal | Anal Bioanal Chem |
Volume | 412 | Issue | 24 | Pages | 6059-6083 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | This paper gives an overview of the modeling work developed in our group in the last 25 years for various plasmas used in analytical spectrochemistry, i.e., glow discharges (GDs), inductively coupled plasmas (ICPs), and laser ablation (LA) for sample introduction in the ICP and for laser-induced breakdown spectroscopy (LIBS). The modeling approaches are briefly presented, which are different for each case, and some characteristic results are illustrated. These plasmas are used not only in analytical chemistry but also in other applications, and the insights obtained in these other fields were quite helpful for us to develop models for the analytical plasmas. Likewise, there is now a huge interest in plasma–liquid interaction, atmospheric pressure glow discharges (APGDs), and dielectric barrier discharges (DBDs) for environmental, medical, and materials applications of plasmas. The insights obtained in these fields are also very relevant for ambient desorption/ionization sources and for liquid sampling, which are nowadays very popular in analytical chemistry, and they could be very helpful in developing models for these sources as well. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000522701700005 | Publication Date | 2020-03-31 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1618-2642 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.3 | Times cited | Open Access | ||
Notes | M. Aghaei, Z. Chen, D. Autrique, T. Martens, and P. Heirman are gratefully acknowledged for their valuable efforts in the model developments illustrated in this paper. | Approved | Most recent IF: 4.3; 2020 IF: 3.431 | ||
Call Number | PLASMANT @ plasmant @c:irua:168600 | Serial | 6412 | ||
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Author | Biondo, O.; van Deursen, C.F.A.M.; Hughes, A.; van de Steeg, A.; Bongers, W.; van de Sanden, M.C.M.; van Rooij, G.; Bogaerts, A. | ||||
Title | Avoiding solid carbon deposition in plasma-based dry reforming of methane | Type | A1 Journal Article | ||
Year | 2023 | Publication | Green Chemistry | Abbreviated Journal | Green Chem. |
Volume | 25 | Issue | 24 | Pages | 10485-10497 |
Keywords | A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
Abstract | Solid carbon deposition is a persistent challenge in dry reforming of methane (DRM), affecting both classical and plasma-based processes. In this work, we use a microwave plasma in reverse vortex flow configuration to overcome this issue in CO<sub>2</sub>/CH<sub>4</sub>plasmas. Indeed, this configuration efficiently mitigates carbon deposition, enabling operation even with pure CH<sub>4</sub>feed gas, in contrast to other configurations. At the same time, high reactor performance is achieved, with CO<sub>2</sub>and CH<sub>4</sub>conversions reaching 33% and 44% respectively, at an energy cost of 14 kJ L<sup>−1</sup>for a CO<sub>2</sub> : CH<sub>4</sub>ratio of 1 : 1. Laser scattering and optical emission imaging demonstrate that the shorter residence time in reverse vortex flow lowers the gas temperature in the discharge, facilitating a shift from full to partial CH<sub>4</sub>pyrolysis. This underscores the pivotal role of flow configuration in directing process selectivity, a crucial factor in complex chemistries like CO<sub>2</sub>/CH<sub>4</sub>mixtures and very important for industrial applications. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 001110100100001 | Publication Date | 2023-11-24 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1463-9262 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 9.8 | Times cited | Open Access | ||
Notes | Universiteit Antwerpen; Nederlandse Organisatie voor Wetenschappelijk Onderzoek; HORIZON EUROPE Marie Sklodowska-Curie Actions, 813393 ; | Approved | Most recent IF: 9.8; 2023 IF: 9.125 | ||
Call Number | PLASMANT @ plasmant @c:irua:202138 | Serial | 8978 | ||
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Author | Wen, D.-Q.; Zhang, Q.-Z.; Jiang, W.; Song, U.-H.; Bogaerts, A.; Wang, Y.-N. | ||||
Title | Phase modulation in pulsed dual-frequency capacitively coupled plasmas | Type | A1 Journal article | ||
Year | 2014 | Publication | Journal of applied physics | Abbreviated Journal | J Appl Phys |
Volume | 115 | Issue | 23 | Pages | 233303 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Particle-in-cell/Monte Carlo collision simulations, coupled with an external circuit, are used to investigate the behavior of pulsed dual-frequency (DF) capacitively coupled plasmas (CCPs). It is found that the phase shift θ between the high (or low) frequency source and the pulse modulation has a great influence on the ion density and the ionization rate. By pulsing the high frequency source, the time-averaged ion density shows a maximum when θ = 90∘. The time-averaged ion energy distribution functions (IEDFs) at the driven electrode, however, keep almost unchanged, illustrating the potential of pulsed DF-CCP for independent control of ion density (and flux) and ion energy. A detailed investigation of the temporal evolution of the plasma characteristics indicates that several high frequency harmonics can be excited at the initial stage of a pulse period by tuning the phase shift θ, and this gives rise to strong sheath oscillations, and therefore high ionization rates. For comparison, the pulsing of the low frequency source is also studied. In this case, the ion density changes slightly as a function of time, and the time-averaged ion density shows the same trend as in the HF modulation for different phase shifts θ. Moreover, the time-averaged IEDFs at the driven electrode can be modulated, showing the potential to reduce the maximum ion bombardment energy. | ||||
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Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
Language | Wos | 000338106000008 | Publication Date | 2014-06-23 | |
