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Author (up) Shaw, P.; Vanraes, P.; Kumar, N.; Bogaerts, A.
Title Possible Synergies of Nanomaterial-Assisted Tissue Regeneration in Plasma Medicine: Mechanisms and Safety Concerns Type A1 Journal article
Year 2022 Publication Nanomaterials Abbreviated Journal Nanomaterials-Basel
Volume 12 Issue 19 Pages 3397
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Cold atmospheric plasma and nanomedicine originally emerged as individual domains, but are increasingly applied in combination with each other. Most research is performed in the context of cancer treatment, with only little focus yet on the possible synergies. Many questions remain on the potential of this promising hybrid technology, particularly regarding regenerative medicine and tissue engineering. In this perspective article, we therefore start from the fundamental mechanisms in the individual technologies, in order to envision possible synergies for wound healing and tissue recovery, as well as research strategies to discover and optimize them. Among these strategies, we demonstrate how cold plasmas and nanomaterials can enhance each other’s strengths and overcome each other’s limitations. The parallels with cancer research, biotechnology and plasma surface modification further serve as inspiration for the envisioned synergies in tissue regeneration. The discovery and optimization of synergies may also be realized based on a profound understanding of the underlying redox- and field-related biological processes. Finally, we emphasize the toxicity concerns in plasma and nanomedicine, which may be partly remediated by their combination, but also partly amplified. A widespread use of standardized protocols and materials is therefore strongly recommended, to ensure both a fast and safe clinical implementation.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000866927800001 Publication Date 2022-09-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2079-4991 ISBN Additional Links UA library record; WoS full record
Impact Factor 5.3 Times cited Open Access OpenAccess
Notes This research was funded by the Methusalem Grant of UAntwerp, and the Department of Biotechnology (DBT) Ramalingaswami Re-entry Fellowship (BT/RLF/Re-entry/27/2019), as well as the Science and Engineering Research Board (SERB), Core Research Grant (CRG/2021/001935), Department of Science and Technology, India. Approved Most recent IF: 5.3
Call Number PLASMANT @ plasmant @c:irua:191493 Serial 7108
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Author (up) Shazali, I.; Van 't dack, L.; Gijbels, R.
Title Determination of precious metals in ores and rocks by thermal neutron activation/\gamma-spectrometry after preconcentration by nickel sulphide fire assay and coprecipitation with tellurium Type A1 Journal article
Year 1987 Publication Analytica chimica acta Abbreviated Journal Anal Chim Acta
Volume 196 Issue Pages 49-58
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The six platinum group elements (Ru, Rh, Pd, Os, Ir and Pt) can be determined in geological samples down to the μg kg−1 level, by using nickel sulphide fire assay and neutron activation of the residue ramaining after dissolution of the nickel sulphide button in concentrated hydrochloric acid. Losses for the platinum group elements during this dissolution step are usually insignificant, except when the elements are present at ultra-trace levels. The can be recovered from the filtrate by coprecipitation with tellerium. The latter approach also permits determination of silver, which is significantly lost in the hydrochloric acid treatment (recovery <98% instead of typically ≈ 10%). The coprecipitation with tellurium considerably improves the results for gold (recovery ≈ 95% instead of typically 75%).
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1987K058900006 Publication Date 2002-07-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-2670; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.513 Times cited 49 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:111403 Serial 670
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Author (up) Shazali, I.; Van 't dack, L.; Gijbels, R.
Title Preconcentration of precious metals by tellurium sulphide fire-assay followed by instrumental neutron activation analysis Type P3 Proceeding
Year 1988 Publication Abbreviated Journal
Volume Issue Pages 29-42
Keywords P3 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Elsevier Place of Publication Barking Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:111513 Serial 2693
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Author (up) Shimizu, K.; Habazaki, H.; Bender, H.; Gijbels, R.
Title The dawn of surface analysis that stands by the side users: ultra-thin film analysis by rf-GDOES Type A3 Journal article
Year 2004 Publication Engineering materials Abbreviated Journal
Volume 52 Issue 9 Pages 97-101
Keywords A3 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:51978 Serial 607
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Author (up) Shirazi, M.; Bogaerts, A.; Neyts, E.C.
Title A DFT study of H-dissolution into the bulk of a crystalline Ni(111) surface: a chemical identifier for the reaction kinetics Type A1 Journal article
Year 2017 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
Volume 19 Issue 19 Pages 19150-19158
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In this study, we investigated the diffusion of H-atoms to the subsurface and their further diffusion into the bulk of a Ni(111) crystal by means of density functional theory calculations in the context of thermal and plasma-assisted catalysis. The H-atoms at the surface can originate from the dissociative adsorption of H2 or CH4 molecules, determining the surface H-coverage. When a threshold H-coverage is passed, corresponding to 1.00 ML for the crystalline Ni(111) surface, the surface-bound H-atoms start to diffuse to the subsurface. A similar threshold coverage is observed for the interstitial H-coverage. Once the interstitial sites are filled up with a coverage above 1.00 ML of H, dissolution of interstitial H-atoms to the layer below the interstitial sites will be initiated. Hence, by applying a high pressure or inducing a reactive plasma and high temperature, increasing the H-flux to the surface, a large amount of hydrogen can diffuse in a crystalline metal like Ni and can be absorbed. The formation of metal hydride may modify the entire reaction kinetics of the system. Equivalently, the H-atoms in the bulk can easily go back to the surface and release a large amount of heat. In a plasma process, H-atoms are formed in the plasma, and therefore the energy barrier for dissociative adsorption is dismissed, thus allowing achievement of the threshold coverage without applying a high pressure as in a thermal process. As a result, depending on the crystal plane and type of metal, a large number of H-atoms can be dissolved (absorbed) in the metal catalyst, explaining the high efficiency of plasma-assisted catalytic reactions. Here, the mechanism of H-dissolution is established as a chemical identifier for the investigation of the reaction kinetics of a chemical process.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000406334300034 Publication Date 2017-06-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1463-9076 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.123 Times cited 10 Open Access OpenAccess
Notes Financial support from the Reactive Atmospheric Plasma processIng – eDucation (RAPID) network, through the EU 7th Framework Programme (grant agreement no. 606889), is gratefully acknowledged. The calculations were performed using the Turing HPC infrastructure at 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: 4.123
Call Number PLASMANT @ plasmant @ c:irua:144794 Serial 4633
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Author (up) 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.
