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Author | Kelly, S.; van de Steeg, A.; Hughes, A.; van Rooij, G.; Bogaerts, A. | ||||
Title | Thermal instability and volume contraction in a pulsed microwave N2plasma at sub-atmospheric pressure | Type | A1 Journal article | ||
Year | 2021 | Publication | Plasma Sources Science & Technology | Abbreviated Journal | Plasma Sources Sci T |
Volume | 30 | Issue | 5 | Pages | 055005 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | We studied the evolution of an isolated pulsed plasma in a vortex flow stabilised microwave (MW) discharge in N2 at 25 mbar via the combination of 0D kinetics modelling, iCCD imaging and laser scattering diagnostics. Quenching of electronically excited N2 results in fast gas heating and the onset of a thermal-ionisation instability, contracting the discharge volume. The onset of a thermal-ionisation instability driven by vibrational excitation pathways is found to facilitate significantly higher N2 conversion (i.e. dissociation to atomic N2 ) compared to pre-instability conditions, emphasizing the potential utility of this dynamic in future fixation applications. The instability onset is found to be instigated by super-elastic heating of the electron energy distribution tail via vibrationally excited N2 . Radial contraction of the discharge to the skin depth is found to occur post instability, while the axial elongation is found to be temporarily contracted during the thermal instability onset. An increase in power reflection during the thermal instability onset eventually limits the destabilising effects of exothermic electronically excited N2 quenching. Translational and vibrational temperature reach a quasi-non-equilibrium after the discharge contraction, with translational temperatures reaching ∼1200 K at the pulse end, while vibrational temperatures are found in near equilibrium with the electron energy (1 eV, or ∼11 600 K). This first description of the importance of electronically excited N2 quenching in thermal instabilities gives an additional fundamental understanding of N2 plasma behaviour in pulsed MW context, and thereby brings the eventual implementation of this novel N2 fixation method one step closer. | ||||
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Language | Wos | 000648710900001 | Publication Date | 2021-05-01 | |
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0963-0252 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.302 | Times cited | Open Access | OpenAccess | |
Notes | Stichting voor de Technische Wetenschappen, 733.000.002 ; Fonds Wetenschappelijk Onderzoek, 30505023 GoF9618n ; H2020 European Research Council, 810182 ; H2020 Marie Skłodowska-Curie Actions, 813393 838181 ; SK & AB acknowledge financial support by the European Marie Skłodowska-Curie Individual Fellowship ‘PENFIX’ within Horizon 2020 (Grant No. 838181), the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (Grant Agreement No. 810182—SCOPE ERC Synergy project), and the Excellence of Science FWO-FNRS project (FWO Grant ID GoF9618n, EOS ID 30505023). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Centre VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. SK and AB would like to thank Mr Luc van ’t dack, Dr Karen Leyssens and Ing. Karel Venken for their technical assistance. AvdS, AH and GvR are grateful to Ampleon for the use of their solid-state microwave amplifier units and acknowledge financial support from the Netherlands Organisation for Scientific Research (NWO Grant No. 733.000.002) in the framework of the CO2 -to-products programme with kind support from Shell, and the ENW PPP Fund for the top sectors. This project has been partially funded by the European Union’s Horizon 2020 research and innovation programme ‘Pioneer’ under the Marie Skłodowska-Curie Grant Agreement No. 813393. | Approved | Most recent IF: 3.302 | ||
Call Number | PLASMANT @ plasmant @c:irua:178122 | Serial | 6759 | ||
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Author | Bahnamiri, O.S.; Verheyen, C.; Snyders, R.; Bogaerts, A.; Britun, N. | ||||
Title | Nitrogen fixation in pulsed microwave discharge studied by infrared absorption combined with modelling | Type | A1 Journal Article;nitrogen fixation | ||
Year | 2021 | Publication | Plasma Sources Science & Technology | Abbreviated Journal | Plasma Sources Sci T |
Volume | 30 | Issue | 6 | Pages | 065007 |
Keywords | A1 Journal Article;nitrogen fixation; pulsed microwave discharge; FTIR spectroscopy; discharge modelling; vibrational excitation; NO yield; energy cost; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
Abstract | A pulsed microwave surfaguide discharge operating at 2.45 GHz was used for the conversion of molecular nitrogen into valuable compounds in several gas mixtures: N2 :O2 , N2 :O2 :CO2 and N2 :CO2 . The ro-vibrational absorption bands of the molecular species were monitored by a Fourier transform infrared apparatus in the post-discharge region in order to evaluate the relative number density of species, specifically NO production. The effects of specific energy input, pulse frequency, gas flow fraction, gas admixture and gas flow rate were studied for better understanding and optimization of the NO production yield and the corresponding energy cost (EC). By both the experiment and modelling, a highest NO yield is obtained at N2 :O2 (1:1) gas ratio in N2 :O2 mixture. The NO yield reveals a small growth followed by saturation when pulse repetition frequency increases. The energy efficiency start decreasing after the energy input reaches about 5 eV/molec, whereas the NO yield rises steadily at the same time. The lowest EC of about 8 MJ mol−1 corresponding to the yield and the energy efficiency of about 7% and 1% are found, respectively, in an optimum discharge condition in our case. | ||||
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Language | Wos | 000659671000001 | Publication Date | 2021-06-01 | |
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0963-0252 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.302 | Times cited | Open Access | OpenAccess | |
Notes | Fonds De La Recherche Scientifique—FNRS, EOS O005118F ; The research is supported by the FNRS-FWO project ‘NITROPLASM’, EOS O005118F. O Samadi also acknowledges PhD student F Manaigo for cooperation in doing the additional measurements. | Approved | Most recent IF: 3.302 | ||
Call Number | PLASMANT @ plasmant @c:irua:179170 | Serial | 6798 | ||
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Author | Zhang, L.; Heijkers, S.; Wang, W.; Martini, L.M.; Tosi, P.; Yang, D.; Fang, Z.; Bogaerts, A. | ||||
Title | Dry reforming of methane in a nanosecond repetitively pulsed discharge: chemical kinetics modeling | Type | A1 Journal article | ||