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 | 2.068 | Times cited | 8 | Open Access | |
Notes | Approved | Most recent IF: 2.068; 2014 IF: 2.183 | |||
Call Number | UA @ lucian @ c:irua:117415 | Serial | 2585 | ||
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Author | Neyts, E.; Bogaerts, A.; de Meyer, M.; van Gils, S. | ||||
Title | Macroscale computer simulations to investigate the chemical vapor deposition of thin metal-oxide films | Type | A1 Journal article | ||
Year | 2007 | Publication | Surface and coatings technology | Abbreviated Journal | Surf Coat Tech |
Volume | 201 | Issue | 22/23 | Pages | 8838-8841 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
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Publisher | Place of Publication | Lausanne | Editor | ||
Language | Wos | 000249340400008 | Publication Date | 2007-05-02 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0257-8972; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.589 | Times cited | 5 | Open Access | |
Notes | Approved | Most recent IF: 2.589; 2007 IF: 1.678 | |||
Call Number | UA @ lucian @ c:irua:64790 | Serial | 1859 | ||
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Author | Zhang, Q.-Z.; Wang, Y.-N.; Bogaerts, A. | ||||
Title | Heating mode transition in a hybrid direct current/dual-frequency capacitively coupled CF4 discharge | Type | A1 Journal article | ||
Year | 2014 | Publication | Journal of applied physics | Abbreviated Journal | J Appl Phys |
Volume | 115 | Issue | 22 | Pages | 223302-223306 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Computer simulations based on the particle-in-cell/Monte Carlo collision method are performed to study the plasma characteristics and especially the transition in electron heating mechanisms in a hybrid direct current (dc)/dual-frequency (DF) capacitively coupled CF 4 discharge. When applying a superposed dc voltage, the plasma density first increases, then decreases, and finally increases again, which is in good agreement with experiments. This trend can be explained by the transition between the four main heating modes, i.e., DF coupling, dc and DF coupling, dc source dominant heating, and secondary electron dominant heating. | ||||
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Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
Language | Wos | 000337891800006 | Publication Date | 2014-06-11 | |
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 | 2.068 | Times cited | 9 | Open Access | |
Notes | Approved | Most recent IF: 2.068; 2014 IF: 2.183 | |||
Call Number | UA @ lucian @ c:irua:117347 | Serial | 1414 | ||
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Author | Wendelen, W.; Mueller, B.Y.; Autrique, D.; Bogaerts, A.; Rethfeld, B. | ||||
Title | Modeling ultrashort laser-induced emission from a negatively biased metal | Type | A1 Journal article | ||
Year | 2013 | Publication | Applied physics letters | Abbreviated Journal | Appl Phys Lett |
Volume | 103 | Issue | 22 | Pages | 221603-221604 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | A theoretical study of ultrashort laser-induced electron emission from a negatively biased metallic cathode has been performed. Classical as well as tunneling electron emission mechanisms are considered. It was found that electron emission is governed by an interplay of processes inside as well as above the cathode. A hybrid model is proposed, where the electron distribution within the target is retrieved from Boltzmann scattering integrals, while the charge distribution above it is studied by a Particle-In-Cell simulation. The results indicate that non-equilibrium effects determine the initial emission process, whereas the space charge above the target suppresses the effectively emitted charge. | ||||
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Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
Language | Wos | 000327696300020 | Publication Date | 2013-11-26 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 0003-6951; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.411 | Times cited | 8 | Open Access | |
Notes | Approved | Most recent IF: 3.411; 2013 IF: 3.515 | |||
Call Number | UA @ lucian @ c:irua:111815 | Serial | 2147 | ||
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Author | Bogaerts, A.; Neyts, E.C.; Rousseau, A. | ||||
Title | Special issue on fundamentals of plasmasurface interactions | Type | Editorial | ||
Year | 2014 | Publication | Journal of physics: D: applied physics | Abbreviated Journal | J Phys D Appl Phys |
Volume | 47 | Issue | 22 | Pages | 220301 |
Keywords | Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
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Publisher | Iop publishing ltd | Place of Publication | Bristol | Editor | |
Language | Wos | 000336207900001 | Publication Date | 2014-05-14 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0022-3727;1361-6463; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.588 | Times cited | 2 | Open Access | |
Notes | Approved | Most recent IF: 2.588; 2014 IF: 2.721 | |||
Call Number | UA @ lucian @ c:irua:116917 | Serial | 3068 | ||
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Author | Neyts, E.C.; Bogaerts, A. | ||||
Title | Understanding plasma catalysis through modelling and simulation : a review | Type | A1 Journal article | ||
Year | 2014 | Publication | Journal of physics: D: applied physics | Abbreviated Journal | J Phys D Appl Phys |