Address
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 (up) Si, X.-J.; Zhao, S.-X.; Xu, X.; Bogaerts, A.; Wang, Y.-N.
Title Fluid simulations of frequency effects on nonlinear harmonics in inductively coupled plasma Type A1 Journal article
Year 2011 Publication Physics of plasmas Abbreviated Journal Phys Plasmas
Volume 18 Issue 3 Pages 033504-033504,9
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract A fluid model is self-consistently established to investigate the harmonic effects in an inductively coupled plasma, where the electromagnetic field is solved by the finite difference time domain technique. The spatiotemporal distribution of harmonic current density, harmonic potential, and other plasma quantities, such as radio frequency power deposition, plasma density, and electron temperature, have been investigated. Distinct differences in current density have been observed when calculated with and without Lorentz force, which indicates that the nonlinear Lorentz force plays an important role in the harmonic effects, especially at low frequencies. Moreover, the even harmonics are larger than the odd harmonics both in the current density and the potential. Finally, the dependence of various plasma quantities with and without the Lorentz force on various driving frequencies is also examined. It is shown that the deposited power density decreases and the depth of penetration increases slightly because of the Lorentz force. The electron density increases distinctly while the electron temperature remains almost the same when the Lorentz force is taken into account.
Address
Corporate Author Thesis
Publisher Place of Publication Woodbury, N.Y. Editor
Language Wos 000289151900073 Publication Date 2011-03-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1070-664X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.115 Times cited 7 Open Access
Notes Approved Most recent IF: 2.115; 2011 IF: 2.147
Call Number UA @ lucian @ c:irua:87876 Serial 1233
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Author (up) Simon, P.; Bogaerts, A.
Title Vibrational level population of nitrogen impurities in low-pressure argon glow discharges Type A1 Journal article
Year 2011 Publication Journal of analytical atomic spectrometry Abbreviated Journal J Anal Atom Spectrom
Volume 26 Issue 4 Pages 804-810
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The vibrational level populations of the electronic ground state of the nitrogen molecule have been calculated for typical glow discharge conditions in argonnitrogen mixtures with nitrogen concentrations between 0.1 and 1%. Stationary solutions of the master equations of the vibrational levels have been obtained using numerical methods. The main mechanisms responsible for the population and depopulation of the vibrational levels, and for the overall shape of the vibrational distribution function are pointed out. It has been found that vibrationvibration collisions play only a minor role and therefore the population of the vibrational levels is basically determined by the electron temperature.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000288703300012 Publication Date 2010-12-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0267-9477;1364-5544; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.379 Times cited 6 Open Access
Notes Approved Most recent IF: 3.379; 2011 IF: 3.220
Call Number UA @ lucian @ c:irua:87530 Serial 3842
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Author (up) Slaets, J.; Aghaei, M.; Ceulemans, S.; Van Alphen, S.; Bogaerts, A.
Title CO2and CH4conversion in “real” gas mixtures in a gliding arc plasmatron: how do N2and O2affect the performance? Type A1 Journal article
Year 2020 Publication Green Chemistry Abbreviated Journal Green Chem
Volume 22 Issue 4 Pages 1366-1377
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In this paper we study dry reforming of methane (DRM) in a gliding arc plasmatron (GAP) in the presence of N<sub>2</sub>and O<sub>2</sub>. N<sub>2</sub>is added to create a stable plasma at equal fractions of CO<sub>2</sub>and CH<sub>4</sub>, and because emissions from industrial plants typically contain N<sub>2</sub>, while O<sub>2</sub>is added to enhance the process. We test different gas mixing ratios to evaluate the conversion and energy cost. We obtain conversions between 31 and 52% for CO<sub>2</sub>and between 55 and 99% for CH<sub>4</sub>, with total energy costs between 3.4 and 5.0 eV per molecule, depending on the gas mixture. This is very competitive when benchmarked with the literature. In addition, we present a chemical kinetics model to obtain deeper insight in the underlying plasma chemistry. This allows determination of the major reaction pathways to convert CO<sub>2</sub>and CH<sub>4</sub>, in the presence of O<sub>2</sub>and N<sub>2</sub>, into CO and H<sub>2</sub>. We show that N<sub>2</sub>assists in the CO<sub>2</sub>conversion, but part of the applied energy is also wasted in N<sub>2</sub>excitation. Adding O<sub>2</sub>enhances the CH<sub>4</sub>conversion, and lowers the energy cost, while the CO<sub>2</sub>conversion remains constant, and only slightly drops at the highest O<sub>2</sub>fractions studied, when CH<sub>4</sub>is fully oxidized into CO<sub>2</sub>.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000518034000032 Publication Date 2020-01-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1463-9262 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.8 Times cited Open Access OpenAccess
Notes H2020 European Research Council, 810182 ; Fonds Wetenschappelijk Onderzoek, GoF9618n 12M7118N ; We acknowledge financial support from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement No 810182 – SCOPE ERC Synergy project), the Excellence of Science FWO-FNRS project (FWO grant ID GoF9618n, EOS ID 30505023), and the FWO postdoctoral fellowship of M. A. (Grant number 12M7118N). This work was carried out in part using the Turing HPC infrastructure at 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 University of Antwerp. Approved Most recent IF: 9.8; 2020 IF: 9.125
Call Number PLASMANT @ plasmant @c:irua:167136 Serial 6339
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Author (up) Slaets, J.; Loenders, B.; Bogaerts, A.