Year | 2022 | Publication | Plasma Sources Science & Technology | Abbreviated Journal | Plasma Sources Sci T |
Volume | 31 | Issue | 5 | Pages | 055014 |
Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Nanosecond pulsed discharge plasma shows a high degree of non-equilibrium, and exhibits relatively high conversions in the dry reforming of methane. To further improve the application, a good insight of the underlying mechanisms is desired. We developed a chemical kinetics model to explore the underlying plasma chemistry in nanosecond pulsed discharge. We compared the calculated conversions and product selectivities with experimental results, and found reasonable agreement in a wide range of specific energy input. Hence, the chemical kinetics model is able to provide insight in the underlying plasma chemistry. The modeling results predict that the most important dissociation reaction of CO<sub>2</sub>and CH<sub>4</sub>is electron impact dissociation. C<sub>2</sub>H<sub>2</sub>is the most abundant hydrocarbon product, and it is mainly formed upon reaction of two CH<sub>2</sub>radicals. Furthermore, the vibrational excitation levels of CO<sub>2</sub>contribute for 85% to the total dissociation of CO<sub>2</sub>. | ||||
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Language | Wos | 000797660000001 | Publication Date | 2022-05-01 | |
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0963-0252 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 3.8 | Times cited | Open Access | OpenAccess | |
Notes | China Scholarship Council; National Natural Science Foundation of China, 11965018 ; This work is supported by the National Natural Science Foundation of China (Grant Nos. 52077026, 11965018), L Zhang was also supported by the China Scholarship Council (CSC). Data availability statement The data that support the findings of this study are available upon reasonable request from the authors. | Approved | Most recent IF: 3.8 | ||
Call Number | PLASMANT @ plasmant @c:irua:188537 | Serial | 7069 | ||
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Author | Bogaerts, A.; Neyts, E.C.; Guaitella, O.; Murphy, A.B. | ||||
Title | Foundations of plasma catalysis for environmental applications | Type | A1 Journal article | ||
Year | 2022 | Publication | Plasma Sources Science & Technology | Abbreviated Journal | Plasma Sources Sci T |
Volume | Issue | Pages | |||
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Plasma catalysis is gaining increasing interest for various applications, but the underlying mechanisms are still far from understood. Hence, more fundamental research is needed to understand these mechanisms. This can be obtained by both modelling and experiments. This foundations paper describes the fundamental insights in plasma catalysis, as well as efforts to gain more insights by modelling and experiments. Furthermore, it discusses the state-of-the-art of the major plasma catalysis applications, as well as successes and challenges of technology transfer of these applications. | ||||
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Language | Wos | 000804396200001 | Publication Date | 2022-03-21 | |
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0963-0252 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.8 | Times cited | Open Access | OpenAccess | |
Notes | H2020 Marie Skłodowska-Curie Actions, 823745 ; H2020 European Research Council, 810182 ; We acknowldege 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) and the European Union’s Horizon 2020 Research and Innovation programme under the Marie Sklodowska-Curie Grant Agreement No. 813393 (PIONEER). | Approved | Most recent IF: 3.8 | ||
Call Number | PLASMANT @ plasmant @c:irua:188539 | Serial | 7070 | ||
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Author | Bissonnette-Dulude, J.; Heirman, P.; Coulombe, S.; Bogaerts, A.; Gervais, T.; Reuter, S. | ||||
Title | Coupling the COST reference plasma jet to a microfluidic device: a computational study | Type | A1 Journal article | ||
Year | 2024 | Publication | Plasma sources science and technology | Abbreviated Journal | Plasma Sources Sci. Technol. |
Volume | 33 | Issue | 1 | Pages | 015001 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
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. | ||||
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Language | Wos | 001136607100001 | Publication Date | 2024-01-01 | |
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0963-0252 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 3.8 | Times cited | Open Access | Not_Open_Access | |
Notes | Natural Sciences and Engineering Research Council of Canada, RGPIN-06820 ; FWO, 1100421N ; McGill University, the TransMedTech Institute; | Approved | Most recent IF: 3.8; 2024 IF: 3.302 | ||
Call Number | PLASMANT @ plasmant @c:irua:202783 | Serial | 8990 | ||
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Author | Biondo, O.; Fromentin, C.; Silva, T.; Guerra, V.; van Rooij, G.; Bogaerts, A. | ||||
Title | Insights into the limitations to vibrational excitation of CO2: validation of a kinetic model with pulsed glow discharge experiments | Type | A1 Journal article | ||
Year | 2022 | Publication | Plasma Sources Science & Technology | Abbreviated Journal | Plasma Sources Sci T |
Volume | 31 | Issue | 7 | Pages | 074003 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
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. | ||||
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Language | Wos | 000839466500001 | Publication Date | 2022-07-01 | |
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0963-0252 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.8 | Times cited | Open Access | OpenAccess | |
Notes | Fundação para a Ciência e a Tecnologia, PLA/0076/2021 ; H2020 Marie Skłodowska-Curie Actions, 813393 ; This research was supported by the European Union’s Horizon 2020 Research and Innovation programme under the Marie Sklodowska-Curie Grant Agreement No. 813393 (PIONEER). V Guerra and T Silva were partially funded by the Portuguese ‘FCT-Fundação para a Ciência e a Tecnologia’, under Projects UIDB/50010/2020, UIDP/50010/2020, PTDC/FISPLA/1616/2021 and EXPL/FIS-PLA/0076/2021. The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. | Approved | Most recent IF: 3.8 | ||
Call Number | PLASMANT @ plasmant @c:irua:190008 | Serial | 7106 | ||
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Author | Tennyson, J.; Mohr, S.; Hanicinec, M.; Dzarasova, A.; Smith, C.; Waddington, S.; Liu, B.; Alves, L.L.; Bartschat, K.; Bogaerts, A.; Engelmann, S.U.; Gans, T.; Gibson, A.R.; Hamaguchi, S.; Hamilton, K.R.; Hill, C.; O’Connell, D.; Rauf, S.; van ’t Veer, K.; Zatsarinny, O. | ||||