Volume | 47 | Issue | 22 | Pages | 224010 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Plasma catalysis holds great promise for environmental applications, provided that the process viability can be maximized in terms of energy efficiency and product selectivity. This requires a fundamental understanding of the various processes taking place and especially the mutual interactions between plasma and catalyst. In this review, we therefore first examine the various effects of the plasma on the catalyst and of the catalyst on the plasma that have been described in the literature. Most of these studies are purely experimental. The urgently needed fundamental understanding of the mechanisms underpinning plasma catalysis, however, may also be obtained through modelling and simulation. Therefore, we also provide here an overview of the modelling efforts that have been developed already, on both the atomistic and the macroscale, and we identify the data that can be obtained with these models to illustrate how modelling and simulation may contribute to this field. Last but not least, we also identify future modelling opportunities to obtain a more complete understanding of the various underlying plasma catalytic effects, which is needed to provide a comprehensive picture of plasma catalysis. | ||||
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Publisher | Iop publishing ltd | Place of Publication | Bristol | Editor | |
Language | Wos | 000336207900011 | Publication Date | 2014-05-14 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 0022-3727;1361-6463; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.588 | Times cited | 130 | Open Access | |
Notes | Approved | Most recent IF: 2.588; 2014 IF: 2.721 | |||
Call Number | UA @ lucian @ c:irua:116920 | Serial | 3803 | ||
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Author | Dufour, T.; Minnebo, J.; Abou Rich, S.; Neyts, E.C.; Bogaerts, A.; Reniers, F. | ||||
Title | Understanding polyethylene surface functionalization by an atmospheric He/O2 plasma through combined experiments and simulations | Type | A1 Journal article | ||
Year | 2014 | Publication | Journal of physics: D: applied physics | Abbreviated Journal | J Phys D Appl Phys |
Volume | 47 | Issue | 22 | Pages | 224007 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | High density polyethylene surfaces were exposed to the atmospheric post-discharge of a radiofrequency plasma torch supplied in helium and oxygen. Dynamic water contact angle measurements were performed to evaluate changes in surface hydrophilicity and angle resolved x-ray photoelectron spectroscopy was carried out to identify the functional groups responsible for wettability changes and to study their subsurface depth profiles, up to 9 nm in depth. The reactions leading to the formation of CO, C = O and OC = O groups were simulated by molecular dynamics. These simulations demonstrate that impinging oxygen atoms do not react immediately upon impact but rather remain at or close to the surface before eventually reacting. The simulations also explain the release of gaseous species in the ambient environment as well as the ejection of low molecular weight oxidized materials from the surface. | ||||
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Publisher | Place of Publication | London | Editor | ||
Language | Wos | 000336207900008 | Publication Date | 2014-05-14 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0022-3727;1361-6463; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.588 | Times cited | 13 | Open Access | |
Notes | Approved | Most recent IF: 2.588; 2014 IF: 2.721 | |||
Call Number | UA @ lucian @ c:irua:116919 | Serial | 3804 | ||
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Author | Gorbanev, Y.; Privat-Maldonado, A.; Bogaerts, A. | ||||
Title | Analysis of Short-Lived Reactive Species in Plasma–Air–Water Systems: The Dos and the Do Nots | Type | A1 Journal Article | ||
Year | 2018 | Publication | Analytical Chemistry | Abbreviated Journal | Anal Chem |
Volume | 90 | Issue | 22 | Pages | 13151-13158 |
Keywords | A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
Abstract | This Feature addresses the analysis of the reactive species generated by nonthermal atmospheric pressure plasmas, which are widely employed in industrial and biomedical research, as well as first clinical applications. We summarize the progress in detection of plasma-generated short-lived reactive oxygen and nitrogen species in aqueous solutions, discuss the potential and limitations of various analytical methods in plasma−liquid systems, and provide an outlook on the possible future research goals in development of short-lived reactive species analysis methods for a general nonspecialist audience. |
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000451246100002 | Publication Date | 2018-11-20 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 0003-2700 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 6.32 | Times cited | 17 | Open Access | Not_Open_Access |
Notes | European Commission, 743151 ; This work was supported by the European Marie Sklodowska- Curie Individual Fellowship within Horizon2020 (“LTPAM”, Grant No. 743151). | Approved | Most recent IF: 6.32 | ||
Call Number | PLASMANT @ plasmant @c:irua:156301 | Serial | 5152 | ||
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Author | Vanraes, P.; Bogaerts, A. | ||||
Title | The essential role of the plasma sheath in plasma–liquid interaction and its applications—A perspective | Type | A1 Journal Article | ||
Year | 2021 | Publication | Journal Of Applied Physics | Abbreviated Journal | J Appl Phys |
Volume | 129 | Issue | 22 | Pages | 220901 |
Keywords | A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