Title Plasma-based dry reforming of CH4: Plasma effects vs. thermal conversion Type A1 Journal article
Year 2024 Publication Fuel Abbreviated Journal Fuel
Volume 360 Issue Pages 130650
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In this work we evaluate the chemical kinetics of dry reforming of methane in warm plasmas (1000–4000 K) using modelling with a newly developed chemistry set, for a broad range of parameters (temperature, power density and CO2/CH4 ratio). We compare the model against thermodynamic equilibrium concentrations, serving as validation of the thermal chemical kinetics. Our model reveals that plasma-specific reactions (i.e., electron impact collisions) accelerate the kinetics compared to thermal conversion, rather than altering the overall kinetics pathways and intermediate products, for gas temperatures below 2000 K. For higher temperatures, the kinetics are dominated by heavy species collisions and are strictly thermal, with negligible influence of the electrons and ions on the overall kinetics. When studying the effects of different gas mixtures on the kinetics, we identify important intermediate species, side reactions and side products. The use of excess CO2 leads to H2O formation, at the expense of H2 formation, and the CO2 conversion itself is limited, only approaching full conversion near 4000 K. In contrast, full conversion of both reactants is only kinetically limited for mixtures with excess CH4, which also gives rise to the formation of C2H2, alongside syngas. Within the given parameter space, our model predicts the 30/70 ratio of CO2/CH4 to be the most optimal for syngas formation with a H2/CO ratio of 2.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001138077700001 Publication Date 2023-12-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0016-2361 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.4 Times cited Open Access Not_Open_Access
Notes This research was supported by the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (Grant Agreement No. 810182 – SCOPE ERC Synergy project), the Catalisti-ICON project BluePlasma (Project No. HBC.2022.0445), the FWO-SBO project PlasMaCatDESIGN (FWO Grant ID S001619N), the Independent Research Fund Denmark (Project No. 0217-00231B) and through long-term structural funding (Methusalem). 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 Research Foundation – Flanders (FWO) and the Flemish Government. We also thank Bart Wanten, Roel Michiels, Pepijn Heirman, Claudia Verheyen, dr. Senne Van Alphen, dr. Elise Vervloessem, dr. Kevin van ’t Veer, dr. Joshua Boothroyd, dr. Omar Biondo and dr. Eduardo Morais for their expertise and feedback regarding the kinetics scheme. Approved Most recent IF: 7.4; 2024 IF: 4.601
Call Number PLASMANT @ plasmant @c:irua:201669 Serial 8973
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Author (up) Slanina, Z.; Martin, J.M.L.; François, J.P.; Gijbels, R.
Title On the quasi-random entropy of linear species Type A1 Journal article
Year 1993 Publication Theochem: applications of theoretical chemistry to organic, inorganic and biological problems Abbreviated Journal
Volume 99 Issue Pages 83-87
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1993KU09200010 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0166-1280 ISBN Additional Links UA library record; WoS full record;
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:6147 Serial 2448
Permanent link to this record
 

 
Author (up) Slanina, Z.; Martin, J.M.L.; François, J.P.; Gijbels, R.
Title On the relative stabilities of the linear and triangular forms of B3N Type A1 Journal article
Year 1993 Publication Chemical physics Abbreviated Journal Chem Phys
Volume 178 Issue Pages 77-82
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1993MP94200006 Publication Date 2002-07-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0301-0104; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.652 Times cited 9 Open Access
Notes Approved CHEMISTRY, MULTIDISCIPLINARY 65/163 Q2 # CRYSTALLOGRAPHY 10/26 Q2 #
Call Number UA @ lucian @ c:irua:6150 Serial 2453
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Author (up) Slanina, Z.; Martin, J.M.L.; François, J.P.; Gijbels, R.
Title The structure, energetics, and harmonic vibrations of B3N Type A1 Journal article
Year 1993 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
Volume 201 Issue Pages 54-58
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1993KF37900010 Publication Date 2002-07-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0009-2614; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.897 Times cited 20 Open Access
Notes Approved PHYSICS, APPLIED 28/145 Q1 #
Call Number UA @ lucian @ c:irua:6145 Serial 3302
Permanent link to this record
 

 
Author (up) Smith, G.J.; Diomede, P.; Gibson, A.R.; Doyle, S.J.; Guerra, V.; Kushner, M.J.; Gans, T.; Dedrick, J.P.
