“In-situ chemical trapping of oxygen in the splitting of carbon dioxide by plasma”. Aerts R, Snoeckx R, Bogaerts A, Plasma processes and polymers 11, 985 (2014). http://doi.org/10.1002/ppap.201400091
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 29
DOI: 10.1002/ppap.201400091
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“An investigation into the dominant reactions for ethylene destruction in non-thermal atmospheric plasmas”. Aerts R, Tu X, De Bie C, Whitehead JC, Bogaerts A, Plasma processes and polymers 9, 994 (2012). http://doi.org/10.1002/ppap.201100168
Abstract: A crucial step, which is still not well understood in the destruction of volatile organic compounds (VOCs) with low temperature plasmas, is the initiation of the process. Here, we present a kinetic model for the destruction of ethylene in low temperature plasmas that allows us to calculate the relative importance of all plasma species and their related reactions. Modifying the ethylene concentration and/or the SED had a major impact on the relative importance of the radicals (i.e., mainly atomic oxygen) and the metastable nitrogen (i.e., more specifically N2(equation image)) in the destruction process. Our results show that the direct destruction by electron impact reactions for ethylene can be neglected; however, we can certainly not neglect the influence of N2(equation image)).
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 46
DOI: 10.1002/ppap.201100168
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“Removal of a past varnish treatment from a 19th-century Belgian wall painting by means of a solvent-loaded double network hydrogel”. Al-Emam E, Beltran V, De Meyer S, Nuyts G, Wetemans V, De Wael K, Caen J, Janssens K, Polymers 13, 2651 (2021). http://doi.org/10.3390/POLYM13162651
Abstract: Polymeric materials have been used by painting conservator-restorers as consolidants and/or varnishes for wall paintings. The application of these materials is carried out when confronting loose paint layers or as a protective coating. However, these materials deteriorate and cause physiochemical alterations to the treated surface. In the past, the monumental neo-gothic wall painting 'The Last Judgment' in the chapel of Sint-Jan Berchmanscollege in Antwerp, Belgium was treated with a synthetic polymeric material. This varnish deteriorated significantly and turned brown, obscuring the paint layers. Given also that the varnish was applied to some parts of the wall painting and did not cover the entire surface, it was necessary to remove it in order to restore the original appearance of the wall painting. Previous attempts carried out by conservator-restorers made use of traditional cleaning methods, which led to damage of the fragile paint layers. Therefore, gel cleaning was proposed as a less invasive and more controllable method for gently softening and removing the varnish. The work started by identifying the paint stratigraphy and the deteriorated varnish via optical microscopy (OM), scanning electron microscopy coupled with energy-dispersive X-ray spectroscopy (SEM-EDX), X-ray diffraction (XRD), and Fourier-transform infrared (FTIR) spectroscopy. A polyvinyl alcohol-borax/agarose (PVA-B/AG) hydrogel loaded with a number of solvents/solvent mixtures was employed in a series of tests to select the most suitable hydrogel composite. By means of the hydrogel composite loaded with 10% propylene carbonate, it was possible to safely remove the brown varnish layer. The results were verified by visual examinations (under visible light 'VIS' and ultraviolet light 'UV') as well as OM and FTIR spectroscopy.
