NANOlab Center of Excellence literature database -- Query Results

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Author	Albrechts, M.; Tsonev, I.; Bogaerts, A.
Title	Investigation of O atom kinetics in O₂plasma and its afterglow			Type	A1 Journal Article
Year	2024	Publication	Plasma Sources Science and Technology	Abbreviated Journal	Plasma Sources Sci. Technol.
Volume	33	Issue	4	Pages	045017
Keywords	A1 Journal Article; oxygen plasma, pseudo-1D plug-flow kinetic model, O atoms, low-pressure validation, atmospheric pressure microwave torch; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Abstract	We have developed a comprehensive kinetic model to study the O atom kinetics in an O<sub>2</sub>plasma and its afterglow. By adopting a pseudo-1D plug-flow formalism within the kinetic model, our aim is to assess how far the O atoms travel in the plasma afterglow, evaluating its potential as a source of O atoms for post-plasma gas conversion applications. Since we could not find experimental data for pure O<sub>2</sub>plasma at atmospheric pressure, we first validated our model at low pressure (1–10 Torr) where very good experimental data are available. Good agreement between our model and experiments was achieved for the reduced electric field, gas temperature and the densities of the dominant neutral species, i.e. O<sub>2</sub>(a), O<sub>2</sub>(b) and O. Subsequently, we confirmed that the chemistry set is consistent with thermodynamic equilibrium calculations at atmospheric pressure. Finally, we investigated the O atom densities in the O<sub>2</sub>plasma and its afterglow, for which we considered a microwave O<sub>2</sub>plasma torch, operating at a pressure between 0.1 and 1 atm, for a flow rate of 20 slm and an specific energy input of 1656 kJ mol<sup>−1</sup>. Our results show that for both pressure conditions, a high dissociation degree of ca. 92% is reached within the discharge. However, the O atoms travel much further in the plasma afterglow for<italic>p</italic>= 0.1 atm (9.7 cm) than for<italic>p</italic>= 1 atm (1.4 cm), attributed to the longer lifetime (3.8 ms at 0.1 atm vs 1.8 ms at 1 atm) resulting from slower three-body recombination kinetics, as well as a higher volumetric flow rate.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	001209453500001	Publication Date	2024-04-01
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0963-0252	ISBN		Additional Links	UA library record; WoS full record
Impact Factor	3.8	Times cited		Open Access
Notes	This research was supported by the Horizon Europe Framework Program ‘Research and Innovation Actions’ (RIA), Project CANMILK (Grant No. 101069491).			Approved	Most recent IF: 3.8; 2024 IF: 3.302
Call Number	PLASMANT @ plasmant @c:irua:205920			Serial	9125
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Author	Xu, W.; Van Alphen, S.; Galvita, V.V.; Meynen, V.; Bogaerts, A.
Title	Effect of Gas Composition on Temperature and CO₂Conversion in a Gliding Arc Plasmatron reactor: Insights for Post‐Plasma Catalysis from Experiments and Computation			Type	A1 Journal Article
Year	2024	Publication	ChemSusChem	Abbreviated Journal	ChemSusChem
Volume		Issue		Pages
Keywords	A1 Journal Article; CO2 conversion · Plasma · Gliding arc plasmatron · Temperature profiles · Computational modelling; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Abstract	Plasma‐based CO<sub>2</sub>conversion has attracted increasing interest. However, to understand the impact of plasma operation on post‐plasma processes, we studied the effect of adding N<sub>2</sub>, N<sub>2</sub>/CH<sub>4</sub>and N<sub>2</sub>/CH<sub>4</sub>/H<sub>2</sub>O to a CO<sub>2</sub>gliding arc plasmatron (GAP) to obtain valuable insights into their impact on exhaust stream composition and temperature, which will serve as feed gas and heat for post‐plasma catalysis (PPC). Adding N<sub>2</sub>improves the CO<sub>2</sub>conversion from 4 % to 13 %, and CH<sub>4</sub>addition further promotes it to 44 %, and even to 61 % at lower gas flow rate (6 L/min), allowing a higher yield of CO and hydrogen for PPC. The addition of H<sub>2</sub>O, however, reduces the CO<sub>2</sub>conversion from 55 % to 22 %, but it also lowers the energy cost, from 5.8 to 3 kJ/L. Regarding the temperature at 4.9 cm post‐plasma, N<sub>2</sub>addition increases the temperature, while the CO<sub>2</sub>/CH<sub>4</sub>ratio has no significant effect on temperature. We also calculated the temperature distribution with computational fluid dynamics simulations. The obtained temperature profiles (both experimental and calculated) show a decreasing trend with distance to the exhaust and provide insights in where to position a PPC bed.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	001200297300001	Publication Date	2024-04-11