Abstract | Based on the current knowledge, a plasma–liquid interface looks and behaves very differently from its counterpart at a solid surface. Local processes characteristic to most liquids include a stronger evaporation, surface deformations, droplet ejection, possibly distinct mechanisms behind secondary electron emission, the formation of an electric double layer, and an ion drift-mediated liquid resistivity. All of them can strongly influence the interfacial charge distribution. Accordingly, the plasma sheath at a liquid surface is most likely unique in its own way, both with respect to its structure and behavior. However, insights into these properties are still rather scarce or uncertain, and more studies are required to further disclose them. In this Perspective, we argue why more research on the plasma sheath is not only recommended but also crucial to an accurate understanding of the plasma–liquid interaction. First, we analyze how the sheath regulates various elementary processes at the plasma–liquid interface, in terms of the electrical coupling, the bidirectional mass transport, and the chemistry between plasma and liquid phase. Next, these three regulatory functions of the sheath are illustrated for concrete applications. Regarding the electrical coupling, a great deal of attention is paid to the penetration of fields into biological systems due to their relevance for plasma medicine, plasma agriculture, and food processing. Furthermore, we illuminate the role of the sheath in nuclear fusion, nanomaterial synthesis, and chemical applications. As such, we hope to motivate the plasma community for more fundamental research on plasma sheaths at liquid surfaces. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000681700000013 | Publication Date | 2021-06-14 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0021-8979 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.068 | Times cited | Open Access | OpenAccess | |
Notes | P.V. thanks Dr. Angela Privat Maldonado (University of Antwerp) for the fruitful discussions on Sec. III and Professor Mark J. Kushner (University of Michigan) for the interesting discussion on Ref. 198. | Approved | Most recent IF: 2.068 | ||
Call Number | PLASMANT @ plasmant @c:irua:178814 | Serial | 6794 | ||
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Author | Van Turnhout, J.; Aceto, D.; Travert, A.; Bazin, P.; Thibault-Starzyk, F.; Bogaerts, A.; Azzolina-Jury, F. | ||||
Title | Observation of surface species in plasma-catalytic dry reforming of methane in a novel atmospheric pressure dielectric barrier discharge in situ IR cell | Type | A1 Journal article | ||
Year | 2022 | Publication | Catalysis Science & Technology | Abbreviated Journal | Catal Sci Technol |
Volume | 12 | Issue | 22 | Pages | 6676-6686 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | We developed a novel in situ (i.e. inside plasma and during operation) IR dielectric barrier discharge cell allowing investigation of plasma catalysis in transmission mode, atmospheric pressure, flow conditions (WHSV similar to 0-50 000 mL g(-1) h(-1)), at relevant discharge voltages (similar to 0-50 kV) and frequencies (similar to 0-5 kHz). We applied it to study the IR-active surface species formed on a SiO2 support and on a 3 wt% Ru/SiO2 catalyst, which can help to reveal the important surface reaction mechanisms during the plasma-catalytic dry reforming of methane (DRM). Moreover, we present a technique for the challenging task of estimating the temperature of a catalyst sample in a plasma-catalytic system in situ and during plasma operation. We found that during the reaction, water is immediately formed at the SiO2 surface, and physisorbed formic acid is formed with a delay. As Ru/SiO2 is subject to greater plasma-induced heating than SiO2 (with a surface temperature increase in the range of 70-120 degrees C, with peaks up to 150 degrees C), we observe lower amounts of physisorbed water on Ru/SiO2, and less physisorbed formic acid formation. Importantly, the formation of surface species on the catalyst sample in our plasma-catalytic setup, as well as the observed conversions and selectivities in plasma conditions, can not be explained by plasma-induced heating of the catalyst surface, but must be attributed to other plasma effects, such as the adsorption of plasma-generated radicals and molecules, or the occurrence of Eley-Rideal reactions. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000865542600001 | Publication Date | 2022-10-05 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2044-4753; 2044-4761 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 5 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 5 | |||
Call Number | UA @ admin @ c:irua:191389 | Serial | 7185 | ||
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Author | Martens, T.; Mihailova, D.; van Dijk, J.; Bogaerts, A. | ||||
Title | Theoretical characterization of an atmospheric pressure glow discharge used for analytical spectrometry | Type | A1 Journal article | ||
Year | 2009 | Publication | Analytical chemistry | Abbreviated Journal | Anal Chem |
Volume | 81 | Issue | 21 | Pages | 9096-9108 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | We have investigated the plasma processes in an atmospheric pressure glow discharge (APGD) in He used for analytical spectrometry by means of fluid and Monte Carlo (MC) simulations. Typical results include the potential and electric field distributions in the plasma, the density profiles of the various plasma species throughout the discharge, the mean electron energy, as well as the rates of the various collision processes in the plasma, and the relative importance of the different production and loss rates for the various species. The similarities and differences with low-pressure glow discharges are discussed. The main differences are a very small cathode dark space region and a large positive column as well as the dominant role of molecular ions. Some characteristic features of the APGD, such as the occurrence of the different spatial zones in the discharge, are illustrated, with links to experimental observations. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Washington, D.C. | Editor | ||
Language | Wos | 000276191900062 | Publication Date | 2009-10-08 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0003-2700;1520-6882; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 6.32 | Times cited | 15 | Open Access | |
Notes | Approved | Most recent IF: 6.32; 2009 IF: 5.214 | |||
Call Number | UA @ lucian @ c:irua:79554 | Serial | 3604 | ||
