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“Hybrid Monte Carlo: fluid model for studying the effects of nitrogen addition to argon glow discharges”. Bogaerts A, Spectrochimica acta: part B : atomic spectroscopy 64, 126 (2009). http://doi.org/10.1016/j.sab.2008.11.004
Abstract: A computer model is developed for describing argon/nitrogen glow discharges. The species taken into account in the model include electrons, Ar atoms in the ground state and in the 4s metastable levels, N2 molecules in the ground state and in six different electronically excited levels, N atoms, Ar+ ions, N+, N2+, N3+ and N4+ ions. The fast electrons are simulated with a Monte Carlo model, whereas all other species are treated in a fluid model. 74 different chemical reactions are considered in the model. The calculation results include the densities of all the different plasma species, as well as information on their production and loss processes. The effect of different N2 additions, in the range between 0.1 and 10%, is investigated.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.241
Times cited: 49
DOI: 10.1016/j.sab.2008.11.004
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“Hydrogen addition to an argon glow discharge: a numerical simulation”. Bogaerts A, Journal of analytical atomic spectrometry 17, 768 (2002). http://doi.org/10.1039/b200025c
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.379
Times cited: 48
DOI: 10.1039/b200025c
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Bogaerts A (1996) Mathematical modeling of a direct current glow discharge in argon. Universitaire Instelling Antwerpen, Antwerpen
Keywords: Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“Plasma diagnostics and numerical simulations: insight into the heart of analytical glow discharges”. Bogaerts A, Journal of analytical atomic spectrometry 22, 13 (2007). http://doi.org/10.1039/b611436a
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.379
Times cited: 23
DOI: 10.1039/b611436a
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“Glow discharge optical spectroscopy and mass spectrometry”. Bogaerts A John Wiley & Sons, Chichester, page 1 (2016).
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.
Keywords: H1 Book chapter; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“Glow discharge optical spectroscopy and mass spectrometry”. Bogaerts A, (2016). http://doi.org/10.1002/9780470027318.a5107
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.
Keywords: A1 Journal article; PLASMANT
DOI: 10.1002/9780470027318.a5107
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“Editorial Catalysts: Special Issue on Plasma Catalysis”. Bogaerts A, Catalysts 9, 196 (2019). http://doi.org/10.3390/catal9020196
Abstract: Plasma catalysis is gaining increasing interest for various gas conversion applications, such as CO2 conversion into value-added chemicals and fuels, N2 fixation for the synthesis of NH3 or NOx, and CH4 conversion into higher hydrocarbons or oxygenates [...]
Keywords: Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.082
Times cited: 1
DOI: 10.3390/catal9020196
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“Modeling plasmas in analytical chemistry—an example of cross-fertilization”. Bogaerts A, Analytical And Bioanalytical Chemistry 412, 6059 (2020). http://doi.org/10.1007/s00216-020-02587-8
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.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 4.3
DOI: 10.1007/s00216-020-02587-8
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“Special Issue on “Dielectric Barrier Discharges and their Applications&rdquo, in Commemoration of the 20th Anniversary of Dr. Ulrich Kogelschatz’s Work”. Bogaerts A, Plasma Chemistry and Plasma Processing 43, 1281 (2023). http://doi.org/10.1007/s11090-023-10431-x
Abstract: n/a
Keywords: A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Impact Factor: 3.6
DOI: 10.1007/s11090-023-10431-x
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“Role of laser-induced melting and vaporization of metals during ICP-MS and LIBS analysis, investigated with computer simulations and experiments”. Bleiner D, Chen Z, Autrique D, Bogaerts A, Journal of analytical atomic spectrometry 21, 910 (2006). http://doi.org/10.1039/b602800d
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.379
Times cited: 42
DOI: 10.1039/b602800d
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“Laser-induced plasmas from the ablation of metallic targets: the problem of the onset temperature, and insights on the expansion dynamics”. Bleiner D, Bogaerts A, Belloni F, Nassisi V, Journal of applied physics 101, 083301 (2007). http://doi.org/10.1063/1.2721410