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1864-5631	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	8.4	Times cited		Open Access
Notes	We acknowledge the VLAIO Catalisti Moonshot project D2M and the VLAIO Catalisti transition project CO2PERATE (HBC.2017.0692) for financial support. We acknowledge Gilles Van Loon for his help to make the quartz and steel devices for the reactor. Vladimir V. Galvita also acknowledges a personal grant from the Research Fund of Ghent University (BOF; 01N16319).			Approved	Most recent IF: 8.4; 2024 IF: 7.226
Call Number	PLASMANT @ plasmant @c:irua:205101			Serial	9128
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Author	Xu, W.; Buelens, L.C.; Galvita, V.V.; Bogaerts, A.; Meynen, V.
Title	Improving the performance of gliding arc plasma-catalytic dry reforming via a new post-plasma tubular catalyst bed			Type	A1 Journal Article
Year	2024	Publication	Journal of CO2 Utilization	Abbreviated Journal	Journal of CO2 Utilization
Volume	83	Issue		Pages	102820
Keywords	A1 Journal Article; Dry reforming Gliding arc plasma Plasma catalytic DRM Ni-based mixed oxide Post-plasma catalysis; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Abstract	A combination of a gliding arc plasmatron (GAP) reactor and a newly designed tubular catalyst bed (N-bed) was applied to investigate the post-plasma catalytic (PPC) effect for dry reforming of methane (DRM). As comparison, a traditional plasma catalyst bed (T-bed) was also utilized. The post-plasma catalytic effect of a Ni-based mixed oxide (Ni/MO) catalyst with a thermal catalytic performance of 77% CO2 and 86% CH4 conversion at 700 ℃ was studied. Although applying the T-bed had little effect on plasma based CO2 and CH4 conversion, an increase in selectivity to H2 was obtained with a maximum value of 89% at a distance of 2 cm. However, even when only α-Al2O3 packing material was used in the N-bed configuration, compared to the plasma alone and the T-bed, an increase of the CO2 and CH4 conversion from 53% and 53% to 69% and 69% to 83% was achieved. Addition of the Ni/MO catalyst further enhanced the DRM reaction, resulting in conversions of 79% for CO2 and 91% for CH4. Hence, although no insulation nor external heating was applied to the N-bed post plasma, it provides a slightly better conversion than the thermal catalytic performance with the same catalyst, while being fully electrically driven. In addition, an enhanced CO selectivity to 96% was obtained and the energy cost was reduced from ~ 6 kJ/L (plasma alone) to 4.3 kJ/L. To our knowledge, it is the first time that a post-plasma catalytic system achieves this excellent catalytic performance for DRM without extra external heating or insulation.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos		Publication Date	2024-05-25
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	2212-9820	ISBN		Additional Links
Impact Factor	7.7	Times cited		Open Access
Notes	Wencong Xu, Vladimir V. Galvita, Annemie Bogaerts, and Vera Meynen would like to acknowledge the VLAIO Catalisti Moonshot project D2M and the VLAIO Catalisti transition project CO2PERATE (HBC.2017.0692). Lukas C. Buelens acknowledges financial support from the Fund for Scientific Research Flanders (FWO Flanders) through a postdoctoral fellowship grant 12E5623N. Vladimir V. Galvita also acknowledges a personal grant from the Research Fund of Ghent University (BOF; 01N16319).			Approved	Most recent IF: 7.7; 2024 IF: 4.292
Call Number	PLASMANT @ plasmant @			Serial	9131
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Author	Maerivoet, S.; Tsonev, I.; Slaets, J.; Reniers, F.; Bogaerts, A.