Title | The 2021 release of the Quantemol database (QDB) of plasma chemistries and reactions | Type | A1 Journal article | ||
Year | 2022 | Publication | Plasma Sources Science & Technology | Abbreviated Journal | Plasma Sources Sci T |
Volume | 31 | Issue | 9 | Pages | 095020 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | The Quantemol database (QDB) provides cross sections and rates of processes important for plasma models; heavy particle collisions (chemical reactions) and electron collision processes are considered. The current version of QDB has data on 28 917 processes between 2485 distinct species plus data for surface processes. These data are available via a web interface or can be delivered directly to plasma models using an application program interface; data are available in formats suitable for direct input into a variety of popular plasma modeling codes including HPEM, COMSOL, ChemKIN, CFD-ACE+, and VisGlow. QDB provides ready assembled plasma chemistries plus the ability to build bespoke chemistries. The database also provides a Boltzmann solver for electron dynamics and a zero-dimensional model. Thesedevelopments, use cases involving O<sub>2</sub>, Ar/NF<sub>3</sub>, Ar/NF<sub>3</sub>/O<sub>2</sub>, and He/H<sub>2</sub>O/O<sub>2</sub>chemistries, and plans for the future are presented. | ||||
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Language | Wos | 000895762200001 | Publication Date | 2022-09-01 | |
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0963-0252 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 3.8 | Times cited | Open Access | OpenAccess | |
Notes | Engineering and Physical Sciences Research Council, EP/N509577/1 ; Fundação para a Ciência e a Tecnologia, UIDB/50010/2020 ; Science and Technology Facilities Council, ST/K004069/1 ; National Science Foundation, OAC-1834740 ; | Approved | Most recent IF: 3.8 | ||
Call Number | PLASMANT @ plasmant @c:irua:192845 | Serial | 7245 | ||
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Author | Biondo, O.; Hughes, A.; van der Steeg, A.; Maerivoet, S.; Loenders, B.; van Rooij, G.; Bogaerts, A. | ||||
Title | Power concentration determined by thermodynamic properties in complex gas mixtures : the case of plasma-based dry reforming of methane | Type | A1 Journal article | ||
Year | 2023 | Publication | Plasma sources science and technology | Abbreviated Journal | |
Volume | 32 | Issue | 4 | Pages | 045001-45020 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
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. | ||||
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Language | Wos | 000963579500001 | Publication Date | 2023-03-23 | |
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0963-0252 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.8 | Times cited | Open Access | Not_Open_Access | |
Notes | Approved | Most recent IF: 3.8; 2023 IF: 3.302 | |||
Call Number | UA @ admin @ c:irua:196044 | Serial | 8397 | ||
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Author | Tsonev, I.; Boothroyd, J.; Kolev, S.; Bogaerts, A. | ||||
Title | Simulation of glow and arc discharges in nitrogen: effects of the cathode emission mechanisms | Type | A1 Journal Article | ||
Year | 2023 | Publication | PLASMA SOURCES SCIENCE & TECHNOLOGY | Abbreviated Journal | |
Volume | 32 | Issue | 5 | Pages | 054002 |
Keywords | A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
Abstract | Experimental evidence in the literature has shown that low-current direct current nitrogen discharges can exist in both glow and arc regimes at atmospheric pressure. However, modelling investigations of the positive column that include the influence of the cathode phenomena are scarce. In this work we developed a 2D axisymmetric model of a plasma discharge in flowing nitrogen gas, studying the influence of the two cathode emission mechanisms—thermionic field emission and secondary electron emission—on the cathode region and the positive column. We show for an inlet gas flow velocity of 1 m s<sup>−1</sup>in the current range of 80–160 mA, that the electron emission mechanism from the cathode greatly affects the size and temperature of the cathode region, but does not significantly influence the discharge column at atmospheric pressure. We also demonstrate that in the discharge column the electron density balance is local and the electron production and destruction is dominated by volume processes. With increasing flow velocity, the discharge contraction is enhanced due to the increased convective heat loss. The cross sectional area of the conductive region is strongly dependent on the gas velocity and heat conductivity of the gas. | ||||
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Language | Wos | 000987841800001 | Publication Date | 2023-05-01 | |
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0963-0252 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 3.8 | Times cited | Open Access | Not_Open_Access | |
Notes | This research is financially supported by the European Union’s Horizon 2020 research and innovation programme under Grant Agreement No. 965546. | Approved | Most recent IF: 3.8; 2023 IF: 3.302 | ||
Call Number | PLASMANT @ plasmant @c:irua:196972 | Serial | 8788 | ||
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Author | Vanraes, P.; Parayil Venugopalan, S.; Besemer, M.; Bogaerts, A. | ||||
Title | Assessing neutral transport mechanisms in aspect ratio dependent etching by means of experiments and multiscale plasma modeling | Type | A1 Journal Article | ||
Year | 2023 | Publication | Plasma Sources Science and Technology | Abbreviated Journal | Plasma Sources Sci. Technol. |
Volume | 32 | Issue | 6 | Pages | 064004 |
Keywords | A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