Keywords: A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab); Antwerp X-ray Imaging and Spectroscopy (AXIS)
Impact Factor: 3.364
DOI: 10.3390/POLYM13162651
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“Special Issue on Numerical Modelling of Low-Temperature Plasmas for Various Applications –, Part I: Review and Tutorial Papers on Numerical Modelling Approaches”. Alves LL, Bogaerts A, Plasma processes and polymers 14, 1690011 (2017). http://doi.org/10.1002/ppap.201690011
Keywords: Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 3
DOI: 10.1002/ppap.201690011
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“Pressure as an additional control handle for non-thermal atmospheric plasma processes”. Belov I, Paulussen S, Bogaerts A, Plasma processes and polymers 14, 1700046 (2017). http://doi.org/10.1002/ppap.201700046
Abstract: above atmospheric) pressure regimes (1–3.5 bar). It was demonstrated that these operational conditions significantly influence both the discharge dynamics and the process efficiencies of O2 and CO2 discharges. For the case of the O2 DBD, the pressure rise results in the amplification of the discharge current, the appearance of emission lines of the metal electrode material (Fe, Cr, Ni) in the optical emission spectrum and the formation of a granular film of the erosion products (10–300 nm iron oxide nanoparticles) on the reactor walls. Somewhat similar behavior was observed also for the CO2 DBD. The discharge current, the relative intensity of the CO Angstrom band measured by Optical Emission Spectroscopy (OES) and the CO2 conversion rates could be stimulated to some extent by the rise in pressure. The optimal conditions for the O2 DBD (P = 2 bar) and the CO2 DBD (P = 1.5 bar) are demonstrated. It can be argued that the dynamics of the microdischarges (MD) define the underlying process of this behavior. It could be
demonstrated that the pressure increase stimulates the formation of more intensive but fewer MDs. In this way, the operating pressure can represent an additional tool to manipulate the properties of the MDs in a DBD, and as a result also the discharge performance.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 1
DOI: 10.1002/ppap.201700046
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“Synthesis of Micro- and Nanomaterials in CO2and CO Dielectric Barrier Discharges: Synthesis of Micro- and Nanomaterials…”. Belov I, Vanneste J, Aghaee M, Paulussen S, Bogaerts A, Plasma processes and polymers 14, 1600065 (2017). http://doi.org/10.1002/ppap.201600065
Abstract: Dielectric Barrier Discharges operating in CO and CO2 form solid products at atmospheric pressure. The main differences between both plasmas and their deposits were analyzed, at similar energy input. GC measurements revealed a mixture of CO2, CO, and O2 in the CO2 DBD exhaust, while no O2 was found in the CO plasma. A coating of nanoparticles composed of Fe, O, and C was produced by the CO2 discharge, whereas, a microscopic dendrite-like carbon structure was formed in the CO plasma. Fe3O4 and Fe crystalline phases were found in the CO2 sample. The CO
deposition was characterized as an amorphous structure, close to polymeric CO (p-CO). Interestingly, p-CO is not formed in the CO2 plasma, in spite of the significant amounts of CO produced (up to 30% in the reactor exhaust).
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 10
DOI: 10.1002/ppap.201600065
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“Special issue on numerical modelling of low-temperature plasmas for various applications –, part II: Research papers on numerical modelling for various plasma applications”. Bogaerts A, Alves LL, Plasma processes and polymers 14, 1790041 (2017). http://doi.org/10.1002/ppap.201790041
Keywords: Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 2
DOI: 10.1002/ppap.201790041
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“Computer modeling of plasmas and plasma-surface interactions”. Bogaerts A, Bultinck E, Eckert M, Georgieva V, Mao M, Neyts E, Schwaederlé, L, Plasma processes and polymers 6, 295 (2009). http://doi.org/10.1002/ppap.200800207
Abstract: In this paper, an overview is given of different modeling approaches used for describing gas discharge plasmas, as well as plasma-surface interactions. A fluid model is illustrated for describing the detailed plasma chemistry in capacitively coupled rf discharges. The strengths and limitations of Monte Carlo simulations and of a particle-in-cell-Monte Carlo collisions model are explained for a magnetron discharge, whereas the capabilities of a hybrid Monte Carlo-fluid approach are illustrated for a direct current glow discharge used for spectrochemical analysis of materials. Finally, some examples of molecular dynamics simulations, for the purpose of plasma-deposition, are given.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 18
DOI: 10.1002/ppap.200800207
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“Plasma based CO2and CH4conversion: A modeling perspective”. Bogaerts A, De Bie C, Snoeckx R, Koz?k T, Plasma processes and polymers 14, 1600070 (2017). http://doi.org/10.1002/ppap.201600070