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Author | Wang, W.; Butterworth, T.; Bogaerts, A. | ||||
Title | Plasma propagation in a single bead DBD reactor at different dielectric constants : insights from fluid modelling | Type | A1 Journal article | ||
Year | 2021 | Publication | Journal Of Physics D-Applied Physics | Abbreviated Journal | J Phys D Appl Phys |
Volume | 54 | Issue | 21 | Pages | 214004 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Packed bed dielectric barrier discharge (PB-DBD) plasma reactors are very promising for various plasma catalysis applications, but the exact mechanisms of plasma-catalyst interaction are far from understood, because the plasma discharge and catalyst/packing properties are mutually dependent. To better understand the effect of packing dielectric material on the electrical plasma properties, we study here a single bead DBD plasma reactor operating in dry air, with beads of different dielectric constant and for different applied voltages, by means of fluid modelling validated by optical imaging experiments. Our study reveals that the plasma in the single bead DBD reactor can manifest itself in two different modalities, i.e. (a) polar discharges at the bead poles in contact with the electrodes, and (b) a streamer discharge caused by surface ionization waves, which bridges the gas gap. Beads with high dielectric constant result in localised electric field enhancement and hence yield a reduction of the applied voltage required for plasma production. At low applied voltage, the discharge appears as polar discharges between the bead and the electrodes, and upon higher voltage it undergoes a transition into a bridging streamer discharge. The transition voltage to the streamer mode rises for beads with higher dielectric constant. These observations are important for plasma catalysis applications. A higher dielectric constant yields a higher electric field and thus higher average electron energy and density, giving rise to more reactive species, but it also yields a confined discharge near the contact points of packing beads, limiting the interaction area between the catalyst and the active plasma species. In addition, our model reveals that the dielectric bead behaves as a capacitor and traps charges, which can explain the significant occurrence of partial discharging in PB-DBDs and non-parallelogram shaped Lissajous plots. Hence, equivalent circuit modelling of PB-DBDs should take into account the role of packing beads in charge trapping as a capacitor. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000626451000001 | Publication Date | 2021-02-23 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0022-3727 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.588 | Times cited | Open Access | Not_Open_Access | |
Notes | Approved | Most recent IF: 2.588 | |||
Call Number | UA @ admin @ c:irua:177571 | Serial | 6772 | ||
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Author | Cai, Y.; Michiels, R.; De Luca, F.; Neyts, E.; Tu, X.; Bogaerts, A.; Gerrits, N. | ||||
Title | Improving Molecule–Metal Surface Reaction Networks Using the Meta-Generalized Gradient Approximation: CO2Hydrogenation | Type | A1 Journal Article | ||
Year | 2024 | Publication | The Journal of Physical Chemistry C | Abbreviated Journal | J. Phys. Chem. C |
Volume | 128 | Issue | 21 | Pages | 8611-8620 |
Keywords | A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
Abstract | Density functional theory is widely used to gain insights into molecule−metal surface reaction networks, which is important for a better understanding of catalysis. However, it is well-known that generalized gradient approximation (GGA) density functionals (DFs), most often used for the study of reaction networks, struggle to correctly describe both gas-phase molecules and metal surfaces. Also, GGA DFs typically underestimate reaction barriers due to an underestimation of the selfinteraction energy. Screened hybrid GGA DFs have been shown to reduce this problem but are currently intractable for wide usage. In this work, we use a more affordable meta-GGA (mGGA) DF in combination with a nonlocal correlation DF for the first time to study and gain new insights into a catalytically important surface reaction network, namely, CO2 hydrogenation on Cu. We show that the mGGA DF used, namely, rMS-RPBEl-rVV10, outperforms typical GGA DFs by providing similar or better predictions for metals and molecules, as well as molecule−metal surface adsorption and activation energies. Hence, it is a better choice for constructing molecule−metal surface reaction networks. |
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | Publication Date | 2024-05-30 | ||
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1932-7447 | ISBN | Additional Links | ||
Impact Factor | 3.7 | Times cited | Open Access | ||
Notes | H2020 Marie Sklodowska-Curie Actions, 813393 ; Fonds Wetenschappelijk Onderzoek, 1114921N ; H2020 European Research Council, 810182 ; Nederlandse Organisatie voor Wetenschappelijk Onderzoek, 019.202EN.012 ; | Approved | Most recent IF: 3.7; 2024 IF: 4.536 | ||
Call Number | PLASMANT @ plasmant @ | Serial | 9248 | ||
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Author | Shirazi, M.; Neyts, E.C.; Bogaerts, A. | ||||
Title | DFT study of Ni-catalyzed plasma dry reforming of methane | Type | A1 Journal article | ||
Year | 2017 | Publication | Applied catalysis : B : environmental | Abbreviated Journal | Appl Catal B-Environ |