Title	Coupled multi-dimensional modelling of warm plasmas: Application and validation for an atmospheric pressure glow discharge in CO2/CH4/O2			Type	A1 Journal Article
Year	2024	Publication	Chemical Engineering Journal	Abbreviated Journal	Chemical Engineering Journal
Volume	492	Issue		Pages	152006
Keywords	A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Abstract	To support experimental research into gas conversion by warm plasmas, models should be developed to explain the experimental observations. These models need to describe all physical and chemical plasma properties in a coupled way. In this paper, we present a modelling approach to solve the complete set of assumed relevant equations, including gas flow, heat balance and species transport, coupled with a rather extensive chemistry set, consisting of 21 species, obtained by reduction of a more detailed chemistry set, consisting of 41 species. We apply this model to study the combined CO2 and CH4 conversion in the presence of O2, in a direct current atmospheric pressure glow discharge. Our model can predict the experimental trends, and can explain why higher O2 fractions result in higher CH4 conversion, namely due to the higher gas temperature, rather than just by additional chemical reactions. Indeed, our model predicts that when more O2 is added, the energy required to reach any set temperature (i.e., the enthalpy) drops, allowing the system to reach higher temperatures with similar amounts of energy. This is in turn related to the higher H2O fraction and lower H2 fraction formed in the plasma, as demonstrated by our model. Altogether, our new self-consistent model can capture the main physics and chemistry occurring in this warm plasma, which is an important step towards predictive modelling for plasma-based gas conversion.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos		Publication Date	2024-05-09
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1385-8947	ISBN		Additional Links
Impact Factor	15.1	Times cited		Open Access
Notes	This research was supported by the Excellence of Science FWO-FNRS project (FWO grant ID G0I1822N; EOS ID 40007511) and the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement No. 810182–SCOPE ERC Synergy project, and grant agreement No. 101081162–PREPARE ERC Proof of Concept project). 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 Research Foundation – Flanders (FWO) and the Flemish Government.			Approved	Most recent IF: 15.1; 2024 IF: 6.216
Call Number	PLASMANT @ plasmant @			Serial	9132
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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.
Address
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	Steiner, R.E.; Barshick, C.M.; Bogaerts, A.
Title	Glow discharge optical spectroscopy and mass spectrometry			Type	H1 Book chapter
Year	2009	Publication		Abbreviated Journal
Volume		Issue		Pages	1-28
Keywords	H1 Book chapter; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract	Optical (atomic absorption spectroscopy, AAS; atomic emission spectroscopy, AES; atomic fluorescence spectroscopy, AFS; and optogalvanic spectroscopy) and mass spectrometric (magnetic sector, quadrupolemass analyzer, QMA; quadrupole ion trap, QIT; Fourier transform ion cyclotron resonance, FTICR; and time-of-flight, TOF) instrumentation are well suited for coupling to the glow discharge (GD). The GD is a relatively simple device. A potential gradient (5001500 V) is applied between an anode and a cathode. In most cases, the sample is also the cathode. A noble gas (e.g. Ar, Ne, and Xe) is introduced into the discharge region before power initiation. When a potential is applied, electrons are accelerated toward the anode. As these electrons accelerate, they collide with gas atoms. A fraction of these collisions are of sufficient energy to remove an electron from a support gas atom, forming an ion. These ions are, in turn, accelerated toward the cathode. These ions impinge on the surface of the cathode, sputtering sample atoms from the surface. Sputtered atoms that do not redeposit on the surface diffuse into the excitation/ionization regions of the plasma where they can undergo excitation and/or ionization via a number of collisional processes. GD sources offer a number of distinct advantages that make them well suited for specific types of analyses. These sources afford direct analysis of solid samples, thus minimizing the sample preparation required for analysis. The nature of the plasma also provides mutually exclusive atomization and excitation processes that help to minimize the matrix effects that plague so many other elemental techniques. Unfortunately, the GD source functions optimally in a dry environment, making analysis of solutions more difficult. These sources also suffer from difficulties associated with analyzing nonconductingsamples. In this article, first, the principles of operation of the GD plasma are reviewed, with an emphasis on how those principles relate to optical spectroscopy and mass spectrometry. Basic applications of the GD techniques are considered next. These include bulk analysis, surface analysis, and the analysis of solution samples. The requirements necessary to obtain optical information are addressed following the analytical applications. This section focuses on the instrumentation needed to make optical measurements using the GD as an atomization/excitation source. Finally, mass spectrometric instrumentation and interfaces are addressed as they pertain to the use of a GD plasma as an ion source. GDsources provide analytically useful gas-phase species from solid samples. These sources can be interfaced with avariety of spectroscopic and spectrometric instruments for both quantitative and qualitative analysis.