Abstract: Laser-induced plasmas are transient systems rapidly aging in few nanoseconds of evolution. Time-of-flight spectrometry allowed studying initial plasma characteristics based on frozen translational degrees of freedom, hence overcoming intrinsic limitations of optical spectroscopy. Experimental ion velocity distributions were reconstructed as developed during the longitudinal plasma expansion. The obtained onset plasma temperatures are in the range of similar to 18-45 eV depending on the ablated metals. Also the ion angular spreads were found to be a function of ablated metal, e.g., the narrowest for Fe, the broadest for Al, due to different collisional coupling in the plasma population. (c) 2007 American Institute of Physics.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.068
Times cited: 31
DOI: 10.1063/1.2721410
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“Computer simulations of laser ablation sample introduction for plasma-source elemental microanalysis”. Bleiner D, Bogaerts A, Journal of analytical atomic spectrometry 21, 1161 (2006). http://doi.org/10.1039/b607627k
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.379
Times cited: 22
DOI: 10.1039/b607627k
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“Computer simulations of sample chambers for laser ablation-inductively coupled plasma spectrometry”. Bleiner D, Bogaerts A, Spectrochimica acta: part B : atomic spectroscopy 62, 155 (2007). http://doi.org/10.1016/j.sab.2007.02.010
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.241
DOI: 10.1016/j.sab.2007.02.010
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“Multiplicity and contiguity of ablation mechanisms in laser-assisted analytical micro-sampling”. Bleiner D, Bogaerts A, Spectrochimica acta: part B : atomic spectroscopy 61, 421 (2006). http://doi.org/10.1016/j.sab.2006.02.007
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.241
Times cited: 48
DOI: 10.1016/j.sab.2006.02.007
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“Oxygenate Production from Plasma-Activated Reaction of CO2and Ethane”. Biswas AN, Winter LR, Loenders B, Xie Z, Bogaerts A, Chen JG, Acs Energy Letters , 236 (2021). http://doi.org/10.1021/acsenergylett.1c02355
Abstract: Upgrading ethane with CO2 as a soft oxidant represents a desirable means of obtaining oxygenated hydrocarbons. This reaction is not thermodynamically feasible under mild conditions and has not been previously achieved as a one-step process. Nonthermal plasma was implemented as an alternative means of supplying energy to overcome activation barriers, leading to the production of alcohols, aldehydes, and acids as well as C1−C5+ hydrocarbons under ambient pressure, with a maximum total oxygenate selectivity of 12%. A plasma chemical kinetic computational model was developed and found to be in good agreement with the experimental trends. Results from this study illustrate the potential to use plasma for the direct synthesis of value-added alcohols, acids, and aldehydes from ethane and CO2 under mild conditions.
Keywords: A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
DOI: 10.1021/acsenergylett.1c02355
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“Coupling the COST reference plasma jet to a microfluidic device: a computational study”. Bissonnette-Dulude J, Heirman P, Coulombe S, Bogaerts A, Gervais T, Reuter S, Plasma sources science and technology 33, 015001 (2024). http://doi.org/10.1088/1361-6595/ad1421
Abstract: The use of microfluidic devices in the field of plasma-liquid interaction can unlock unique possibilities to investigate the effects of plasma-generated reactive species for environmental and biomedical applications. So far, very little simulation work has been performed on microfluidic devices in contact with a plasma source. We report on the modelling and computational simulation of physical and chemical processes taking place in a novel plasma-microfluidic platform. The main production and transport pathways of reactive species both in plasma and liquid are modelled by a novel modelling approach that combines 0D chemical kinetics and 2D transport mechanisms. This combined approach, applicable to systems where the transport of chemical species occurs in unidirectional flows at high Péclet numbers, decreases calculation times considerably compared to regular 2D simulations. It takes advantage of the low computational time of the 0D reaction models while providing spatial information through multiple plug-flow simulations to yield a quasi-2D model. The gas and liquid flow profiles are simulated entirely in 2D, together with the chemical reactions and transport of key chemical species. The model correctly predicts increased transport of hydrogen peroxide into the liquid when the microfluidic opening is placed inside the plasma effluent region, as opposed to inside the plasma region itself. Furthermore, the modelled hydrogen peroxide production and transport in the microfluidic liquid differs by less than 50% compared with experimental results. To explain this discrepancy, the limits of the 0D–2D combined approach are discussed.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.8