Abstract | Since the onset of pattern transfer technologies for chip manufacturing, various strategies have been developed to circumvent or overcome aspect ratio dependent etching (ARDE). These methods have, however, their own limitations in terms of etch non-idealities, throughput or costs. Moreover, they have mainly been optimized for individual in-device features and die-scale patterns, while occasionally ending up with poor patterning of metrology marks, affecting the alignment and overlay in lithography. Obtaining a better understanding of the underlying mechanisms of ARDE and how to mitigate them therefore remains a relevant challenge to date, for both marks and advanced nodes. In this work, we accordingly assessed the neutral transport mechanisms in ARDE by means of experiments and multiscale modeling for SiO<sub>2</sub>etching with CHF<sub>3</sub>/Ar and CF<sub>4</sub>/Ar plasmas. The experiments revealed a local maximum in the etch rate for an aspect ratio around unity, i.e. the simultaneous occurrence of regular and inverse reactive ion etching lag for a given etch condition. We were able to reproduce this ARDE trend in the simulations without taking into account charging effects and the polymer layer thickness, suggesting shadowing and diffuse reflection of neutrals as the primary underlying mechanisms. Subsequently, we explored four methods with the simulations to regulate ARDE, by varying the incident plasma species fluxes, the amount of polymer deposition, the ion energy and angular distribution and the initial hardmask sidewall angle, for which the latter was found to be promising in particular. Although our study focusses on feature dimensions characteristic to metrology marks and back-end-of-the-line integration, the obtained insights have a broader relevance, e.g. to the patterning of advanced nodes. Additionally, this work supports the insight that physisorption may be more important in plasma etching at room temperature than originally thought, in line with other recent studies, a topic on which we recommend further research. | ||||
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Language | Wos | 001021250100001 | Publication Date | 2023-06-01 | |
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0963-0252 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.8 | Times cited | Open Access | Not_Open_Access | |
Notes | P Vanraes acknowledges funding by ASML for the project ‘Computational simulation of plasma etching of trench structures’. P Vanraes and A Bogaerts want to express their gratitude to Mark J Kushner (University of Michigan) for the sharing of the HPEM and MCFPM codes, and for the interesting exchange of views. P Vanraes wishes to thank Violeta Georgieva and Stefan Tinck for the fruitful discussions on the HPEM code, Yu-Ru Zhang for an example of the CCP reactor code and Karel Venken for his technical help with the server maintenance and use. S P Venugopalan and M Besemer wish to thank Luigi Scaccabarozzi, Sander Wuister, Coen Verschuren, Michael Kubis, Kuan-Ming Chen, Ruben Maas, Huaichen Zhang and Julien Mailfert (ASML) for the insightful discussions. | Approved | Most recent IF: 3.8; 2023 IF: 3.302 | ||
Call Number | PLASMANT @ plasmant @c:irua:197760 | Serial | 8811 | ||
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Author | Albrechts, M.; Tsonev, I.; Bogaerts, A. | ||||
Title | Investigation of O atom kinetics in O2plasma and its afterglow | Type | A1 Journal Article | ||
Year | 2024 | Publication | Plasma Sources Science and Technology | Abbreviated Journal | Plasma Sources Sci. Technol. |
Volume | 33 | Issue | 4 | Pages | 045017 |
Keywords | A1 Journal Article; oxygen plasma, pseudo-1D plug-flow kinetic model, O atoms, low-pressure validation, atmospheric pressure microwave torch; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
Abstract | We have developed a comprehensive kinetic model to study the O atom kinetics in an O<sub>2</sub>plasma and its afterglow. By adopting a pseudo-1D plug-flow formalism within the kinetic model, our aim is to assess how far the O atoms travel in the plasma afterglow, evaluating its potential as a source of O atoms for post-plasma gas conversion applications. Since we could not find experimental data for pure O<sub>2</sub>plasma at atmospheric pressure, we first validated our model at low pressure (1–10 Torr) where very good experimental data are available. Good agreement between our model and experiments was achieved for the reduced electric field, gas temperature and the densities of the dominant neutral species, i.e. O<sub>2</sub>(a), O<sub>2</sub>(b) and O. Subsequently, we confirmed that the chemistry set is consistent with thermodynamic equilibrium calculations at atmospheric pressure. Finally, we investigated the O atom densities in the O<sub>2</sub>plasma and its afterglow, for which we considered a microwave O<sub>2</sub>plasma torch, operating at a pressure between 0.1 and 1 atm, for a flow rate of 20 slm and an specific energy input of 1656 kJ mol<sup>−1</sup>. Our results show that for both pressure conditions, a high dissociation degree of ca. 92% is reached within the discharge. However, the O atoms travel much further in the plasma afterglow for<italic>p</italic>= 0.1 atm (9.7 cm) than for<italic>p</italic>= 1 atm (1.4 cm), attributed to the longer lifetime (3.8 ms at 0.1 atm vs 1.8 ms at 1 atm) resulting from slower three-body recombination kinetics, as well as a higher volumetric flow rate. | ||||
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Language | Wos | 001209453500001 | Publication Date | 2024-04-01 | |
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0963-0252 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 3.8 | Times cited | Open Access | ||
Notes | This research was supported by the Horizon Europe Framework Program ‘Research and Innovation Actions’ (RIA), Project CANMILK (Grant No. 101069491). | Approved | Most recent IF: 3.8; 2024 IF: 3.302 | ||
Call Number | PLASMANT @ plasmant @c:irua:205920 | Serial | 9125 | ||
Permanent link to this record | |||||
Author | Titantah, J.T.; Lamoen, D.; Neyts, E.; Bogaerts, A. | ||||
Title | The effect of hydrogen on the electronic and bonding properties of amorphous carbon | Type | A1 Journal article | ||
Year | 2006 | Publication | Journal of physics : condensed matter | Abbreviated Journal | J Phys-Condens Mat |
Volume | 18 | Issue | 48 | Pages | 10803-10815 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | London | Editor | ||
Language | Wos | 000242650600008 | Publication Date | 2006-11-18 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN ![]() |
0953-8984;1361-648X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.649 | Times cited | 13 | Open Access | |
Notes | Approved | Most recent IF: 2.649; 2006 IF: 2.038 | |||
Call Number | UA @ lucian @ c:irua:60468 | Serial | 816 | ||
Permanent link to this record | |||||
Author | Cenian, A.; Chernukho, A.; Bogaerts, A.; Gijbels, R. | ||||
Title | Comment on 'Integral cross sections for electron impact excitation of electronic states of N2' | Type | Editorial | ||
Year | 2002 | Publication | Journal of physics: B : atomic and molecular physics | Abbreviated Journal | J Phys B-At Mol Opt |
Volume | 35 | Issue | 24 | Pages | 5163-5166 |
Keywords | Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Based on the existing experimental data and their statistical errors, it is not possible to make a sound recommendation of the cross-section set of Campbell et al (J. Phys. B: At. Mol. Opt. Phys. 34 (2001) 1185). We comment on this paper. | ||||
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Corporate Author | Thesis | ||||