Address
Corporate Author				Thesis
Publisher	Wiley	Place of Publication	Chichester	Editor
Language		Wos		Publication Date	0000-00-00
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN		ISBN	0471976709	Additional Links	UA library record
Impact Factor		Times cited		Open Access
Notes				Approved	Most recent IF: NA
Call Number	UA @ lucian @ c:irua:78169			Serial	1352
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Author	Bogaerts, A.
Title	Glow discharge optical spectroscopy and mass spectrometry			Type	H1 Book chapter
Year	2016	Publication		Abbreviated Journal
Volume		Issue		Pages	1-31
Keywords	H1 Book chapter; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract	Atomic Spectroscopy Optical (atomic absorption spectroscopy, AAS; atomic emission spectroscopy, AES; atomic fluorescence spectroscopy, AFS; and optogalvanic spectroscopy) and mass spectrometric (magnetic sector, quadrupole mass analyzer, QMA; quadrupole ion trap, QIT; Fourier transform ion cyclotron resonance, FTICR; and time-of-flight, TOF) instrumentation are well suited for coupling to the glow discharge (GD). The GD is a relatively simple device. A potential gradient (500–1500 V) is applied between an anode and a cathode. In most cases, the sample is also the cathode. A noble gas (mostly Ar) is introduced into the discharge region before power initiation. When a potential is applied, electrons are accelerated toward the anode. As these electrons accelerate, they collide with gas atoms. A fraction of these collisions are of sufficient energy to remove an electron from a support gas atom, forming an ion. These ions are, in turn, accelerated toward the cathode. These ions impinge on the surface of the cathode, sputtering sample atoms from the surface. Sputtered atoms that do not redeposit on the surface diffuse into the excitation/ionization regions of the plasma where they can undergo excitation and/or ionization via a number of collisional processes, and the photons or ions created in this way can be detected with optical emission spectroscopy or mass spectrometry. GD sources offer a number of distinct advantages that make them well suited for specific types of analyses. These sources afford direct analysis of solid samples, thus minimizing the sample preparation required for analysis. The nature of the plasma also provides mutually exclusive atomization and excitation processes that help to minimize the matrix effects that plague so many other elemental techniques. In recent years, there is also increasing interest for using GD sources for liquid and gas analyses. In this article, first, the principles of operation of the GD plasma are reviewed, with an emphasis on how those principles relate to optical spectroscopy and mass spectrometry. Basic applications of the GD techniques are considered next. These include bulk analysis, surface analysis, and the analysis of solution and gaseous samples. The requirements necessary to obtain optical information are addressed following the analytical applications. This article focuses on the instrumentation needed to make optical measurements using the GD as an atomization/excitation source. Finally, mass spectrometric instrumentation and interfaces are addressed as they pertain to the use of a GD plasma as an ion source. GD sources provide analytically useful gas-phase species from solid samples. These sources can be interfaced with a variety of spectroscopic and spectrometric instruments for both quantitative and qualitative analyses.