DOI: 10.1088/1361-6595/ad1421
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“Influence of Cell Type and Culture Medium on Determining Cancer Selectivity of Cold Atmospheric Plasma Treatment”. Biscop, Lin, Boxem, Loenhout, Backer, Deben, Dewilde, Smits, Bogaerts, Cancers 11, 1287 (2019). http://doi.org/10.3390/cancers11091287
Abstract: Increasing the selectivity of cancer treatments is attractive, as it has the potential to reduce side-effects of therapy. Cold atmospheric plasma (CAP) is a novel cancer treatment that disrupts the intracellular oxidative balance. Several reports claim CAP treatment to be selective, but retrospective analysis of these studies revealed discrepancies in several biological factors and culturing methods. Before CAP can be conclusively stated as a selective cancer treatment, the importance of these factors must be investigated. In this study, we evaluated the influence of the cell type, cancer type, and cell culture medium on direct and indirect CAP treatment. Comparison of cancerous cells with their non-cancerous counterparts was performed under standardized conditions to determine selectivity of treatment. Analysis of seven human cell lines (cancerous: A549, U87, A375, and Malme-3M; non-cancerous: BEAS-2B, HA, and HEMa) and five different cell culture media (DMEM, RPMI1640, AM, BEGM, and DCBM) revealed that the tested parameters strongly influence indirect CAP treatment, while direct treatment was less affected. Taken together, the results of our study demonstrate that cell type, cancer type, and culturing medium must be taken into account before selectivity of CAP treatment can be claimed and overlooking these parameters can easily result in inaccurate conclusions of selectivity.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Center for Oncological Research (CORE)
Times cited: 9
DOI: 10.3390/cancers11091287
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“Avoiding solid carbon deposition in plasma-based dry reforming of methane”. Biondo O, van Deursen CFAM, Hughes A, van de Steeg A, Bongers W, van de Sanden MCM, van Rooij G, Bogaerts A, Green Chemistry 25, 10485 (2023). http://doi.org/10.1039/D3GC03595F
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.
Keywords: A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Impact Factor: 9.8
DOI: 10.1039/D3GC03595F
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“Power concentration determined by thermodynamic properties in complex gas mixtures : the case of plasma-based dry reforming of methane”. Biondo O, Hughes A, van der Steeg A, Maerivoet S, Loenders B, van Rooij G, Bogaerts A, Plasma sources science and technology 32, 045001 (2023). http://doi.org/10.1088/1361-6595/ACC6EC
Abstract: We investigate discharge contraction in a microwave plasma at sub-atmospheric pressure, operating in CO2 and CO2/CH4 mixtures. The rise of the electron number density with plasma contraction intensifies the gas heating in the core of the plasma. This, in turn, initiates fast core-periphery transport and defines the rate of thermal chemistry over plasma chemistry. In this context, power concentration describes the overall mechanism including plasma contraction and chemical kinetics. In a complex chemistry such as dry reforming of methane, transport of reactive species is essential to define the performance of the reactor and achieve the desired outputs. Thus, we couple experimental observations and thermodynamic calculations for model validation and understanding of reactor performance. Adding CH4 alters the thermodynamic properties of the mixture, especially the reactive component of the heat conductivity. The increase in reactive heat conductivity increases the pressure at which plasma contraction occurs, because higher rates of gas heating are required to reach the same temperature. In addition, we suggest that the predominance of heat conduction over convection is a key condition to observe the effect of heat conductivity on gas temperature.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.8
DOI: 10.1088/1361-6595/ACC6EC
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“Insights into the limitations to vibrational excitation of CO2: validation of a kinetic model with pulsed glow discharge experiments”. Biondo O, Fromentin C, Silva T, Guerra V, van Rooij G, Bogaerts A, Plasma Sources Science &, Technology 31, 074003 (2022). http://doi.org/10.1088/1361-6595/ac8019