Publisher | Iop publishing ltd | Place of Publication | Bristol | Editor | |
Language | Wos | 000180629500021 | Publication Date | 2002-12-05 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN ![]() |
0953-4075; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.792 | Times cited | 2 | Open Access | |
Notes | Approved | Most recent IF: 1.792; 2002 IF: 1.969 | |||
Call Number | UA @ lucian @ c:irua:40193 | Serial | 409 | ||
Permanent link to this record | |||||
Author | Neyts, E.; Eckert, M.; Bogaerts, A. | ||||
Title | Molecular dynamics simulations of the growth of thin a-C:H films under additional ion bombardment: influence of the growth species and the Ar+ ion kinetic energy | Type | A1 Journal article | ||
Year | 2007 | Publication | Chemical vapor deposition | Abbreviated Journal | Chem Vapor Depos |
Volume | 13 | Issue | 6/7 | Pages | 312-318 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Weinheim | Editor | ||
Language | Wos | 000248381800007 | Publication Date | 2007-07-10 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN ![]() |
0948-1907;1521-3862; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.333 | Times cited | 14 | Open Access | |
Notes | Approved | Most recent IF: 1.333; 2007 IF: 1.936 | |||
Call Number | UA @ lucian @ c:irua:64532 | Serial | 2176 | ||
Permanent link to this record | |||||
Author | Eckert, M.; Neyts, E.; Bogaerts, A. | ||||
Title | Molecular dynamics simulations of the sticking and etch behavior of various growth species of (ultra)nanocrystalline diamond films | Type | A1 Journal article | ||
Year | 2008 | Publication | Chemical vapor deposition | Abbreviated Journal | Chem Vapor Depos |
Volume | 14 | Issue | 7/8 | Pages | 213-223 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | The reaction behavior of species that may affect the growth of ultrananocrystal line and nanocrystalline diamond ((U)NCD) films is investigated by means of molecular dynamics simulations. Impacts of CHx (x = 0 – 4), C2Hx (x=0-6), C3Hx (x=0-2), C4Hx (x = 0 – 2), H, and H-2 on clean and hydrogenated diamond (100)2 x 1 and (111) 1 x 1 surfaces at two different substrate temperatures are simulated. We find that the different bonding structures of the two surfaces cause different temperature effects on the sticking efficiency. These results predict a temperature-dependent ratio of diamond (100) and (111) growth. Furthermore, predictions of which are the most important hydrocarbon species for (U)NCD growth are made. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Weinheim | Editor | ||
Language | Wos | 000259302700008 | Publication Date | 2008-08-18 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN ![]() |
0948-1907;1521-3862; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.333 | Times cited | 25 | Open Access | |
Notes | Approved | Most recent IF: 1.333; 2008 IF: 1.483 | |||
Call Number | UA @ lucian @ c:irua:70001 | Serial | 2177 | ||
Permanent link to this record | |||||
Author | Baguer, N.; Neyts, E.; van Gils, S.; Bogaerts, A. | ||||
Title | Study of atmospheric MOCVD of TiO2 thin films by means of computational fluid dynamics simulations | Type | A1 Journal article | ||
Year | 2008 | Publication | Chemical vapor deposition | Abbreviated Journal | Chem Vapor Depos |
Volume | 14 | Issue | 11/12 | Pages | 339-346 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | This paper presents the computational study of the metal-organic (MO) CVD of titanium dioxide (TiO2) films grown using titanium tetraisopropoxide (TTIP) as a precursor and nitrogen as a carrier gas. The TiO2 films are deposited under atmospheric pressure. The effects of the precursor concentration, the substrate temperature, and the hydrolysis reaction on the deposition process are investigated. It is found that hydrolysis of the TTIP decreases the onset temperature of the gas-phase thermal decomposition, and that the deposition rate increases with the precursor concentration and with the decrease of substrate temperature. Concerning the mechanism responsible for the film growth, the model shows that at the lowest precursor concentration, the direct adsorption of the precursor is dominant, while at higher precursor concentrations, the monomer deposition becomes more important. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Weinheim | Editor | ||
Language | Wos | 000262215800003 | Publication Date | 2008-12-18 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN ![]() |
0948-1907;1521-3862; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.333 | Times cited | 14 | Open Access | |
Notes | Approved | Most recent IF: 1.333; 2008 IF: 1.483 | |||
Call Number | UA @ lucian @ c:irua:71905 | Serial | 3325 | ||
Permanent link to this record | |||||
Author | Bogaerts, A.; Grozeva, M. | ||||
Title | Axial non-uniformity of longitudinal hollow cathode discharges for laser applications: numerical modeling and comparison with experiments | Type | A1 Journal article | ||
Year | 2002 | Publication | Applied physics: B: photo-physics and laser chemistry | Abbreviated Journal | Appl Phys B-Lasers O |
Volume | 75 | Issue | Pages | 731-738 | |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Berlin | Editor | ||
Language | Wos | 000180587100019 | Publication Date | 2004-03-19 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN ![]() |
0946-2171;1432-0649; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.696 | Times cited | 8 | Open Access | |
Notes | Approved | Most recent IF: 1.696; 2002 IF: 2.080 | |||
Call Number | UA @ lucian @ c:irua:44007 | Serial | 211 | ||
Permanent link to this record | |||||
Author | Bogaerts, A.; Grozeva, M. | ||||
Title | Effect of helium/argon gas ratio in a He-Ar-Cu+ IR hollow-cathode discharge laser : modeling study and comparison with experiments | Type | A1 Journal article | ||
Year | 2003 | Publication | Applied physics B : lasers and optics | Abbreviated Journal | Appl Phys B-Lasers O |
Volume | 76 | Issue | 3 | Pages | 299-306 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | The He-Ar-Cu+ IR laser operates in a hollow-cathode discharge, typically in a mixture of helium with a few-% Ar. The population inversion of the Cu+ ion levels, responsible for laser action, is attributed to asymmetric charge transfer between He+ ions and sputtered Cu atoms. The Ar gas is added to promote sputtering of the Cu cathode. In this paper, a hybrid modeling network consisting of several different models for the various plasma species present in a He-Ar-Cu hollow-cathode discharge is applied to investigate the effect of Ar concentration in the gas mixture on the discharge behavior, and to find the optimum He/Ar gas ratio for laser operation. It is found that the densities of electrons, Ar+ ions, Ar-m* metastable atoms, sputtered Cu atoms and Cu+ ions increase upon the addition of more Ar gas, whereas the densities of He+ ions, He-2(+) ions and He-m* metastable atoms drop considerably. The product of the calculated Cu atom and He+ ion densities, which determines the production rate of the upper laser levels, and hence probably also the laser output power, is found to reach a maximum around 1-5% Ar addition. This calculation result is compared to experimental measurements, and reasonable agreement has been reached. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Berlin | Editor | ||