Abstract: This paper gives an overview of our plasma chemistry modeling for CO2 and CH4 conversion in a dielectric barrier discharge (DBD) and microwave (MW) plasma. We focus on pure CO2 splitting and pure CH4 reforming, as well as mixtures of CO2/CH4, CH4/O2, and CO2/H2O. We show calculation results for the conversion, energy efficiency, and product formation, in comparison with experiments where possible. We also present the underlying chemical reaction pathways, to explain the observed
trends. For pure CO2, a comparison is made between a DBD and MW plasma, illustrating that the higher energy efficiency of the latter is attributed to the more important role of the vibrational levels.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 17
DOI: 10.1002/ppap.201600070
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“Computer simulations for processing plasmas”. Bogaerts A, de Bleecker K, Georgieva V, Kolev I, Madani M, Neyts E, Plasma processes and polymers 3, 110 (2006). http://doi.org/10.1002/ppap.200500065
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 8
DOI: 10.1002/ppap.200500065
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“Reactive molecular dynamics simulations for a better insight in plasma medicine”. Bogaerts A, Yusupov M, Van der Paal J, Verlackt CCW, Neyts EC, Plasma processes and polymers 11, 1156 (2014). http://doi.org/10.1002/ppap.201400084
Abstract: In this review paper, we present several examples of reactive molecular dynamics simulations, which contribute to a better understanding of the underlying mechanisms in plasma medicine on the atomic scale. This includes the interaction of important reactive oxygen plasma species with the outer cell wall of both gram-positive and gram-negative bacteria, and with lipids present in human skin. Moreover, as most biomolecules are surrounded by a liquid biofilm, the behavior of these plasma species in a liquid (water) layer is presented as well. Finally, a perspective for future atomic scale modeling studies is given, in the field of plasma medicine in general, and for cancer treatment in particular.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 22
DOI: 10.1002/ppap.201400084
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“White paper on the future of plasma science in environment, for gas conversion and agriculture”. Brandenburg R, Bogaerts A, Bongers W, Fridman A, Fridman G, Locke BR, Miller V, Reuter S, Schiorlin M, Verreycken T, Ostrikov KK, Plasma processes and polymers 16, 1700238 (2019). http://doi.org/10.1002/ppap.201700238
Abstract: Climate change, environmental pollution control, and resource utilization efficiency, as well as food security, sustainable agriculture, and water supply are among the main challenges facing society today. Expertise across different academic fields, technologies,anddisciplinesisneededtogeneratenewideastomeetthesechallenges. This “white paper” aims to provide a written summary by describing the main aspects and possibilities of the technology. It shows that plasma science and technology can make significant contributions to address the mentioned issues. The paper also addresses to people in the scientific community (inside and outside plasma science) to give inspiration for further work in these fields.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 19
DOI: 10.1002/ppap.201700238
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“Particle-in-cell/Monte Carlo collisions model for the reactive sputter deposition of nitride layers”. Bultinck E, Mahieu S, Depla D, Bogaerts A, Plasma processes and polymers 6, S784 (2009). http://doi.org/10.1002/ppap.200931904
Abstract: A 2d3v Particle-in-cell/Monte Carlo collisions (PIC/MCC) model was constructed for an Ar/N2 reactive gas mixture in a magnetron discharge. A titanium target was used, in order to study the sputter deposition of a TiNx thin film. Cathode currents and voltages were calculated self-consistently and compared with experiments. Also, ion fluxes to the cathode were calculated, which cause sputtering of the target. The sputtered atom fluxes from the target, and to the substrate were calculated, in order to visualize the deposition of the TiNx film.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 2
DOI: 10.1002/ppap.200931904
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“Unveiling the interaction mechanisms of cold atmospheric plasma and amino acids by machine learning”. Chai Z-N, Wang X-C, Yusupov M, Zhang Y-T, Plasma processes and polymers , 1 (2024). http://doi.org/10.1002/PPAP.202300230