Title Low-pressure inductively coupled plasmas in hydrogen : impact of gas heating on the spatial distribution of atomic hydrogen and vibrationally excited states Type A1 Journal article
Year 2024 Publication Plasma sources science and technology Abbreviated Journal
Volume 33 Issue 2 Pages 025002-25020
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Non-equilibrium inductively coupled plasmas (ICPs) operating in hydrogen are of significant interest for applications including large-area materials processing. Increasing control of spatial gas heating, which drives the formation of neutral species density gradients and the rate of gas-temperature-dependent reactions, is critical. In this study, we use 2D fluid-kinetic simulations with the Hybrid Plasma Equipment Model to investigate the spatially resolved production of atomic hydrogen in a low-pressure planar ICP operating in pure hydrogen (10-20 Pa or 0.075-0.15 Torr, 300 W). The reaction set incorporates self-consistent calculation of the spatially resolved gas temperature and 14 vibrationally excited states. We find that the formation of neutral-gas density gradients, which result from spatially non-uniform electrical power deposition at constant pressure, can drive significant variations in the vibrational distribution function and density of atomic hydrogen when gas heating is spatially resolved. This highlights the significance of spatial gas heating on the production of reactive species in relatively high-power-density plasma processing sources.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001154851700001 Publication Date 2024-01-15
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 Not_Open_Access
Notes Approved Most recent IF: 3.8; 2024 IF: 3.302
Call Number UA @ admin @ c:irua:203866 Serial 9054
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Author (up) Snoeckx, R.
Title Plasma technology : a novel solution for CO2 conversion? Type Doctoral thesis
Year 2017 Publication Abbreviated Journal
Volume Issue Pages
Keywords Doctoral thesis; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Antwerpen Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:143110 Serial 4680
Permanent link to this record
 

 
Author (up) Snoeckx, R.; Aerts, R.; Tu, X.; Bogaerts, A.
Title Plasma-based dry reforming : a computational study ranging from the nanoseconds to seconds time scale Type A1 Journal article
Year 2013 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 117 Issue 10 Pages 4957-4970
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract We present a computational study for the conversion of CH4 and CO2 into value-added chemicals, i.e., the so-called dry reforming of methane, in a dielectric barrier discharge reactor. A zero-dimensional chemical kinetics model is applied to study the plasma chemistry in a 1:1 CH4/CO2 mixture. The calculations are first performed for one microdischarge pulse and its afterglow, to study in detail the chemical pathways of the conversion. Subsequently, long time-scale simulations are carried out, corresponding to real residence times in the plasma, assuming a large number of consecutive microdischarge pulses, to mimic the conditions of the filamentary discharge regime in a dielectric barrier discharge (DBD) reactor. The conversion of CH4 and CO2 as well as the selectivity of the formed products and the energy cost and energy efficiency of the process are calculated and compared to experiments for a range of different powers and gas flows, and reasonable agreement is reached.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000316308400010 Publication Date 2013-02-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited 118 Open Access
Notes Approved Most recent IF: 4.536; 2013 IF: 4.835
Call Number UA @ lucian @ c:irua:106516 Serial 2628
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Author (up) Snoeckx, R.; Bogaerts, A.
Title Plasma technology – a novel solution for CO2conversion? Type A1 Journal article
Year 2017 Publication Chemical Society reviews Abbreviated Journal Chem Soc Rev
Volume 46 Issue 19 Pages 5805-5863
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract CO2 conversion into value-added chemicals and fuels is considered as one of the great challenges of the 21st century. Due to the limitations of the traditional thermal approaches, several novel technologies are being developed. One promising approach in this field, which has received little attention to date, is plasma

technology. Its advantages include mild operating conditions, easy upscaling, and gas activation by energetic electrons instead of heat. This allows thermodynamically difficult reactions, such as CO2 splitting and the dry reformation of methane, to occur with reasonable energy cost. In this review, after exploring the traditional thermal approaches, we have provided a brief overview of the fierce competition between various novel approaches in a quest to find the most effective and efficient CO2 conversion technology. This is needed to critically assess whether plasma technology can be successful in an already crowded arena. The following questions need to be answered in this regard: are there key advantages to using plasma technology over other novel approaches, and if so, what is the flip side to the use of this technology? Can plasma technology be successful on its own, or can synergies be achieved by combining it with other technologies? To answer

these specific questions and to evaluate the potentials and limitations of plasma technology in general, this review presents the current state-of-the-art and a critical assessment of plasma-based CO2 conversion, as well as the future challenges for its practical implementation.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000412141600006 Publication Date 2017-08-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0306-0012 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 38.618 Times cited 168 Open Access OpenAccess
Notes We would like to thank W. Wang (University of Antwerp) for providing the data on the thermal equilibrium conversions. Furthermore, we acknowledge financial support from the IAP/7 (Inter-university Attraction Pole) programme ‘PSI-Physical Chemistry of Plasma-Surface Interactions’ by the Belgian Federal Office for Science Policy (BELSPO), the Methusalem financing of the University of Antwerp, the Fund for Scientific Research Flanders (FWO; Grant no. G.0383.16N, G.0254.14N and G.0217.14N), the TOP research project of the Research Fund of the University of Antwerp (grant ID. 32249). Approved Most recent IF: 38.618
Call Number PLASMANT @ plasmant @c:irua:145921 Serial 4709
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Author (up) Snoeckx, R.; Heijkers, S.; Van Wesenbeeck, K.; Lenaerts, S.; Bogaerts, A.