Language | Wos | 000182758000017 | Publication Date | 2004-03-19 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN ![]() |
0946-2171;1432-0649; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.696 | Times cited | 6 | Open Access | |
Notes | Approved | Most recent IF: 1.696; 2003 IF: 2.012 | |||
Call Number | UA @ lucian @ c:irua:104125 | Serial | 812 | ||
Permanent link to this record | |||||
Author | Bogaerts, A.; Gijbels, R. | ||||
Title | New developments and applications in GDMS | Type | A1 Journal article | ||
Year | 1999 | Publication | Fresenius' journal of analytical chemistry | Abbreviated Journal | Fresen J Anal Chem |
Volume | 364 | Issue | Pages | 367-375 | |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Berlin | Editor | ||
Language | Wos | 000081637500002 | Publication Date | 2002-08-25 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN ![]() |
0937-0633;1432-1130; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 17 | Open Access | ||
Notes | Approved | Most recent IF: NA | |||
Call Number | UA @ lucian @ c:irua:24923 | Serial | 2311 | ||
Permanent link to this record | |||||
Author | Gijbels, R.; Bogaerts, A. | ||||
Title | Recent trends in solids mass spectrometry: GDMS and other methods | Type | A1 Journal article | ||
Year | 1997 | Publication | Fresenius' journal of analytical chemistry | Abbreviated Journal | Fresen J Anal Chem |
Volume | 359 | Issue | Pages | 326-330 | |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Berlin | Editor | ||
Language | Wos | A1997YC02800004 | Publication Date | 2002-08-25 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN ![]() |
0937-0633;1432-1130; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 5 | Open Access | ||
Notes | Approved | Most recent IF: NA | |||
Call Number | UA @ lucian @ c:irua:19607 | Serial | 2841 | ||
Permanent link to this record | |||||
Author | Bogaerts, A.; Gijbels, R. | ||||
Title | Three-dimensional modeling of a direct current glow discharge in argon: is it better than one-dimensional modeling? | Type | A1 Journal article | ||
Year | 1997 | Publication | Fresenius' journal of analytical chemistry | Abbreviated Journal | Fresen J Anal Chem |
Volume | 359 | Issue | Pages | 331-337 | |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Berlin | Editor | ||
Language | Wos | A1997YC02800005 | Publication Date | 2002-08-25 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN ![]() |
0937-0633;1432-1130; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 9 | Open Access | ||
Notes | Approved | Most recent IF: NA | |||
Call Number | UA @ lucian @ c:irua:19608 | Serial | 3654 | ||
Permanent link to this record | |||||
Author | Bogaerts, A.; Gijbels, R. | ||||
Title | Mathematical description of a direct current glow discharge in argon | Type | A1 Journal article | ||
Year | 1996 | Publication | Fresenius' journal of analytical chemistry | Abbreviated Journal | |
Volume | 355 | Issue | Pages | 853-857 | |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Berlin | Editor | ||
Language | Wos | A1996UY97500019 | Publication Date | 0000-00-00 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN ![]() |
0937-0633 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 12 | Open Access | ||
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:16240 | Serial | 1955 | ||
Permanent link to this record | |||||
Author | Kremer, S.P.B.; Kirschhock, C.E.A.; Aerts, A.; Villani, K.; Martens, J.A.; Lebedev, O.I.; Van Tendeloo, G. | ||||
Title | Tiling silicalite-1 nanoslabs into 3D mosaics | Type | A1 Journal article | ||
Year | 2003 | Publication | Advanced materials | Abbreviated Journal | Adv Mater |
Volume | 15 | Issue | 20 | Pages | 1705-1707 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Weinheim | Editor | ||
Language | Wos | 000186425600003 | Publication Date | 2003-10-23 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN ![]() |
0935-9648;1521-4095; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 19.791 | Times cited | 82 | Open Access | |
Notes | Approved | Most recent IF: 19.791; 2003 IF: NA | |||
Call Number | UA @ lucian @ c:irua:54810 | Serial | 3662 | ||
Permanent link to this record | |||||
Author | Huygh, S.; Bogaerts, A.; van Duin, A.C.T.; Neyts, E.C. | ||||
Title | Development of a ReaxFF reactive force field for intrinsic point defects in titanium dioxide | Type | A1 Journal article | ||
Year | 2014 | Publication | Computational materials science | Abbreviated Journal | Comp Mater Sci |
Volume | 95 | Issue | Pages | 579-591 | |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | A reactive ReaxFF force field is developed for studying the influence of intrinsic point defects on the chemistry with TiO2 condensed phases. The force field parameters are optimized to ab initio data for the equations of state, relative phase stabilities for titanium and titanium dioxide, potential energy differences for (TiO2)n-clusters (n = 116). Also data for intrinsic point defects in anatase were added. These data contain formation energies for interstitial titanium and oxygen vacancies, diffusion barriers of the oxygen vacancies and molecular oxygen adsorption on a reduced anatase (101) surface. Employing the resulting force field, we study the influence of concentration of oxygen vacancies and expansion or compression of an anatase surface on the diffusion of the oxygen vacancies. Also the barrier for oxygen diffusion in the subsurface region is evaluated using this force field. This diffusion barrier of 27.7 kcal/mol indicates that the lateral redistribution of oxygen vacancies on the surface and in the subsurface will be dominated by their diffusion in the subsurface, since both this barrier as well as the barriers for diffusion from the surface to the subsurface and vice versa (17.07 kcal/mol and 21.91 kcal/mol, respectively, as calculated with DFT), are significantly lower than for diffusion on the surface (61.12 kcal/mol as calculated with DFT). | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000343781700077 | Publication Date | 2014-09-16 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN ![]() |
