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Plasma-Based CH(4) Conversion into Higher Hydrocarbons and H(2): Modeling to Reveal the Reaction Mechanisms of Different Plasma Sources

[Image: see text] Plasma is gaining interest for CH(4) conversion into higher hydrocarbons and H(2). However, the performance in terms of conversion and selectivity toward different hydrocarbons is different for different plasma types, and the underlying mechanisms are not yet fully understood. Ther...

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Autores principales: Heijkers, Stijn, Aghaei, Maryam, Bogaerts, Annemie
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7133111/
https://www.ncbi.nlm.nih.gov/pubmed/32273936
http://dx.doi.org/10.1021/acs.jpcc.0c00082
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author Heijkers, Stijn
Aghaei, Maryam
Bogaerts, Annemie
author_facet Heijkers, Stijn
Aghaei, Maryam
Bogaerts, Annemie
author_sort Heijkers, Stijn
collection PubMed
description [Image: see text] Plasma is gaining interest for CH(4) conversion into higher hydrocarbons and H(2). However, the performance in terms of conversion and selectivity toward different hydrocarbons is different for different plasma types, and the underlying mechanisms are not yet fully understood. Therefore, we study here these mechanisms in different plasma sources, by means of a chemical kinetics model. The model is first validated by comparing the calculated conversions and hydrocarbon/H(2) selectivities with experimental results in these different plasma types and over a wide range of specific energy input (SEI) values. Our model predicts that vibrational–translational nonequilibrium is negligible in all CH(4) plasmas investigated, and instead, thermal conversion is important. Higher gas temperatures also lead to a more selective production of unsaturated hydrocarbons (mainly C(2)H(2)) due to neutral dissociation of CH(4) and subsequent dehydrogenation processes, while three-body recombination reactions into saturated hydrocarbons (mainly C(2)H(6), but also higher hydrocarbons) are dominant in low temperature plasmas.
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spelling pubmed-71331112020-04-07 Plasma-Based CH(4) Conversion into Higher Hydrocarbons and H(2): Modeling to Reveal the Reaction Mechanisms of Different Plasma Sources Heijkers, Stijn Aghaei, Maryam Bogaerts, Annemie J Phys Chem C Nanomater Interfaces [Image: see text] Plasma is gaining interest for CH(4) conversion into higher hydrocarbons and H(2). However, the performance in terms of conversion and selectivity toward different hydrocarbons is different for different plasma types, and the underlying mechanisms are not yet fully understood. Therefore, we study here these mechanisms in different plasma sources, by means of a chemical kinetics model. The model is first validated by comparing the calculated conversions and hydrocarbon/H(2) selectivities with experimental results in these different plasma types and over a wide range of specific energy input (SEI) values. Our model predicts that vibrational–translational nonequilibrium is negligible in all CH(4) plasmas investigated, and instead, thermal conversion is important. Higher gas temperatures also lead to a more selective production of unsaturated hydrocarbons (mainly C(2)H(2)) due to neutral dissociation of CH(4) and subsequent dehydrogenation processes, while three-body recombination reactions into saturated hydrocarbons (mainly C(2)H(6), but also higher hydrocarbons) are dominant in low temperature plasmas. American Chemical Society 2020-03-04 2020-04-02 /pmc/articles/PMC7133111/ /pubmed/32273936 http://dx.doi.org/10.1021/acs.jpcc.0c00082 Text en Copyright © 2020 American Chemical Society This is an open access article published under an ACS AuthorChoice License (http://pubs.acs.org/page/policy/authorchoice_termsofuse.html) , which permits copying and redistribution of the article or any adaptations for non-commercial purposes.
spellingShingle Heijkers, Stijn
Aghaei, Maryam
Bogaerts, Annemie
Plasma-Based CH(4) Conversion into Higher Hydrocarbons and H(2): Modeling to Reveal the Reaction Mechanisms of Different Plasma Sources
title Plasma-Based CH(4) Conversion into Higher Hydrocarbons and H(2): Modeling to Reveal the Reaction Mechanisms of Different Plasma Sources
title_full Plasma-Based CH(4) Conversion into Higher Hydrocarbons and H(2): Modeling to Reveal the Reaction Mechanisms of Different Plasma Sources
title_fullStr Plasma-Based CH(4) Conversion into Higher Hydrocarbons and H(2): Modeling to Reveal the Reaction Mechanisms of Different Plasma Sources
title_full_unstemmed Plasma-Based CH(4) Conversion into Higher Hydrocarbons and H(2): Modeling to Reveal the Reaction Mechanisms of Different Plasma Sources
title_short Plasma-Based CH(4) Conversion into Higher Hydrocarbons and H(2): Modeling to Reveal the Reaction Mechanisms of Different Plasma Sources
title_sort plasma-based ch(4) conversion into higher hydrocarbons and h(2): modeling to reveal the reaction mechanisms of different plasma sources
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7133111/
https://www.ncbi.nlm.nih.gov/pubmed/32273936
http://dx.doi.org/10.1021/acs.jpcc.0c00082
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