Title CO2conversion in a dielectric barrier discharge plasma: N2in the mix as a helping hand or problematic impurity? Type A1 Journal article
Year 2016 Publication Energy & environmental science Abbreviated Journal Energ Environ Sci
Volume 9 Issue 9 Pages 999-1011
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Sustainable Energy, Air and Water Technology (DuEL)
Abstract Carbon dioxide conversion and utilization has gained significant interest over the years. A novel gas conversion technique with great potential in this area is plasma technology. A lot of research has already been performed, but mostly on pure gases. In reality, N2 will always be an important impurity in effluent

gases. Therefore, we performed an extensive combined experimental and computational study on the effect of N2 in the range of 1–98% on CO2 splitting in dielectric barrier discharge (DBD) plasma. The presence of up to 50% N2 in the mixture barely influences the effective (or overall) CO2 conversion and energy efficiency, because the N2 metastable molecules enhance the absolute CO2 conversion, and this compensates for the lower CO2 fraction in the mixture. Higher N2 fractions, however, cause a drop in the CO2 conversion and energy efficiency. Moreover, in the entire CO2/N2 mixing ratio, several harmful compounds, i.e., N2O and NOx compounds, are produced in the range of several 100 ppm. The reaction pathways for the formation of these compounds are explained based on a kinetic analysis, which allows proposing solutions on how to prevent the formation of these harmful compounds.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000372243600030 Publication Date 2015-12-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1754-5692 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 29.518 Times cited 68 Open Access
Notes The authors acknowledge financial support from the IAP/7 (Inter-university Attraction Pole) program ‘PSI-Physical Chemistry of Plasma-Surface Interactions’, financially supported by the Belgian Federal Office for Science Policy (BELSPO), as well as the Fund for Scientific Research Flanders (FWO). This work was carried out in part using the Turing HPC infrastructure at 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 University of Antwerp. Approved Most recent IF: 29.518
Call Number c:irua:133169 Serial 4020
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Author (up) Snoeckx, R.; Ozkan, A.; Reniers, F.; Bogaerts, A.
Title The Quest for Value-Added Products from Carbon Dioxide and Water in a Dielectric Barrier Discharge: A Chemical Kinetics Study Type A1 Journal article
Year 2017 Publication Chemsuschem Abbreviated Journal Chemsuschem
Volume 10 Issue 10 Pages 409-424
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Recycling of carbon dioxide by its conversion into value-added products has gained significant interest owing to the role it can play for use in an anthropogenic carbon cycle. The combined conversion with H2O could even mimic the natural photosynthesis process. An interesting gas conversion technique currently being considered in the field of CO2 conversion is plasma technology. To investigate whether it is also promising for this combined conversion, we performed a series of experiments and developed a chemical kinetics plasma chemistry model for a deeper understanding of the process. The main products formed were the syngas components CO and H2, as well as O2 and H2O2, whereas methanol formation was only observed in the parts-per-billion to parts-per-million range. The syngas ratio, on the other hand, could easily be controlled by varying both the water content and/or energy input. On the basis of the model, which was validated with experimental results, a chemical kinetics analysis was performed, which allowed the construction and investigation of the different pathways leading to the observed experimental results and which helped to clarify these results. This approach allowed us to evaluate this technology on the basis of its underlying chemistry and to propose solutions on how to further improve the formation of value-added products by using plasma technology.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000394571900012 Publication Date 2016-11-25
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 25 Open Access OpenAccess
Notes The authors acknowledge financial support from the Inter-university Attraction Pole (IAP; grant number IAP-VII/12, P7/34) program “PSI-Physical Chemistry of Plasma-Surface Interactions”, financially supported by the Belgian Federal Office for Science Policy (BELSPO), as well as the Fund for Scientific Research Flanders (FWO; grant number G.0066.12N). This work was performed in part using the Turing HPC infrastructure at 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 University of Antwerp. We also would like to thank the financial support given by “Fonds David et Alice Van Buuren”. Finally, we are very grateful to M. Kushner for providing the Global kin code, to T. Dufour for his support during the experiments, and to R. Aerts for his support during the model development. Approved Most recent IF: 7.226
Call Number PLASMANT @ plasmant @ c:irua:139880 Serial 4412
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Author (up) Snoeckx, R.; Rabinovich, A.; Dobrynin, D.; Bogaerts, A.; Fridman, A.
Title Plasma-based liquefaction of methane: The road from hydrogen production to direct methane liquefaction Type A1 Journal article
Year 2017 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym
Volume 14 Issue 14 Pages 1600115
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract For the energy industry, a process that is able to transform methane—being the prime component of natural gas—efficiently into a liquid product would be equivalent to a goose with golden eggs. As such it is no surprise that research efforts in this field already date back to the nineteen hundreds. Plasma technology can be considered to be a novel player in this field, but nevertheless one with great potential. Over the past decades this technology has evolved from sole hydrogen production, over indirect methane liquefaction to eventually direct plasma-assisted methane liquefaction processes. An overview of this evolution and these processes is presented, from which it becomes clear that the near future probably lies with the direct two phase plasma-assisted methane liquefaction and the far future with the direct oxidative methane liquefaction.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000403699900008 Publication Date 2016-10-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1612-8850 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.846 Times cited 16 Open Access Not_Open_Access
Notes Advanced Plasma Solutions; Drexel University; Federaal Wetenschapsbeleid; Fonds De La Recherche Scientifique – FNRS, G038316N V403616N ; Approved Most recent IF: 2.846
Call Number PLASMANT @ plasmant @ c:irua:144212 Serial 4622
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Author (up) Snoeckx, R.; Setareh, M.; Aerts, R.; Simon, P.; Maghari, A.; Bogaerts, A.