Abstract: Vibrational excitation represents an efficient channel to drive the dissociation of CO<sub>2</sub>in a non-thermal plasma. Its viability is investigated in low-pressure pulsed discharges, with the intention of selectively exciting the asymmetric stretching mode, leading to stepwise excitation up to the dissociation limit of the molecule. Gas heating is crucial for the attainability of this process, since the efficiency of vibration–translation (V–T) relaxation strongly depends on temperature, creating a feedback mechanism that can ultimately thermalize the discharge. Indeed, recent experiments demonstrated that the timeframe of V–T non-equilibrium is limited to a few milliseconds at ca. 6 mbar, and shrinks to the<italic>μ</italic>s-scale at 100 mbar. With the aim of backtracking the origin of gas heating in pure CO<sub>2</sub>plasma, we perform a kinetic study to describe the energy transfers under typical non-thermal plasma conditions. The validation of our kinetic scheme with pulsed glow discharge experiments enables to depict the gas heating dynamics. In particular, we pinpoint the role of vibration–vibration–translation relaxation in redistributing the energy from asymmetric to symmetric levels of CO<sub>2</sub>, and the importance of collisional quenching of CO<sub>2</sub>electronic states in triggering the heating feedback mechanism in the sub-millisecond scale. This latter finding represents a novelty for the modelling of low-pressure pulsed discharges and we suggest that more attention should be paid to it in future studies. Additionally, O atoms convert vibrational energy into heat, speeding up the feedback loop. The efficiency of these heating pathways, even at relatively low gas temperature and pressure, underpins the lifetime of V–T non-equilibrium and suggests a redefinition of the optimal conditions to exploit the ‘ladder-climbing’ mechanism in CO<sub>2</sub>discharges.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.8
DOI: 10.1088/1361-6595/ac8019
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“Atomic spectroscopy”. Bings NH, Bogaerts A, Broekaert JAC, Analytical chemistry 85, 670 (2013). http://doi.org/10.1021/ac3031459
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 6.32
Times cited: 29
DOI: 10.1021/ac3031459
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“Atomic spectroscopy”. Bings NH, Bogaerts A, Broekaert JAC, Analytical chemistry 80, 4317 (2008). http://doi.org/10.1021/ac8006297
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 6.32
Times cited: 53
DOI: 10.1021/ac8006297
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“Atomic spectroscopy”. Bings NH, Bogaerts A, Broekaert JAC, Analytical chemistry 78, 3917 (2006). http://doi.org/10.1021/ac060597m
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 6.32
Times cited: 112
DOI: 10.1021/ac060597m
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“Atomic spectroscopy”. Bings NH, Bogaerts A, Broekaert JAC, Analytical chemistry 76, 3313 (2004). http://doi.org/10.1021/ac040052x
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 6.32
Times cited: 32
DOI: 10.1021/ac040052x
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“Atomic spectroscopy”. Bings NH, Bogaerts A, Broekaert JAC, Analytical chemistry 74, 2691 (2002). http://doi.org/10.1021/ac020190r
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 6.32
Times cited: 18
DOI: 10.1021/ac020190r
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“Atomic spectroscopy: a review”. Bings NH, Bogaerts A, Broekaert JAC, Analytical chemistry 82, 4653 (2010). http://doi.org/10.1021/ac1010469
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 6.32
Times cited: 65
DOI: 10.1021/ac1010469
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Berthelot A, Kolev S, Bogaerts A (2015) Different pressure regimes of a surface-wave discharge in argon : a modelling investigation. UCO Press, Cordoba, 57–62
Keywords: P2 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“Modeling of plasma-based CO2conversion: lumping of the vibrational levels”. Berthelot A, Bogaerts A, Plasma sources science and technology 25, 045022 (2016). http://doi.org/10.1088/0963-0252/25/4/045022
Abstract: Although CO2 conversion by plasma technology is gaining increasing interest, the