Volume | 205 | Issue | 205 | Pages | 605-614 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | tWe investigated the plasma-assisted catalytic reactions for the production of value-added chemicalsfrom Ni-catalyzed plasma dry reforming of methane by means of density functional theory (DFT). Weinspected many activation barriers, from the early stage of adsorption of the major chemical fragmentsderived fromCH4andCO2molecules up to the formation of value-added chemicals at the surface, focusingon the formation of methanol, as well as the hydrogenation of C1and C2hydrocarbon fragments. Theactivation barrier calculations show that the presence of surface-bound H atoms and in some cases alsoremaining chemical fragments at the surface facilitates the formation of products. This implies that thehydrogenation of a chemical fragment on the hydrogenated crystalline surface is energetically favouredcompared to the simple hydrogenation of the chemical fragment at the bare Ni(111) surface. Indeed, thepresence of hydrogen modifies the electronic structure of the surface and the course of the reactions.We therefore conclude that surface-bound H atoms, and to some extent also the remaining chemicalfragments at the crystalline surface, induce the following effects: they facilitate associative desorption ofmethanol and ethane by increasing the rate of H-transfer to the adsorbed fragments while they impedehydrogenation of ethylene to ethane, thus promoting again the desorption of ethylene. Overall, they thusfacilitate the catalytic conversion of the formed fragments from CH4and CO2, into value-added chemicals.Finally, we believe that the retention of methane fragments, especially CH3, in the presence of surface-boundHatoms (as observed here for Ni) can be regarded as an identifier for the proper choice of a catalystfor the production of value-added chemicals. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000393931000063 | Publication Date | 2017-01-05 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0926-3373 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 9.446 | Times cited | 26 | Open Access | OpenAccess |
Notes | Financial support from the Reactive Atmospheric Plasmaprocessing –eDucation network (RAPID), through the EU 7thFramework Programme (grant agreement no. 606889) is grate-fully acknowledged. The calculations were performed using theTuring HPC infrastructure at the CalcUA core facility of the Univer-siteit Antwerpen, a division of the Flemish Supercomputer CenterVSC, funded by the Hercules Foundation, the Flemish | Approved | Most recent IF: 9.446 | ||
Call Number | PLASMANT @ plasmant @ c:irua:139514 | Serial | 4343 | ||
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Author | Petrović, D.; Martens, T.; van Dijk, J.; Brok, W.J.M.; Bogaerts, A. | ||||
Title | Fluid modelling of an atmospheric pressure dielectric barrier discharge in cylindrical geometry | Type | A1 Journal article | ||
Year | 2009 | Publication | Journal of physics: D: applied physics | Abbreviated Journal | J Phys D Appl Phys |
Volume | 42 | Issue | 20 | Pages | 205206,1-205206,12 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | A numerical parameter study has been performed for a cylindrical atmospheric pressure dielectric barrier discharge (DBD) in helium with nitrogen impurities using a two-dimensional time-dependent fluid model. The calculated electric currents and gap voltages as a function of time for a given applied potential are presented, as well as the number densities of the various plasma species. This study shows that for the geometry under consideration the applied voltage parameters have a large impact on the electric current profiles and that the discharge current is always determined by the electron and ion conduction currents while the displacement current is nearly negligible. A relative broadening of the current profiles (compared with the duration of the half cycle of the applied voltage) with an increase in the applied frequency is obtained. Nearly sinusoidal current wave forms, usually typical for radio frequency DBDs, are observed while still operating at the frequencies of tens of kilohertz. For the setup under investigation, the Townsend mode of the DBD is observed in the entire range of applied voltage amplitudes and frequencies. It is shown that the average power density dissipated in the discharge increases with rising applied voltage and frequency. An increase in applied voltage frequency leads to an increase in the electron density and a decrease in electron energy, while increasing the voltage amplitude has the opposite effect. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | London | Editor | ||
Language | Wos | 000270563200028 | Publication Date | 2009-09-24 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0022-3727;1361-6463; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.588 | Times cited | 29 | Open Access | |
Notes | Approved | Most recent IF: 2.588; 2009 IF: 2.083 | |||
Call Number | UA @ lucian @ c:irua:78202 | Serial | 1228 | ||
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Author | Mao, M.; Bogaerts, A. | ||||
Title | Investigating the plasma chemistry for the synthesis of carbon nanotubes/nanofibres in an inductively coupled plasma enhanced CVD system : the effect of different gas mixtures | Type | A1 Journal article | ||
Year | 2010 | Publication | Journal of physics: D: applied physics | Abbreviated Journal | J Phys D Appl Phys |
Volume | 43 | Issue | 20 | Pages | 205201,1-205201,20 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | A hybrid model, called the hybrid plasma equipment model (HPEM), was used to study an inductively coupled plasma in gas mixtures of H2 or NH3 with CH4 or C2H2 used for the synthesis of carbon nanotubes or carbon nanofibres (CNTs/CNFs). The plasma properties are discussed for different gas mixtures at low and moderate pressures, and the growth precursors for CNTs/CNFs are analysed. It is found that C2H2, C2H4 and C2H6 are the predominant molecules in CH4 containing plasmas besides the feedstock gas, and serve as carbon sources for CNT/CNF formation. On the other hand, long-chain hydrocarbons are observed in C2H2-containing plasmas. Furthermore, the background gases CH4 and C2H2 show a different decomposition rate with H2 or NH3 addition at moderate pressures. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | London | Editor | ||