Abstract: Plasma medicine has attracted tremendous interest in a variety of medical conditions, ranging from wound healing to antimicrobial applications, even in cancer treatment, through the interactions of cold atmospheric plasma (CAP) and various biological tissues directly or indirectly. The underlying mechanisms of CAP treatment are still poorly understood although the oxidative effects of CAP with amino acids, peptides, and proteins have been explored experimentally. In this study, machine learning (ML) technology is introduced to efficiently unveil the interaction mechanisms of amino acids and reactive oxygen species (ROS) in seconds based on the data obtained from the reactive molecular dynamics (MD) simulations, which are performed to probe the interaction of five types of amino acids with various ROS on the timescale of hundreds of picoseconds but with the huge computational load of several days. The oxidative reactions typically start with H-abstraction, and the details of the breaking and formation of chemical bonds are revealed; the modification types, such as nitrosylation, hydroxylation, and carbonylation, can be observed. The dose effects of ROS are also investigated by varying the number of ROS in the simulation box, indicating agreement with the experimental observation. To overcome the limits of timescales and the size of molecular systems in reactive MD simulations, a deep neural network (DNN) with five hidden layers is constructed according to the reaction data and employed to predict the type of oxidative modification and the probability of occurrence only in seconds as the dose of ROS varies. The well-trained DNN can effectively and accurately predict the oxidative processes and productions, which greatly improves the computational efficiency by almost ten orders of magnitude compared with the reactive MD simulation. This study shows the great potential of ML technology to efficiently unveil the underpinning mechanisms in plasma medicine based on the data from reactive MD simulations or experimental measurements. In this study, since reactive molecular dynamics simulation can currently only describe interactions between a few hundred atoms in a few hundred picoseconds, deep neural networks (DNN) are introduced to enhance the simulation results by predicting more data efficiently. image
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.5
DOI: 10.1002/PPAP.202300230
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“Reliable Characterization of Organic &, Pharmaceutical Compounds with High Resolution Monochromated EEL Spectroscopy”. Das PP, Guzzinati G, Coll C, Gomez Perez A, Nicolopoulos S, Estrade S, Peiro F, Verbeeck J, Zompra AA, Galanis AS, Polymers 12, 1434 (2020). http://doi.org/10.3390/polym12071434
Abstract: Organic and biological compounds (especially those related to the pharmaceutical industry) have always been of great interest for researchers due to their importance for the development of new drugs to diagnose, cure, treat or prevent disease. As many new API (active pharmaceutical ingredients) and their polymorphs are in nanocrystalline or in amorphous form blended with amorphous polymeric matrix (known as amorphous solid dispersion—ASD), their structural identification and characterization at nm scale with conventional X-Ray/Raman/IR techniques becomes difficult. During any API synthesis/production or in the formulated drug product, impurities must be identified and characterized. Electron energy loss spectroscopy (EELS) at high energy resolution by transmission electron microscope (TEM) is expected to be a promising technique to screen and identify the different (organic) compounds used in a typical pharmaceutical or biological system and to detect any impurities present, if any, during the synthesis or formulation process. In this work, we propose the use of monochromated TEM-EELS, to analyze selected peptides and organic compounds and their polymorphs. In order to validate EELS for fingerprinting (in low loss/optical region) and by further correlation with advanced DFT, simulations were utilized.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.364
Times cited: 6
DOI: 10.3390/polym12071434
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“Fluid modeling of the conversion of methane into higher hydrocarbons in an atmospheric pressure dielectric barrier discharge”. De Bie C, Verheyde B, Martens T, van Dijk J, Paulussen S, Bogaerts A, Plasma processes and polymers 8, 1033 (2011). http://doi.org/10.1002/ppap.201100027
Abstract: A one-dimensional fluid model for a dielectric barrier discharge in methane, used as a chemical reactor for gas conversion, is developed. The model describes the gas phase chemistry governing the conversion process of methane to higher hydrocarbons. The spatially averaged densities of the various plasma species as a function of time are discussed. Besides, the conversion of methane and the yields of the reaction products as a function of the residence time in the reactor are shown and compared with experimental data. Higher hydrocarbons (C2Hy and C3Hy) and hydrogen gas are typically found to be important reaction products. Furthermore, the main underlying reaction pathways are determined.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 70
DOI: 10.1002/ppap.201100027
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“The penetration of reactive oxygen and nitrogen species across the stratum corneum”. Duan J, Ma M, Yusupov M, Cordeiro RM, Lu X, Bogaerts A, Plasma Processes And Polymers (2020). http://doi.org/10.1002/ppap.202000005