Title Influence of N2 concentration in a CH4/N2 dielectric barrier discharge used for CH4 conversion into H2 Type A1 Journal article
Year 2013 Publication International journal of hydrogen energy Abbreviated Journal Int J Hydrogen Energ
Volume 38 Issue 36 Pages 16098-16120
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract We present a combined study of experimental and computational work for a dielectric barrier discharge (DBD) used for CH4 conversion into H2. More specifically, we investigated the influence of N2 as an impurity (150,000 ppm) and as additive gas (199%) on the CH4 conversion and H2 yield. For this purpose, a zero-dimensional chemical kinetics model is applied to study the plasma chemistry. The calculated conversions and yields for various gas mixing ratios are compared to the obtained experimental values, and good agreement is achieved. The study reveals the significance of the View the MathML source and View the MathML source metastable states for the CH4 conversion into H2, based on a kinetic analysis of the reaction chemistry.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000327904500027 Publication Date 2013-10-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0360-3199; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.582 Times cited 40 Open Access
Notes Approved Most recent IF: 3.582; 2013 IF: 2.930
Call Number UA @ lucian @ c:irua:111372 Serial 1642
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Author (up) Snoeckx, R.; Van Wesenbeeck, K.; Lenaerts, S.; Cha, M.S.; Bogaerts, A.
Title Suppressing the formation of NOxand N2O in CO2/N2dielectric barrier discharge plasma by adding CH4: scavenger chemistry at work Type A1 Journal article
Year 2019 Publication Sustainable Energy & Fuels Abbreviated Journal Sustainable Energy Fuels
Volume 3 Issue 6 Pages 1388-1395
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Sustainable Energy, Air and Water Technology (DuEL)
Abstract The need for carbon negative technologies led to the development of a wide array of novel CO<sub>2</sub>conversion techniques. Most of them either rely on high temperatures or generate highly reactive O species, which can lead to the undesirable formation of NO<sub>x</sub>and N<sub>2</sub>O when the CO<sub>2</sub>feeds contain N<sub>2</sub>. Here, we show that, for plasma-based CO<sub>2</sub>conversion, adding a hydrogen source, as a chemical oxygen scavenger, can suppress their formation,<italic>in situ</italic>. This allows the use of low-cost N<sub>2</sub>containing (industrial and direct air capture) feeds, rather than expensive purified CO<sub>2</sub>. To demonstrate this, we add CH<sub>4</sub>to a dielectric barrier discharge plasma used for converting impure CO<sub>2</sub>. We find that when adding a stoichiometric amount of CH<sub>4</sub>, 82% less NO<sub>2</sub>and 51% less NO are formed. An even higher reduction (96 and 63%) can be obtained when doubling this amount. However, in that case the excess radicals promote the formation of by-products, such as HCN, NH<sub>3</sub>and CH<sub>3</sub>OH. Thus, we believe that by using an appropriate amount of chemical scavengers, we can use impure CO<sub>2</sub>feeds, which would bring us closer to ‘real world’ conditions and implementation.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000469258600021 Publication Date 2019-02-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2398-4902 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access OpenAccess
Notes Fonds Wetenschappelijk Onderzoek, G0F9618N ; Universiteit Antwerpen; King Abdullah University of Science and Technology, BAS/1/1384-01-01 ;The research reported in this publication was supported by funding from the “Excellence of Science Program” (Fund for Scientic Research Flanders (FWO): grant no. G0F9618N; EOS ID: 30505023). The authors R. S. and M. S. C. acknowledge nancial support from King Abdullah University of Science and Technology (KAUST), under award number BAS/1/1384-01-01. Approved Most recent IF: NA
Call Number PLASMANT @ plasmant @UA @ admin @ c:irua:160268 Serial 5188
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Author (up) Snoeckx, R.; Wang, W.; Zhang, X.; Cha, M.S.; Bogaerts, A.
Title Plasma-based multi-reforming for Gas-To-Liquid: tuning the plasma chemistry towards methanol Type A1 Journal article
Year 2018 Publication Scientific reports Abbreviated Journal Sci Rep-Uk
Volume 8 Issue 1 Pages 15929
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Because of its unique properties, plasma technology has gained much prominence in the

microelectronics industry. Recently, environmental and energy applications of plasmas have gained a lot of attention. In this area, the focus is on converting CO 2 and reforming hydrocarbons, with the goal of developing an efficient single-step ‘gas-to-liquid’ (GTL) process. Here we show that applying tri-reforming principles to plasma—further called ‘plasma-based multi-reforming’—allows us to better control the plasma chemistry and thus the formed products. To demonstrate this, we used chemical kinetics calculations supported by experiments and reveal that better control of the plasma chemistry can be achieved by adding O 2 or H 2 O to a mixture containing CH 4 and CO 2 (diluted in N 2 ). Moreover, by adding O 2 and H 2 O simultaneously, we can tune the plasma chemistry even further, improving the conversions, thermal efficiency and methanol yield. Unlike thermocatalytic reforming, plasma-based reforming is capable of producing methanol in a single step; and compared with traditional plasma-based dry reforming, plasma-based multi-reforming increases the methanol yield by more than seven times and the thermal efficiency by 49%, as revealed by our model calculations. Thus, we believe that by using plasma-based multi-reforming, ‘gas-to-liquid’ conversion may be made efficient and scalable.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000448589200005 Publication Date 2018-10-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2045-2322 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.259 Times cited Open Access OpenAccess
Notes The authors acknowledge financial support from the Competitive Research Funding from King Abdullah University of Science and Technology (KAUST), the European Marie Skłodowska-Curie Individual Fellowship “GlidArc” within Horizon2020 (Grant No. 657304), the Fund for Scientific Research Flanders (FWO) (grant nos G.0217.14 N, G.0254.14 N and G.0383.16 N) and the IAP/7 (Inter-university Attraction Pole) program ‘PSI-Physical Chemistry of Plasma-Surface Interactions’, financially supported by the Belgian Federal Office for Science Policy (BELSPO). This work was carried out, in part, using the Turing HPC infrastructure at 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 University of Antwerp. Approved Most recent IF: 4.259
Call Number PLASMANT @ plasmant @c:irua:154868 Serial 5066
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Author (up) Snoeckx, R.; Zeng, Y.X.; Tu, X.; Bogaerts, A.