Language | Wos | 000277373400009 | Publication Date | 2010-05-05 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0022-3727;1361-6463; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.588 | Times cited | 52 | Open Access | |
Notes | Approved | Most recent IF: 2.588; 2010 IF: 2.109 | |||
Call Number | UA @ lucian @ c:irua:82067 | Serial | 1723 | ||
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Author | Zhang, S.; Van Gaens, W.; van Gessel, B.; Hofmann, S.; van Veldhuizen, E.; Bogaerts, A.; Bruggeman, P. | ||||
Title | Spatially resolved ozone densities and gas temperatures in a time modulated RF driven atmospheric pressure plasma jet : an analysis of the production and destruction mechanisms | Type | A1 Journal article | ||
Year | 2013 | Publication | Journal of physics: D: applied physics | Abbreviated Journal | J Phys D Appl Phys |
Volume | 46 | Issue | 20 | Pages | 205202-205212 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | In this work, a time modulated RF driven DBD-like atmospheric pressure plasma jet in Ar + 2%O2, operating at a time averaged power of 6.5 W is investigated. Spatially resolved ozone densities and gas temperatures are obtained by UV absorption and Rayleigh scattering, respectively. Significant gas heating in the core of the plasma up to 700 K is found and at the position of this increased gas temperature a depletion of the ozone density is found. The production and destruction reactions of O3 in the jet effluent as a function of the distance from the nozzle are obtained from a zero-dimensional chemical kinetics model in plug flow mode which considers relevant air chemistry due to air entrainment in the jet fluent. A comparison of the measurements and the models show that the depletion of O3 in the core of the plasma is mainly caused by an enhanced destruction of O3 due to a large atomic oxygen density. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | London | Editor | ||
Language | Wos | 000318546100008 | Publication Date | 2013-05-02 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0022-3727;1361-6463; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.588 | Times cited | 74 | Open Access | |
Notes | Approved | Most recent IF: 2.588; 2013 IF: 2.521 | |||
Call Number | UA @ lucian @ c:irua:107840 | Serial | 3067 | ||
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Author | Engelmann; Bogaerts, A.; Neyts, E.C. | ||||
Title | Thermodynamics at the nanoscale: phase diagrams of nickel-carbon nanoclusters and equilibrium constants for phase transitions | Type | A1 Journal article | ||
Year | 2014 | Publication | Nanoscale | Abbreviated Journal | Nanoscale |
Volume | 6 | Issue | 20 | Pages | 11981-11987 |
Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Using reactive molecular dynamics simulations, the melting behavior of nickel-carbon nanoclusters is examined. The phase diagrams of icosahedral and Wulff polyhedron clusters are determined using both the Lindemann index and the potential energy. Formulae are derived for calculating the equilibrium constants and the solid and liquid fractions during a phase transition, allowing more rational determination of the melting temperature with respect to the arbitrary Lindemann value. These results give more insight into the properties of nickel-carbon nanoclusters in general and can specifically be very useful for a better understanding of the synthesis of carbon nanotubes using the catalytic chemical vapor deposition method. | ||||
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Publisher | Place of Publication | Cambridge | Editor | ||
Language | Wos | 000343000800049 | Publication Date | 2014-07-24 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2040-3364;2040-3372; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 7.367 | Times cited | 20 | Open Access | |
Notes | Approved | Most recent IF: 7.367; 2014 IF: 7.394 | |||
Call Number | UA @ lucian @ c:irua:121106 | Serial | 3637 | ||
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Author | Cleiren, E.; Heijkers, S.; Ramakers, M.; Bogaerts, A. | ||||
Title | Dry Reforming of Methane in a Gliding Arc Plasmatron: Towards a Better Understanding of the Plasma Chemistry | Type | A1 Journal article | ||
Year | 2017 | Publication | Chemsuschem | Abbreviated Journal | Chemsuschem |
Volume | 10 | Issue | 20 | Pages | 4025-4036 |
Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Dry reforming of methane (DRM) in a gliding arc plasmatron is studied for different CH4 fractions in the mixture. The CO2 and CH4 conversions reach their highest values of approximately 18 and 10%, respectively, at 25% CH4 in the gas mixture, corresponding to an overall energy cost of 10 kJ L@1 (or 2.5 eV per molecule) and an energy efficiency of 66%. CO and H2 are the major products, with the formation of smaller fractions of C2Hx (x=2, 4, or 6) compounds and H2O. A chemical kinetics model is used to investigate the underlying chemical processes. The calculated CO2 and CH4 conversion and the energy efficiency are in good agreement with the experimental data. The model calculations reveal that the reaction of CO2 (mainly at vibrationally excited levels) with H radicals is mainly responsible for the CO2 conversion, especially at higher CH4 fractions in the mixture, which explains why the CO2 conversion increases with increasing CH4 fraction. The main process responsible for CH4 conversion is the reaction with OH radicals. The excellent energy efficiency can be explained by the non-equilibrium character of the plasma, in which the electrons mainly activate the gas molecules, and by the important role of the vibrational kinetics of CO2. The results demonstrate that a gliding arc plasmatron is very promising for DRM. |
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000413565100012 | Publication Date | 2017-10-02 | |
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 | 7.226 | Times cited | 23 | Open Access | OpenAccess |