underlying mechanisms for an energy-efficient process are still far from understood. In this work, a reduced non-equilibrium CO2 plasma chemistry set, based on level lumping of the vibrational levels, is proposed and the reliability of this level-lumping method is tested by a self-consistent zero-dimensional code. A severe reduction of the number of equations to be solved is achieved, which is crucial to be able to model non-equilibrium CO2 plasmas by 2-dimensional models. Typical conditions of pressure and power used in a microwave plasma for CO2 conversion are investigated. Several different sets, using different numbers of lumped groups, are considered. The lumped models with 1, 2 or 3 groups are able to reproduce the gas temperature, electron density and electron temperature profiles, as calculated by the full model treating all individual excited levels, in the entire pressure range investigated. Furthermore, a 3-groups model is also able to reproduce the shape of the vibrational distribution function (VDF) and gives the most reliable prediction of the CO2 conversion. A strong influence of the vibrational excitation on the plasma characteristics is observed. Finally, the limitations of the lumped-levels method are discussed.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.302
Times cited: 33
DOI: 10.1088/0963-0252/25/4/045022
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“Modeling of CO2Splitting in a Microwave Plasma: How to Improve the Conversion and Energy Efficiency”. Berthelot A, Bogaerts A, The journal of physical chemistry: C : nanomaterials and interfaces 121, 8236 (2017). http://doi.org/10.1021/acs.jpcc.6b12840
Abstract: Microwave plasmas are one of the most promising techniques for CO2 conversion into value-added chemicals and fuels since they are very energy efficient. Nevertheless, experiments show that this high energy efficiency is only reached at low pressures and significantly drops toward atmospheric pressure, which is a clear limitation for industrial applications. In this paper, we use a zerodimensional reaction kinetics model to simulate a CO2 microwave plasma in a pressure range from 50 mbar to 1 bar, in order to evaluate the reasons for this decrease in energy efficiency at atmospheric pressure. The code includes a detailed description of the vibrational kinetics of CO2, CO, and O2 as well as the energy exchanges between them because the vibrational kinetics is known to be crucial for energy efficient CO2 splitting. First, we use a self-consistent gas temperature calculation in order to assess the key performance indicators for CO2 splitting, i.e., the CO2 conversion and corresponding energy efficiency. Our results indicate that lower pressures and higher power densities lead to more vibrational excitation, which is beneficial for the conversion. We also demonstrate the key role of the gas temperature. The model predicts the highest conversion and energy efficiencies at pressures around 300 mbar, which is in agreement with experiments from the literature. We also show the beneficial aspect of fast gas cooling in the afterglow at high pressure. In a second step, we study in more detail the effects of pressure, gas temperature, and power density on the vibrational distribution function and on the dissociation and recombination mechanisms of CO2, which define the CO2 splitting efficiency. This study allows us to identify the limiting factors of CO2 conversion and to propose potential solutions to improve the process.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 4.536
Times cited: 47
DOI: 10.1021/acs.jpcc.6b12840
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“Modeling of CO2plasma: effect of uncertainties in the plasma chemistry”. Berthelot A, Bogaerts A, Plasma sources science and technology 26, 115002 (2017). http://doi.org/10.1088/1361-6595/aa8ffb
Abstract: Low-temperature plasma chemical kinetic models are particularly important to the plasma community. These models typically require dozens of inputs, especially rate coefficients. The latter are not always precisely known and it is not surprising that the error on the rate coefficient data can propagate to the model output. In this paper, we present a model that uses N = 400 different combinations of rate coefficients based on the uncertainty attributed to each rate coefficient, giving a good estimation of the uncertainty on the model output due to the rate coefficients. We demonstrate that the uncertainty varies a lot with the conditions and the type of output. Relatively low uncertainties (about 15%) are found for electron density and temperature, while the uncertainty can reach more than an order of magnitude for the population of the vibrational levels in some cases and it can rise up to 100% for the CO2 conversion. The reactions that are mostly responsible for the largest uncertainties are identified. We show that the conditions of pressure, gas temperature and power density have a great effect on the uncertainty and on which reactions lead to this uncertainty. In all the cases tested here, while the absolute values may suffer from large uncertainties, the trends observed in previous modeling work are still valid. Finally, in accordance with the work of Turner, a number of ‘good practices’ is recommended.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.302
Times cited: 16
DOI: 10.1088/1361-6595/aa8ffb
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