Abstract: The penetration of reactive oxygen and nitrogen species (RONS) across the stratum corneum (SC) is a necessary and crucial process in many skin‐related plasma medical applications. To gain more insights into this penetration behavior, we combined experimental measurements of the permeability of dry and moist SC layers with computer simulations of model lipid membranes. We measured the permeation of relatively stable molecules, which are typically generated by plasma, namely H2O2, NO3−, and NO2−. Furthermore, we calculated the permeation free energy profiles of the major plasma‐generated RONS and their derivatives (i.e., H2O2, OH, HO2, O2, O3, NO, NO2, N2O4, HNO2, HNO3, NO2−, and NO3−) across native and oxidized SC lipid bilayers, to understand the mechanisms of RONS permeation across the SC. Our results indicate that hydrophobic RONS (i.e., NO, NO2, O2, O3, and N2O4) can translocate more easily across the SC lipid bilayer than hydrophilic RONS (i.e., H2O2, OH, HO2, HNO2, and HNO3) and ions (i.e., NO2− and NO3−) that experience much higher permeation barriers. The permeability of RONS through the SC skin lipids is enhanced when the skin is moist and the lipids are oxidized. These findings may help to understand the underlying mechanisms of plasma interaction with a biomaterial and to optimize the environmental parameters in practice in plasma medical applications.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.5
DOI: 10.1002/ppap.202000005
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“Deposition of aminosilane coatings on porous Al2O3microspheres by means of dielectric barrier discharges”. Garzia Trulli M, Claes N, Pype J, Bals S, Baert K, Terryn H, Sardella E, Favia P, Vanhulsel A, Plasma processes and polymers 14, 1600211 (2017). http://doi.org/10.1002/ppap.201600211
Abstract: Advances in the synthesis of porous microspheres and in their functionalization are increasing the interest in applications of alumina. This paper deals with coatings plasma deposited from 3-aminopropyltriethoxysilane by means of dielectric barrier discharges on alumina porous microspheres, shaped by a vibrational droplet coagulation technique. Aims of the work are the functionalization of the particles with active amino groups, as well as the evaluation of their surface coverage and of the penetration of the coatings into their pores. A multi-diagnostic approach was used for the chemical/morphological characterization of the particles. It was found that 5 min exposure to plasma discharges promotes the deposition of homogeneous coatings onto the microspheres and within their pores, down to 1 μm.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
Impact Factor: 2.846
Times cited: 8
DOI: 10.1002/ppap.201600211
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“Understanding Microwave Surface-Wave Sustained Plasmas at Intermediate Pressure by 2D Modeling and Experiments: Understanding Microwave Surface-Wave Sustained Plasmas …”. Georgieva V, Berthelot A, Silva T, Kolev S, Graef W, Britun N, Chen G, van der Mullen J, Godfroid T, Mihailova D, van Dijk J, Snyders R, Bogaerts A, Delplancke-Ogletree M-P, Plasma processes and polymers 14, 1600185 (2017). http://doi.org/10.1002/ppap.201600185
Abstract: An Ar plasma sustained by a surfaguide wave launcher is investigated at intermediate pressure (200–2667 Pa). Two 2D self-consistent models (quasi-neutral and plasma bulk-sheath) are developed and benchmarked. The complete set of electromagnetic and fluid equations and the boundary conditions are presented. The transformation of fluid equations from a local reference frame, that is, moving with plasma or when the gas flow is zero, to a laboratory reference frame, that is,
accounting for the gas flow, is discussed. The pressure range is extended down to 80 Pa by experimental measurements. The electron temperature decreases with pressure. The electron density depends linearly on power, and changes its behavior with pressure depending on the product of pressure and radial plasma size.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 8
DOI: 10.1002/ppap.201600185
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“A Comprehensive Chemical Model for the Splitting of CO2in Non-Equilibrium Plasmas: A Comprehensive Chemical Model for CO2Splitting”. Koelman P, Heijkers S, Tadayon Mousavi S, Graef W, Mihailova D, Kozak T, Bogaerts A, van Dijk J, Plasma processes and polymers 14, 1600155 (2017). http://doi.org/10.1002/ppap.201600155
Abstract: An extensive CO2 plasmamodel is presented that is relevant for the production of ‘‘solar fuels.’’ It is based on reaction rate coefficients fromrigorously reviewed literature, and is augmented with reactionrate coefficients that are obtained fromscaling laws.The input data set,which is suitable for usage with the plasma simulation software Plasimo (https://plasimo.phys.tue.nl/), is available via the Plasimo and publisher’s websites.1 The correctness of this model implementation has been established by independent ZDPlasKin implementation (http://www.zdplaskin.