Notes | Fonds Wetenschappelijk Onderzoek, G.0383.16N ; Federaal Wetenschapsbeleid; | Approved | Most recent IF: 7.226 | ||
Call Number | PLASMANT @ plasmant @c:irua:146665 | Serial | 4759 | ||
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Author | Wang, W.; Berthelot, A.; Zhang, Q.; Bogaerts, A. | ||||
Title | Modelling of plasma-based dry reforming: how do uncertainties in the input data affect the calculation results? | Type | A1 Journal article | ||
Year | 2018 | Publication | Journal of physics: D: applied physics | Abbreviated Journal | J Phys D Appl Phys |
Volume | 51 | Issue | 20 | Pages | 204003 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | One of the main issues in plasma chemistry modeling is that the cross sections and rate coefficients are subject to uncertainties, which yields uncertainties in the modeling results and hence hinders the predictive capabilities. In this paper, we reveal the impact of these uncertainties on the model predictions of plasma-based dry reforming in a dielectric barrier discharge. For this purpose, we performed a detailed uncertainty analysis and sensitivity study. 2000 different combinations of rate coefficients, based on the uncertainty from a log-normal distribution, are used to predict the uncertainties in the model output. The uncertainties in the electron density and electron temperature are around 11% and 8% at the maximum of the power deposition for a 70% confidence level. Still, this can have a major effect on the electron impact rates and hence on the calculated conversions of CO2 and CH4, as well as on the selectivities of CO and H2. For the CO2 and CH4 conversion, we obtain uncertainties of 24% and 33%, respectively. For the CO and H2 selectivity, the corresponding uncertainties are 28% and 14%, respectively. We also identify which reactions contribute most to the uncertainty in the model predictions. In order to improve the accuracy and reliability of plasma chemistry models, we recommend using only verified rate coefficients, and we point out the need for dedicated verification experiments. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000430960600003 | Publication Date | 2018-04-25 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0022-3727 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.588 | Times cited | 7 | Open Access | OpenAccess |
Notes | We acknowledge financial support from the Fund for Scientific Research Flanders (FWO) (Grant No. G.0383.16N) and the TOP-BOF project of the University of Antwerp. The calculations were carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Centre VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. | Approved | Most recent IF: 2.588 | ||
Call Number | PLASMANT @ plasmant @c:irua:151292 | Serial | 4958 | ||
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Author | Bruggeman, P.J.; Bogaerts, A.; Pouvesle, J.M.; Robert, E.; Szili, E.J. | ||||
Title | Plasma–liquid interactions | Type | A1 Journal Article | ||
Year | 2021 | Publication | Journal Of Applied Physics | Abbreviated Journal | J Appl Phys |
Volume | 130 | Issue | 20 | Pages | 200401 |
Keywords | A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
Abstract | |||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | Publication Date | 2021-11-28 | ||
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0021-8979 | ISBN | Additional Links | UA library record | |
Impact Factor | 2.068 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 2.068 | |||
Call Number | PLASMANT @ plasmant @c:irua:184245 | Serial | 6830 | ||
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Author | Bings, N.H.; Bogaerts, A.; Broekaert, J.A.C. | ||||
Title | Atomic spectroscopy | Type | A1 Journal article | ||
Year | 2013 | Publication | Analytical chemistry | Abbreviated Journal | Anal Chem |
Volume | 85 | Issue | 2 | Pages | 670-704 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | |||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Washington, D.C. | Editor | ||
Language | Wos | 000313668400013 | Publication Date | 2012-11-07 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0003-2700;1520-6882; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 6.32 | Times cited | 29 | Open Access | |
Notes | Approved | Most recent IF: 6.32; 2013 IF: 5.825 | |||
Call Number | UA @ lucian @ c:irua:104719 | Serial | 190 | ||
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Author | Neyts, E.C.; Bogaerts, A. | ||||
Title | Combining molecular dynamics with Monte Carlo simulations : implementations and applications | Type | A1 Journal article | ||
Year | 2013 | Publication | Theoretical chemistry accounts : theory, computation, and modeling | Abbreviated Journal | Theor Chem Acc |
Volume | 132 | Issue | 2 | Pages | 1320-12 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | In this contribution, we present an overview of the various techniques for combining atomistic molecular dynamics with Monte Carlo simulations, mainly in the context of condensed matter systems, as well as a brief summary of the main accelerated dynamics techniques. Special attention is given to the force bias Monte Carlo technique and its combination with molecular dynamics, in view of promising recent developments, including a definable timescale. Various examples of the application of combined molecular dynamics / Monte Carlo simulations are given, in order to demonstrate the enhanced simulation efficiency with respect to either pure molecular dynamics or Monte Carlo. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000318294700010 | Publication Date | 2012-12-19 | |
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ISSN | 1432-881X;1432-2234; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.89 | Times cited | 27 | Open Access | |
Notes | Approved | Most recent IF: 1.89; 2013 IF: 2.143 | |||
Call Number | UA @ lucian @ c:irua:104725 | Serial | 404 | ||
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