Title Plasma-based dry reforming : improving the conversion and energy efficiency in a dielectric barrier discharge Type A1 Journal article
Year 2015 Publication RSC advances Abbreviated Journal Rsc Adv
Volume 5 Issue 5 Pages 29799-29808
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Dry reforming of methane has gained significant interest over the years. A novel reforming technique with great potential is plasma technology. One of its drawbacks, however, is energy consumption. Therefore, we performed an extensive computational study, supported by experiments, aiming to identify the influence of the operating parameters (gas mixture, power, residence time and frequency) of a dielectric barrier discharge plasma on the conversion and energy efficiency, and to investigate which of these parameters lead to the most promising results and whether these are eventually sufficient for industrial implementation. The best results, in terms of both energy efficiency and conversion, are obtained at a specific energy input (SEI) of 100 J cm−3, a 1090 CH4CO2 ratio, 10 Hz, a residence time of 1 ms, resulting in a total conversion of 84% and an energy efficiency of 8.5%. In general, increasing the CO2 content in the gas mixture leads to a higher conversion and energy efficiency. The SEI couples the effect of the power and residence time, and increasing the SEI always results in a higher conversion, but somewhat lower energy efficiencies. The effect of the frequency is more complicated: we observed that the product of frequency (f) and residence time (τ), being a measure for the total number of micro-discharge filaments which the gas molecules experience when passing through the reactor, was critical. For most cases, a higher number of filaments yields higher values for conversion and energy efficiency. To benchmark our model predictions, we also give an overview of measured conversions and energy efficiencies reported in the literature, to indicate the potential for improvement compared to the state-of-the art. Finally, we identify the limitations as well as the benefits and future possibilities of plasma technology.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000352789500026 Publication Date 2015-03-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2046-2069; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.108 Times cited 67 Open Access
Notes Approved Most recent IF: 3.108; 2015 IF: 3.840
Call Number c:irua:132577 Serial 2629
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Author (up) Somers, W.
Title Atomic scale simulations of the interactions of plasma species on nickel catalyst surfaces Type Doctoral thesis
Year 2015 Publication Abbreviated Journal
Volume Issue Pages
Keywords Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Antwerpen Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:127915 Serial 4142
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Author (up) Somers, W.; Bogaerts, A.; van Duin, A.C.T.; Huygh, S.; Bal, K.M.; Neyts, E.C.
Title Temperature influence on the reactivity of plasma species on a nickel catalyst surface : an atomic scale study Type A1 Journal article
Year 2013 Publication Catalysis today Abbreviated Journal Catal Today
Volume 211 Issue Pages 131-136
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In recent years, the potential use of hydrogen as a clean energy source has gained considerable attention. Especially H2 formation by Ni-catalyzed reforming of methane at elevated temperatures is an attractive process. However, a more fundamental knowledge at the atomic level is needed for a full comprehension of the reactions at the catalyst surface. In this contribution, we therefore investigate the H2 formation after CHx impacts on a Ni(1 1 1) surface in the temperature range 4001600 K, by means of reactive molecular dynamics (MD) simulations using the ReaxFF potential. While some H2 formation is already observed at the lower temperatures, substantial H2 formation is only obtained at elevated temperatures of 1400 K and above. At 1600 K, the H2 molecules are even the most frequently formed species. In direct correlation with the increasing dehydrogenation at elevated temperatures, an increased surface-to-subsurface C-diffusivity is observed as well. This study highlights the major importance of the temperature on the H2 formation.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000320697800020 Publication Date 2013-03-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0920-5861; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.636 Times cited 27 Open Access
Notes Approved Most recent IF: 4.636; 2013 IF: 3.309
Call Number UA @ lucian @ c:irua:108675 Serial 3500
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Author (up) Somers, W.; Bogaerts, A.; van Duin, A.C.T.; Neyts, E.C.