laplace.univ-tlse.fr/), to verify that the results agree. Results of these ‘‘global models’’ are presented for a DBD plasma reactor.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 21
DOI: 10.1002/ppap.201600155
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“PIC –, MCC numerical simulation of a DC planar magnetron”. Kolev I, Bogaerts A, Plasma processes and polymers 3, 127 (2006). http://doi.org/10.1002/ppap.200500118
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 27
DOI: 10.1002/ppap.200500118
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“Quasi-Neutral Modeling of Gliding Arc Plasmas: Quasi-Neutral Modeling of Gliding Arc Plasmas”. Kolev S, Sun S, Trenchev G, Wang W, Wang H, Bogaerts A, Plasma processes and polymers 14, 1600110 (2017). http://doi.org/10.1002/ppap.201600110
Abstract: The modelling of a gliding arc discharge (GAD) is studied by means of the quasineutral (QN) plasma modelling approach. The model is first evaluated for reliability and proper description of a gliding arc discharge at atmospheric pressure, by comparing with a more elaborate non-quasineutral (NQN) plasma model in two different geometries – a 2D axisymmetric and a Cartesian geometry. The NQN model is considered as a reference, since it provides a continuous self-consistent plasma description, including the near electrode regions. In general, the results of the QN model agree very well with those obtained from the NQN model. The small differences between both models are attributed to the approximations in the derivation of the QN model. The use of the QN model provides a substantial reduction of the computation time compared to the NQN model, which is crucial for the development of more complex models in three dimensions or with complicated chemistries. The latter is illustrated for (i) a reverse vortex flow(RVF) GAD in argon, and (ii) a GAD in CO2. The RVF discharge is modelled in three dimensions and the effect of the turbulent heat transport on the plasma and gas characteristics is
discussed. The GAD model in CO2 is in a 1D geometry with axial symmetry and provides results for the time evolution of the electron, gas and vibrational temperature of CO2, as well as for the molar fractions of the different species.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 9
DOI: 10.1002/ppap.201600110
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“Oxidation and degradation of native wheat starch by acidic bromate in water at room temperature”. Komulainen S, Verlackt C, Pursiainen J, Lajunen M, Carbohydrate Polymers 93, 73 (2013). http://doi.org/10.1016/j.carbpol.2012.06.001
Abstract: Native wheat starch was oxidized by benign acidic bromate in water at room temperature. HPLC-ELSD study indicated that starch degraded in the course of oxidation but it still had a polymeric structure characterized by H-1, C-13, HSQC and HMBC NMR measurements. Products were generally water-soluble fragments but the use of a short reaction time and dilute reaction mixture yielded water-insoluble products. Titration of the products showed, that the increase of the starch content and reaction time increased the content of carbonyl and carboxyl groups in the range of 0.5-2.5% and 1.7-17.2%, respectively, in the product fragments. A mechanism for the oxidation reaction was proposed. (C) 2012 Elsevier Ltd. All rights reserved.
Keywords: A1 Journal article; Electron Microscopy for Materials Science (EMAT);
Impact Factor: 4.811
Times cited: 32
DOI: 10.1016/j.carbpol.2012.06.001
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“Plasma processes and polymers third special issue on plasma and cancer”. Laroussi M, Bogaerts A, Barekzi N, Plasma processes and polymers 13, 1142 (2016). http://doi.org/10.1002/ppap.201600193
Keywords: Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 1
DOI: 10.1002/ppap.201600193
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“Toward defining plasma treatment dose : the role of plasma treatment energy of pulsed‐dielectric barrier discharge in dictating in vitro biological responses”. Lin A, Biscop E, Gorbanev Y, Smits E, Bogaerts A, Plasma Processes And Polymers 19, e2100151 (2022). http://doi.org/10.1002/PPAP.202100151
Abstract: The energy dependence of a pulsed-dielectric barrier discharge (DBD) plasma treatment on chemical species production and biological responses was investigated. We hypothesized that the total plasma energy delivered during treatment encompasses the influence of major application parameters. A microsecond-pulsed DBD system was used to treat three different cancer cell lines and cell viability was analyzed. The energy per pulse was measured and the total plasma treatment energy was controlled by adjusting the pulse frequency, treatment time, and application distance. Our data suggest that the delivered plasma energy plays a predominant role in stimulating a biological response in vitro. This study aids in developing steps toward defining a plasma treatment unit and treatment dose for biomedical and clinical research.