0927-0256; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.292 | Times cited | 15 | Open Access | |
Notes | Approved | Most recent IF: 2.292; 2014 IF: 2.131 | |||
Call Number | UA @ lucian @ c:irua:119409 | Serial | 682 | ||
Permanent link to this record | |||||
Author | Van Aelst, J.; Philippaerts, A.; Turner, S.; Van Tendeloo, G.; Jacobs, P.; Sels, B. | ||||
Title | Heterogeneous conjugation of vegetable oil with alkaline treated highly dispersed Ru/USY catalysts | Type | A1 Journal article | ||
Year | 2016 | Publication | Applied catalysis : A : general | Abbreviated Journal | Appl Catal A-Gen |
Volume | 526 | Issue | 526 | Pages | 172-182 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Heterogeneous metal catalysts enable the direct conjugation of linoleic acid tails in vegetable oil to their conjugated linoleic acid (CIA) isomers. CIA-enriched oils are useful as renewable feedstock for the chemical industry and as nutraceutical. Up to now, a solvent-free process for conjugated oils without significant formation of undesired hydrogenation products was not existing. This work shows the design of Ru/USY catalysts able to directly conjugate highly unsaturated vegetable oils such as safflower oil in absence of solvent and hydrogen. Key is fast molecular transport of the bulky reagent and reactive product triglycerides in the zeolite crystal. A two-step zeolite post-synthetic treatment (with NH4OH and acetate salt) was applied to create the necessary mesoporosity. More open zeolite structures allow for a faster conjugation reaction, while securing a fast removal of the reactive conjugated triglycerides, otherwise rapidly deactivating through fouling and pore blockage by polymers. The best Ru/USY catalyst in this contribution is capable of producing exceptionally high yields of conjugated oils, containing up to almost 30 wt% conjugated fatty acid tails in safflower oil, at an initial production rate of 328 g(CLA) mL(-1) h(-1) per gram metal catalyst. (C) 2016 Elsevier B.V. All rights reserved. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | 000384865600021 | Publication Date | 2016-09-03 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN ![]() |
0926-860x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.339 | Times cited | 1 | Open Access | |
Notes | Approved | Most recent IF: 4.339 | |||
Call Number | UA @ lucian @ c:irua:137242 | Serial | 4383 | ||
Permanent link to this record | |||||
Author | 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. | ||||
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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 | ||
Permanent link to this record | |||||
Author | Zhang, Y.-R.; Van Laer, K.; Neyts, E.C.; Bogaerts, A. | ||||
Title | Can plasma be formed in catalyst pores? A modeling investigation | Type | A1 Journal article | ||
Year | 2016 | Publication | Applied catalysis : B : environmental | Abbreviated Journal | Appl Catal B-Environ |
Volume | 185 | Issue | 185 | Pages | 56-67 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | tWe investigate microdischarge formation inside catalyst pores by a two-dimensional fluid model forvarious pore sizes in the m-range and for various applied voltages. Indeed, this is a poorly understoodphenomenon in plasma catalysis. The calculations are performed for a dielectric barrier discharge inhelium, at atmospheric pressure. The electron and ion densities, electron temperature, electric field andpotential, as well as the electron impact ionization and excitation rate and the densities of excited plasmaspecies, are examined for a better understanding of the characteristics of the plasma inside a pore. Theresults indicate that the pore size and the applied voltage are critical parameters for the formation of amicrodischarge inside a pore. At an applied voltage of 20 kV, our calculations reveal that the ionizationmainly takes place inside the pore, and the electron density shows a significant increase near and inthe pore for pore sizes larger than 200m, whereas the effect of the pore on the total ion density isevident even for 10m pores. When the pore size is fixed at 30m, the presence of the pore has nosignificant influence on the plasma properties at an applied voltage of 2 kV. Upon increasing the voltage,the ionization process is enhanced due to the strong electric field and high electron temperature, andthe ion density shows a remarkable increase near and in the pore for voltages above 10 kV. These resultsindicate that the plasma species can be formed inside pores of structured catalysts (in the m range),and they may interact with the catalyst surface, and affect the plasma catalytic process. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000369452000006 | Publication Date | 2015-12-11 | |
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 | 75 | Open Access | |
Notes | This work was supported by the Fund for Scientific ResearchFlanders (FWO) (Grant no. G.0217.14N), the National Natural Sci-ence Foundation of China (Grant no. 11405019), and the ChinaPostdoctoral Science Foundation (Grant no. 2015T80244). Theauthors are very grateful to V. Meynen for the useful discussions oncatalysts. This work was carried out in part using the Turing HPCinfrastructure at the CalcUA core facility of the Universiteit Antwer-pen, a division of the Flemish Supercomputer Center VSC, fundedby the Hercules Foundation, the Flemish Government (departmentEWI) and the University of Antwerp. | Approved | Most recent IF: 9.446 | ||
Call Number | c:irua:129808 | Serial | 3984 | ||
Permanent link to this record | |||||
Author | Shirazi, M.; Neyts, E.C.; Bogaerts, A. | ||||
Title | DFT study of Ni-catalyzed plasma dry reforming of methane | Type | A1 Journal article | ||
Year | 2017 | Publication | Applied catalysis : B : environmental | Abbreviated Journal | Appl Catal B-Environ |