Title Interactions of plasma species on nickel catalysts : a reactive molecular dynamics study on the influence of temperature and surface structure Type A1 Journal article
Year 2014 Publication Applied catalysis : B : environmental Abbreviated Journal Appl Catal B-Environ
Volume 154 Issue Pages 1-8
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Methane reforming by plasma catalysis is a complex process that is far from understood. It requires a multidisciplinary approach which ideally takes into account all effects from the plasma on the catalyst, and vice versa. In this contribution, we focus on the interactions of CHx (x = {1,2,3}) radicals that are created in the plasma with several nickel catalyst surfaces. To this end, we perform reactive molecular dynamics simulations, based on the ReaxFF potential, in a wide temperature range of 4001600 K. First, we focus on the H2 formation as a function of temperature and surface structure. We observe that substantial H2 formation is obtained at 1400 K and above, while the role of the surface structure seems limited. Indeed, in the initial stage, the type of nickel surface influences the CH bond breaking efficiency of adsorbed radicals; however, the continuous carbon diffusion into the surface gradually diminishes the surface crystallinity and therefore reduces the effect of surface structure on the H2 formation probability. Furthermore, we have also investigated to what extent the species adsorbed on the catalyst surface can participate in surface reactions more in general, for the various surface structures and as a function of temperature. These results are part of the ongoing research on the methane reforming by plasma catalysis, a highly interesting yet complex alternative to conventional reforming processes.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000335098800001 Publication Date 2014-02-06
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 23 Open Access
Notes Approved Most recent IF: 9.446; 2014 IF: 7.435
Call Number UA @ lucian @ c:irua:114607 Serial 1686
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Author (up) Somers, W.; Bogaerts, A.; van Duin, A.C.T.; Neyts, E.C.
Title Plasma species interacting with nickel surfaces : toward an atomic scale understanding of plasma-catalysis Type A1 Journal article
Year 2012 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 116 Issue 39 Pages 20958-20965
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The adsorption probability and reaction behavior of CHx plasma species on various nickel catalyst surfaces is investigated by means of reactive molecular dynamics (MD) simulations using the ReaxFF potential. Such catalysts are used in the reforming of hydrocarbons and in the growth of carbon nanotubes, and further insight in the underlying mechanisms of these processes is needed to increase their applicability. Single and consecutive impacts of CHx radicals (x={1,2,3}) were performed on four different Ni surfaces, at a temperature of 400 K. The adsorption probability is shown to be related to the number of free electrons, i.e. a higher number leads to more adsorptions, and the steric hindrance caused by the hydrogen atoms bonded to the impacting CHx species. Furthermore, some of the CH bonds break after adsorption, which generally leads to diffusion of the hydrogen atom over the surface. Additionally, these adsorbed H-atoms can be used in reactions to form new molecules, such as CH4 and C2Hx, although this is dependent on the precise morphology of the surface. New molecules are also formed by subtraction of H-atoms from adsorbed radicals, leading to occasional formation of H2 and C2Hx molecules.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000309375700040 Publication Date 2012-09-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited 37 Open Access
Notes Approved Most recent IF: 4.536; 2012 IF: 4.814
Call Number UA @ lucian @ c:irua:101522 Serial 2640
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Author (up) Somers, W.; Dubreuil, M.F.; Neyts, E.C.; Vangeneugden, D.; Bogaerts, A.
Title Incorporation of fluorescent dyes in atmospheric pressure plasma coatings for in-line monitoring of coating homogeneity Type A1 Journal article
Year 2014 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym
Volume 11 Issue 7 Pages 678-684
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract This paper reports on the incorporation of three commercial fluorescent dyes, i.e., rhodamine 6G, fluorescein, and fluorescent brightener 184, in plasma coatings, by utilizing a dielectric barrier discharge (DBD) reactor, and the subsequent monitoring of the coatings homogeneity based on the emitted fluorescent light. The plasma coatings are qualitatively characterized with fluorescence microscopy, UVvis spectroscopy and profilometry for the determination of the coating thickness. The emitted fluorescent light of the coating correlates to the amount of dye per area, and deviations of these factors can hence be observed by monitoring the intensity of this light. This allows monitoring the homogeneity of the plasma coatings in a fast and simple way, without making major adjustments to the process.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000340416300007 Publication Date 2014-05-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1612-8850; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.846 Times cited 3 Open Access
Notes Approved Most recent IF: 2.846; 2014 IF: 2.453
Call Number UA @ lucian @ c:irua:118063 Serial 1598
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Author (up) Song, C.-H.; Attri, P.; Ku, S.-K.; Han, I.; Bogaerts, A.; Choi, E.H.
Title Cocktail of reactive species generated by cold atmospheric plasma: oral administration induces non-small cell lung cancer cell death Type A1 Journal article
Year 2021 Publication Journal Of Physics D-Applied Physics Abbreviated Journal J Phys D Appl Phys
Volume 54 Issue 18 Pages 185202
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Non-small cell lung cancer (NSCLC) is the most common type of lung cancer, with 85% of all lung cancer reported as NSCLC. Moreover, there are no effective treatments in advanced NSCLC. This study shows for the first time that oral administration of plasma-treated water (PTW) can cure advanced NSCLC. The cold plasma in water generates a cocktail of reactive species, and oral administration of this cocktail to mice showed no toxicities even at the highest dose of PTW, after a single dose and repeated doses for 28 d in mice. In vivo studies reveal that PTW showed favorable anticancer effects on chemo-resistant lung cancer, similarly to gefitinib treatment as a reference drug in a chemo-resistant NSCLC model. The anticancer activities of PTW seem to be involved in inhibiting proliferation and angiogenesis and enhancing apoptosis in the cancer cells. Interestingly, the PTW contributes to enhanced immune response and improved cachexia in the model.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000621503200001 Publication Date 2021-05-06
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 OpenAccess
Notes National Research Foundation (NRF) of Korea, NRF-2016K1A4A3914113 ; We gratefully acknowledge financial support from the Leading Foreign Research Institute Recruitment program (Grant # NRF-2016K1A4A3914113) through the Basic Science Research Program of the National Research Foundation (NRF) of Korea and in part by Kwangwoon University. Approved Most recent IF: 2.588
Call Number PLASMANT @ plasmant @c:irua:176649 Serial 6747
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