Keywords: A1 Journal article; Pharmacology. Therapy; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.5
DOI: 10.1002/PPAP.202100151
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“Modelling the dynamics of hydrogen synthesis from methane in nanosecond‐pulsed plasmas”. Morais E, Bogaerts A, Plasma processes and polymers 21 (2024). http://doi.org/10.1002/ppap.202300149
Abstract: A chemical kinetics model was developed to characterise the gas‐phase dynamics of H<sub>2</sub>production in nanosecond‐pulsed CH<sub>4</sub>plasmas. Pulsed behaviour was observed in the calculated electric field, electron temperature and species densities at all pressures. The model agrees reasonably with experimental results, showing CH<sub>4</sub>conversion at 30% and C<sub>2</sub>H<sub>2</sub>and H<sub>2</sub>as major products. The underlying mechanisms in CH<sub>4</sub>dissociation and H<sub>2</sub>formation were analysed, highlighting the large contribution of vibrationally excited CH<sub>4</sub>and H<sub>2</sub>to coupling energy from the plasma into gas‐phase heating, and revealing that H<sub>2</sub>synthesis is not affected by applied pressure, with selectivity remaining unchanged at ~42% in the 1–5 bar range.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.5
DOI: 10.1002/ppap.202300149
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“Effect of electric fields on plasma catalytic hydrocarbon oxidation from atomistic simulations”. Neyts EC, Bal KM, Plasma processes and polymers 14, e1600158 (2017). http://doi.org/10.1002/PPAP.201600158
Abstract: The catalytic oxidative dehydrogenation of hydrocarbons is an industrially important process, in which selectivity is a key issue. We here investigate the conversion of methanol to formaldehyde on a vanadia surface employing long timescale simulations, reaching a time scale of seconds. In particular, we compare the thermal process to the case where an additional external electric field is applied, as would be the case in a direct plasma-catalysis setup. We find that the electric field influences the retention time of the molecules at the catalyst surface. These simulations provide an atomic scale insight in the thermal catalytic oxidative dehydrogenation process, and in how an external electric field may affect this process.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 2
DOI: 10.1002/PPAP.201600158
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“Molecular Dynamics Simulations for Plasma-Surface Interactions: Molecular Dynamics Simulations…”. Neyts EC, Brault P, Plasma processes and polymers 14, 1600145 (2017). http://doi.org/10.1002/ppap.201600145
Abstract: Plasma-surface interactions are in general highly complex due to the interplay of many concurrent processes. Molecular dynamics simulations provide insight in some of these processes, subject to the accessible time and length scales, and the availability of suitable force fields. In this introductory tutorial-style review, we aim to describe the current capabilities and limitations of molecular dynamics simulations in this field, restricting ourselves to low-temperature nonthermal plasmas. Attention is paid to the simulation of the various fundamental processes occurring, including sputtering, etching, implantation, and deposition, as well as to what extent the basic plasma components can be accounted for, including ground state and excited species, electric fields, ions, photons, and electrons. A number of examples is provided, giving an bird’s eye overview of the current state of the field.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 13
DOI: 10.1002/ppap.201600145
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“Special issue: Plasma Conversion”. Nozaki T, Bogaerts A, Tu X, Sanden R, Plasma processes and polymers 14, 1790061 (2017). http://doi.org/10.1002/ppap.201790061
Keywords: Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
DOI: 10.1002/ppap.201790061
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“Effect of argon or helium on the CO2 conversion in a dielectric barrier discharge”. Ramakers M, Michielsen I, Aerts R, Meynen V, Bogaerts A, Plasma processes and polymers 12, 755 (2015). http://doi.org/10.1002/ppap.201400213
Abstract: This paper demonstrates that the CO2 conversion in a dielectric barrier discharge rises drastically upon addition of Ar or He, and the effect is more pronounced for Ar than for He. The effective CO2 conversion, on the other hand, drops upon addition of Ar or He, which is logical due to the lower CO2 content in the gas mixture, and the same is true for the energy efficiency, because a considerable fraction of the energy is then consumed into ionization/excitation of Ar or He atoms. The higher absolute CO2 conversion upon addition of Ar or He can be explained by studying in detail the Lissajous plots and the current profiles. The breakdown voltage is lower in the CO2/Ar and CO2/He mixtures, and the discharge gap is more filled with plasma, which enhances the possibility for CO2 conversion. The rates of electron impact excitationdissociation of CO2, estimated from the electron densities and mean electron energies, are indeed higher in the CO2/Ar and (to a lower extent) in the CO2/He mixtures, compared to the pure CO2 plasma. Moreover, charge transfer between Ar+ or Ar2+ ions and CO2, followed by electron-ion dissociative recombination of the CO2+ ions, might also contribute to, or even be dominant for the CO2 dissociation. All these effects can explain the higher CO2 conversion, especially upon addition of Ar, but also upon addition of He.
Keywords: A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 63
DOI: 10.1002/ppap.201400213
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