Electrosynthesis via plasma electrochemistry: generalist dynamical model to explain hydrogen production induced by a discharge over water

Electrosynthesis via electrochemical plasma, a discharge over the surface of liquid water (or plasma cathode), may offer an unprecedented route of synthesis for chemicals and (wind) solar fuels. Describing the physical chemical events underneath plasma/liquid interface (PLI) on a theoretical basis i...

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Principais autores: Chiavone Filho, Osvaldo, Lima, Andressa Mota, Nascimento, Jailton Ferreira do, Nascimento, Claudio Augusto Oller
Formato: article
Idioma:English
Publicado em: ACS Publications
Assuntos:
Plasma Electrochemistry
Model To Explain
over Water
Electrosynthesis
Endereço do item:https://repositorio.ufrn.br/handle/123456789/44947
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spelling ri-123456789-449472021-11-18T18:47:58Z Electrosynthesis via plasma electrochemistry: generalist dynamical model to explain hydrogen production induced by a discharge over water Chiavone Filho, Osvaldo Lima, Andressa Mota Nascimento, Jailton Ferreira do Nascimento, Claudio Augusto Oller Plasma Electrochemistry Model To Explain over Water Electrosynthesis Electrosynthesis via electrochemical plasma, a discharge over the surface of liquid water (or plasma cathode), may offer an unprecedented route of synthesis for chemicals and (wind) solar fuels. Describing the physical chemical events underneath plasma/liquid interface (PLI) on a theoretical basis is crucial for enabling a rational designing of chemical synthesis. To address this problem, this work proposes a generalist dynamical model for the nanoreactor, a fraction of nanoliters localized beneath the PLI that features substantially high concentration of hydrated electrons (eaq−), and it screens chemical reaction networks (CRN) related to the synthesis of hydrogen, a model electrosynthesis process. The computational results elucidate two major routes for hydrogen production: (a) in very alkaline media, the water reduction via self-recombination of eaq− [2eaq− + 2H2O → H2 + 2OH−] consumes the majority of eaq−, whereas (b) in very acid media, eaq− is majorly scavenger by the ion Haq+, generating an abnormally high concentration of the radical H•, a precursor for gaseous hydrogen. Additionally, two scenarios are disadvantageous for synthesizing H2. Side reactions with aqueous oxygen and aqueous radical • OH leads to substantial production of O2 − and OH−, respectively. Without loss of generality, the dynamical model proposed in this work is a powerful theoretical frame for understanding and predicting a variety of plasma-induced CRNs, assisting to advance the emerging field of plasma electrochemistry 2021-11-18T18:47:56Z 2021-11-18T18:47:56Z 2019 article MOTA-LIMA, Andressa; NASCIMENTO, Jailton Ferreira do; CHIAVONE-FILHO, Osvaldo; NASCIMENTO, