| Records |
| Author |
Chai, Z.-N.; Wang, X.-C.; Yusupov, M.; Zhang, Y.-T. |
| Title |
Unveiling the interaction mechanisms of cold atmospheric plasma and amino acids by machine learning |
Type  |
A1 Journal article |
| Year |
2024 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
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| Volume |
|
Issue |
|
Pages |
1-26 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| 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 |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
001202061200001 |
Publication Date |
2024-04-15 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1612-8850 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
3.5 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.5; 2024 IF: 2.846 |
| Call Number |
UA @ admin @ c:irua:205512 |
Serial |
9181 |
| Permanent link to this record |
| |
|
| |
| 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. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000659671000001 |
Publication Date |
2021-06-01 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0963-0252 |
ISBN |
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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 |
| Permanent link to this record |
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| |
| Author |
Bogaerts, A.; van de Sanden, R. |
| Title |
Special Issue of Papers by Plenary and Topical Invited Lecturers at the 22nd International Symposium on Plasma Chemistry (ISPC 22), 5–10 July 2015, Antwerp, Belgium: Introduction |
Type |
Editorial |
| Year |
2016 |
Publication |
Plasma chemistry and plasma processing |
Abbreviated Journal |
Plasma Chem Plasma P |
| Volume |
36 |
Issue |
36 |
Pages |
1-2 |
| Keywords |
Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
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| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000370720800001 |
Publication Date |
2016-01-11 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0272-4324 |
ISBN |
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Additional Links |
UA library record; WoS full record |
| Impact Factor |
2.355 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.355 |
| Call Number |
c:irua:130713 |
Serial |
4003 |
| Permanent link to this record |
| |
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| |
| Author |
Laroussi, M.; Bogaerts, A.; Barekzi, N. |
| Title |
Plasma processes and polymers third special issue on plasma and cancer |
Type |
Editorial |
| Year |
2016 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
| Volume |
13 |
Issue |
13 |
Pages |
1142-1143 |
| Keywords |
Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
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| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000393131600001 |
Publication Date |
2016-10-20 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
1612-8850 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.846 |
Times cited |
1 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.846 |
| Call Number |
PLASMANT @ plasmant @ c:irua:141546 |
Serial |
4474 |
| Permanent link to this record |
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| Author |
Bogaerts, A.; Alves, L.L. |
| Title |
Special issue on numerical modelling of low-temperature plasmas for various applications – part II: Research papers on numerical modelling for various plasma applications |
Type |
Editorial |
| Year |
2017 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
| Volume |
14 |
Issue |
14 |
Pages |
1790041 |
| Keywords |
Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
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| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000403074000001 |
Publication Date |
2017-04-25 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
1612-8850 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.846 |
Times cited |
2 |
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 2.846 |
| Call Number |
PLASMANT @ plasmant @ c:irua:142637 |
Serial |
4559 |
| Permanent link to this record |
| |
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| |
| Author |
Nozaki, T.; Bogaerts, A.; Tu, X.; Sanden, R. |
| Title |
Special issue: Plasma Conversion |
Type |
Editorial |
| Year |
2017 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
| Volume |
14 |
Issue |
14 |
Pages |
1790061 |
| Keywords |
Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
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| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000403699900015 |
Publication Date |
2017-06-16 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
1612-8850 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.846 |
Times cited |
|
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 2.846 |
| Call Number |
PLASMANT @ plasmant @ c:irua:144211 |
Serial |
4578 |
| Permanent link to this record |
| |
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| |
| Author |
Alves, L.L.; Bogaerts, A. |
| Title |
Special Issue on Numerical Modelling of Low-Temperature Plasmas for Various Applications – Part I: Review and Tutorial Papers on Numerical Modelling Approaches |
Type |
Editorial |
| Year |
2017 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
| Volume |
14 |
Issue |
14 |
Pages |
1690011 |
| Keywords |
Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
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| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
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Publication Date |
2017-01-19 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
1612-8850 |
ISBN |
|
Additional Links |
UA library record |
| Impact Factor |
2.846 |
Times cited |
3 |
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 2.846 |
| Call Number |
PLASMANT @ plasmant @ c:irua:141721 |
Serial |
4475 |
| Permanent link to this record |
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| Author |
Cangi, A.; Moldabekov, Z.A.; Neilson, D. |
| Title |
International Conference on “Strongly Coupled Coulomb Systems” (July 24-29, 2022, Görlitz, Germany) |
Type |
Editorial |
| Year |
2023 |
Publication |
Contributions to plasma physics |
Abbreviated Journal |
|
| Volume |
63 |
Issue |
9-10 |
Pages |
e202300110-3 |
| Keywords |
Editorial; Condensed Matter Theory (CMT) |
| Abstract |
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| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
001100083800001 |
Publication Date |