Address
Corporate Author				Thesis
Publisher	John Wiley & Sons	Place of Publication	Chichester	Editor
Language		Wos		Publication Date	0000-00-00
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN		ISBN	978-0-470-02731-8	Additional Links	UA library record
Impact Factor		Times cited		Open Access
Notes				Approved	Most recent IF: NA
Call Number	UA @ lucian @ c:irua:132064			Serial	4187
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Author	Neyts, E.; Mao, M.; Eckert, M.; Bogaerts, A.
Title	Modeling aspects of plasma-enhanced chemical vapor deposition of carbon-based materials			Type	H1 Book chapter
Year	2012	Publication		Abbreviated Journal
Volume		Issue		Pages	245-290
Keywords	H1 Book chapter; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author				Thesis
Publisher	CRC Press	Place of Publication	Boca Raton, Fla	Editor
Language		Wos		Publication Date	0000-00-00
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN		ISBN	978-1-4398-6676-4	Additional Links	UA library record
Impact Factor		Times cited		Open Access
Notes				Approved	Most recent IF: NA
Call Number	UA @ lucian @ c:irua:107843			Serial	2109
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Author	Bogaerts, A.; Aghaei, M.; Autrique, D.; Lindner, H.; Chen, Z.; Wendelen, W.
Title	Computer simulations of laser ablation, plume expansion and plasma formation			Type	H1 Book chapter
Year	2011	Publication		Abbreviated Journal
Volume		Issue		Pages	1-10
Keywords	H1 Book chapter; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author				Thesis
Publisher	Trans Tech	Place of Publication	Aedermannsdorf	Editor
Language		Wos	000292658900001	Publication Date	2011-04-20
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1662-8985;	ISBN	978-3-03785-081-7	Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor		Times cited	8	Open Access
Notes				Approved	Most recent IF: NA
Call Number	UA @ lucian @ c:irua:88340			Serial	470
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Author	Bogaerts, A.; Kolev, I.; Buyle, G.
Title	Modeling of the magnetron discharge			Type	H1 Book chapter
Year	2008	Publication		Abbreviated Journal
Volume		Issue		Pages	61-130
Keywords	H1 Book chapter; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author				Thesis
Publisher	Springer	Place of Publication	Berlin	Editor
Language		Wos		Publication Date	0000-00-00
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN		ISBN	978-3-540-76664-3	Additional Links	UA library record
Impact Factor		Times cited		Open Access
Notes				Approved	Most recent IF: NA
Call Number	UA @ lucian @ c:irua:82176			Serial	2133
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Author	Bogaerts, A.; Berthelot, A.; Heijkers, S.; Kozák, T.
Title	Computer modeling of a microwave discharge used for CO₂ splitting			Type	P2 Proceeding
Year	2015	Publication		Abbreviated Journal
Volume		Issue		Pages	41-50
Keywords	P2 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author				Thesis
Publisher	UCO Press	Place of Publication	Cordoba	Editor
Language		Wos		Publication Date
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN		ISBN	978-84-9927-187-3	Additional Links	UA library record
Impact Factor		Times cited		Open Access
Notes				Approved	Most recent IF: NA
Call Number	UA @ lucian @ c:irua:135096			Serial	4154
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Author	Berthelot, A.; Kolev, S.; Bogaerts, A.
Title	Different pressure regimes of a surface-wave discharge in argon : a modelling investigation			Type	P2 Proceeding
Year	2015	Publication		Abbreviated Journal
Volume		Issue		Pages	57-62
Keywords	P2 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author				Thesis
Publisher	UCO Press	Place of Publication	Cordoba	Editor
Language		Wos		Publication Date
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN		ISBN	978-84-9927-187-3	Additional Links	UA library record
Impact Factor		Times cited		Open Access
Notes				Approved	Most recent IF: NA
Call Number	UA @ lucian @ c:irua:135094			Serial	4160
Permanent link to this record