Volume | 205 | Issue | 205 | Pages | 605-614 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | tWe investigated the plasma-assisted catalytic reactions for the production of value-added chemicalsfrom Ni-catalyzed plasma dry reforming of methane by means of density functional theory (DFT). Weinspected many activation barriers, from the early stage of adsorption of the major chemical fragmentsderived fromCH4andCO2molecules up to the formation of value-added chemicals at the surface, focusingon the formation of methanol, as well as the hydrogenation of C1and C2hydrocarbon fragments. Theactivation barrier calculations show that the presence of surface-bound H atoms and in some cases alsoremaining chemical fragments at the surface facilitates the formation of products. This implies that thehydrogenation of a chemical fragment on the hydrogenated crystalline surface is energetically favouredcompared to the simple hydrogenation of the chemical fragment at the bare Ni(111) surface. Indeed, thepresence of hydrogen modifies the electronic structure of the surface and the course of the reactions.We therefore conclude that surface-bound H atoms, and to some extent also the remaining chemicalfragments at the crystalline surface, induce the following effects: they facilitate associative desorption ofmethanol and ethane by increasing the rate of H-transfer to the adsorbed fragments while they impedehydrogenation of ethylene to ethane, thus promoting again the desorption of ethylene. Overall, they thusfacilitate the catalytic conversion of the formed fragments from CH4and CO2, into value-added chemicals.Finally, we believe that the retention of methane fragments, especially CH3, in the presence of surface-boundHatoms (as observed here for Ni) can be regarded as an identifier for the proper choice of a catalystfor the production of value-added chemicals. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000393931000063 | Publication Date | 2017-01-05 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN ![]() |
0926-3373 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 9.446 | Times cited | 26 | Open Access | OpenAccess |
Notes | Financial support from the Reactive Atmospheric Plasmaprocessing –eDucation network (RAPID), through the EU 7thFramework Programme (grant agreement no. 606889) is grate-fully acknowledged. The calculations were performed using theTuring HPC infrastructure at the CalcUA core facility of the Univer-siteit Antwerpen, a division of the Flemish Supercomputer CenterVSC, funded by the Hercules Foundation, the Flemish | Approved | Most recent IF: 9.446 | ||
Call Number | PLASMANT @ plasmant @ c:irua:139514 | Serial | 4343 | ||
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Author | Yi, Y.; Li, S.; Cui, Z.; Hao, Y.; Zhang, Y.; Wang, L.; Liu, P.; Tu, X.; Xu, X.; Guo, H.; Bogaerts, A. | ||||
Title | Selective oxidation of CH4 to CH3OH through plasma catalysis: Insights from catalyst characterization and chemical kinetics modelling | Type | A1 Journal Article;Methane conversion | ||
Year | 2021 | Publication | Applied Catalysis B-Environmental | Abbreviated Journal | Appl Catal B-Environ |
Volume | 296 | Issue | Pages | 120384 | |
Keywords | A1 Journal Article;Methane conversion; Plasma catalysis; Selective oxidation; Methanol synthesis; Plasma chemistry; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
Abstract | The selective oxidation of methane to methanol (SOMTM) by molecular oxygen is a holy grail in catalytic chemistry and remains a challenge in chemical industry. We perform SOMTM in a CH4/O2 plasma, at low temperature and atmospheric pressure, promoted by Ni-based catalysts, reaching 81 % liquid oxygenates selectivity and 50 % CH3OH selectivity, with an excellent catalytic stability. Chemical kinetics modelling shows that CH3OH in the plasma is mainly produced through radical reactions, i.e., CH4 + O(1D) → CH3O + H, followed by CH3O + H + M→ CH3OH + M and CH3O + HCO → CH3OH + CO. The catalyst characterization shows that the improved production of CH3OH is attributed to abundant chemisorbed oxygen species, originating from highly dispersed NiO phase with strong oxide support interaction with γ-Al2O3, which are capable of promoting CH3OH formation through E-R reactions and activating H2O molecules to facilitate CH3OH desorption. | ||||
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Language | Wos | 000706860000003 | Publication Date | 2021-05-21 | |
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ISSN ![]() |
0926-3373 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 9.446 | Times cited | Open Access | OpenAccess | |
Notes | National Natural Science Foundation of China; PetroChina Innovation Foundation; We acknowledge financial support from the PetroChina Innovation Foundation [grant ID: 2018D-5007-0501], the Young Star Project of Dalian Science and Technology Bureau [grant ID: 2019RQ042], the National Natural Science Foundation of China [grant ID: 21503032] and the TOP research project of the Research Fund of the University of Antwerp [grant ID: 32249]. | Approved | Most recent IF: 9.446 | ||
Call Number | PLASMANT @ plasmant @c:irua:178816 | Serial | 6793 | ||
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Author | Wang, J.; Zhang, K.; Mertens, M.; Bogaerts, A.; Meynen, V. | ||||
Title | Plasma-based dry reforming of methane in a dielectric barrier discharge reactor: Importance of uniform (sub)micron packings/catalysts to enhance the performance | Type | A1 Journal Article | ||
Year | 2023 | Publication | APPLIED CATALYSIS B-ENVIRONMENTAL | Abbreviated Journal | |
Volume | 337 | Issue | Pages | 122977 | |
Keywords | A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
Abstract | This study presents new insights on the effect of (sub)micrometer particle sized materials in plasma-based CO2- CH4 reforming by investigating the performance of SiO2 spheres (with/without supported metal) of varying particle sizes. (Sub)micron particles synthesized through the St¨ober method were used instead of (sub)millimeter particles employed in previous studies. Increasing particle size (from 120 nm to 2390 nm) was found to first increase and then decrease conversion and energy yield, with optimal performance achieved using 740 nm 5 wt% Ni loaded SiO2, which improved CO2 and CH4 conversion, and energy yield to 44%, 55%, and 0.271 mmol/kJ, respectively, compared to 20%, 27%, and 0.116 mmol/kJ in an empty reactor at the same flow rate. This is the first to achieve significant performance improvement in a fully packed reactor, highlighting the importance of selecting a suitable particle size. The findings can offer guidance towards rational design of catalysts for plasmabased reactions. |
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Language | Wos | 001056527600001 | Publication Date | 2023-06-09 | |
Series Editor | Series Title | Abbreviated Series Title | |||
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ISSN ![]() |
0926-3373 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 22.1 | Times cited | Open Access | Not_Open_Access | |
Notes | This work is supported by the China Scholarship Council (No. 201806060123); and the VLAIO Catalisti transition project CO2PERATE (HBC.2017.0692). K.Z acknowledges the EASiCHEM project funded by the Flemish Strategic Basic Research Program of the Catalisti cluster and Flanders Innovation & Entrepreneurship (HBC.2018.0484). | Approved | Most recent IF: 22.1; 2023 IF: 9.446 | ||
Call Number | PLASMANT @ plasmant @c:irua:196955 | Serial | 8797 | ||
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