2023-11-07 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0863-1042; 1521-3986 |
ISBN |
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Additional Links |
UA library record; WoS full record |
| Impact Factor |
1.6 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.6; 2023 IF: 1.44 |
| Call Number |
UA @ admin @ c:irua:201156 |
Serial |
9051 |
| Permanent link to this record |
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| |
| Author |
Bogaerts, A.; Snoeckx, R.; Trenchev, G.; Wang, W. |
| Title |
Modeling for a Better Understanding of Plasma-Based CO2 Conversion |
Type |
H1 Book Chapter |
| Year |
2018 |
Publication |
Plasma Chemistry and Gas Conversion |
Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
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| Keywords |
H1 Book Chapter; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; |
| Abstract |
This chapter discusses modeling efforts for plasma-based CO2 conversion, which are needed to obtain better insight in the underlying mechanisms, in order to improve this application. We will discuss two types of (complementary) modeling efforts that are most relevant, that is, (i) modeling of the detailed plasma chemistry by zero-dimensional (0D) chemical kinetic models and (ii) modeling of reactor design, by 2D or 3D fluid dynamics models. By showing some characteristic calculation results of both models, for CO2 splitting and in combination with a H-source, and for packed bed DBD and gliding arc plasma, we can illustrate the type of information they can provide. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
IntechOpen |
Place of Publication |
Rijeka |
Editor |
Britun, N.; Silva, T. |
| Language |
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Wos |
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Publication Date |
2018-12-19 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
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ISBN |
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Additional Links |
UA library record |
| Impact Factor |
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Times cited |
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Open Access |
Not_Open_Access |
| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
PLASMANT @ plasmant @ Bogaerts18c:irua:155915 |
Serial |
5142 |
| Permanent link to this record |
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| Author |
Belov, I.; Paulussen, S.; Bogaerts, A. |
| Title |
Analysis and comparison of the co2 and co dielectric barrier discharge solid products |
Type |
P1 Proceeding |
| Year |
2016 |
Publication |
Hakone Xv: International Symposium On High Pressure Low Temperature Plasma Chemistry: With Joint Cost Td1208 Workshop: Non-equilibrium Plasmas With Liquids For Water And Surface Treatment |
Abbreviated Journal |
|
| Volume |
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Issue |
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Pages |
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| Keywords |
P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
The CO and CO2 Dielectric Barrier Discharges (DBD) and their solid products were analyzed keeping similar energy input regimes. Gas chromatography analysis revealed the presence of CO2, CO and O-2 mixture in the exhaust of the CO2 DBD, while no O-2 was found when CO was used as a feed gas. It was shown that the C-2 Swan lines observed with optical emission spectroscopy were distinct in the CO plasma while they were not observed in the CO2 emission spectrum. Also the solid products of the plasmas exhibited remarkable differences. Nanoparticles with a diameter between10 and 300 nm, composed of Fe, O and C (Fe: O: C similar to 13: 50: 30) were produced by the CO2 DBD, while microscopic dendrite-like carbon structure (C: O similar to 73: 27) were formed in the CO plasma. The growth rate in the CO2 and CO DBDs was evaluated to be on the level of 0.15 mg/min and 15 mg/min, respectively. The difference of the CO and CO2 discharges and their products might be attributed to the oxygen content in the latter (6.4 mol.% O-2 in the exhaust) and subsequent etching of the carbonaceous film. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
Masarykova univ |
Place of Publication |
Brno |
Editor |
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| Language |
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Wos |
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Publication Date |
0000-00-00 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
978-80-210-8318-9 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:141554 |
Serial |
4516 |
| Permanent link to this record |
| |
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| |
| Author |
Bogaerts, A.; Snoeckx, R.; Berthelot, A.; Heijkers, S.; Wang, W.; Sun, S.; Van Laer, K.; Ramakers, M.; Michielsen, I.; Uytdenhouwen, Y.; Meynen, V.; Cool, P. |
| Title |
Plasma based co2 conversion: a combined modeling and experimental study |
Type |
P1 Proceeding |
| Year |
2016 |
Publication |
Hakone Xv: International Symposium On High Pressure Low Temperature Plasma Chemistry: With Joint Cost Td1208 Workshop: Non-equilibrium Plasmas With Liquids For Water And Surface Treatment |
Abbreviated Journal |
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| Volume |
|
Issue |
|
Pages |
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| Keywords |
P1 Proceeding; Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
In recent years there is increased interest in plasma-based CO2 conversion. Several plasma setups are being investigated for this purpose, but the most commonly used ones are a dielectric barrier discharge (DBD), a microwave (MW) plasma and a gliding arc (GA) reactor. In this proceedings paper, we will show results from our experiments in a (packed bed) DBD reactor and in a vortex-flow GA reactor, as well as from our model calculations for the detailed plasma chemistry in a DBD, MW and GA, for pure CO2 as well as mixtures of CO2 with N-2, CH4 and H2O. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
Masarykova univ |
Place of Publication |
Brno |
Editor |
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| Language |
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Wos |
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Publication Date |
0000-00-00 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
|
| ISSN |
978-80-210-8318-9 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:141553 |
Serial |
4526 |
| Permanent link to this record |
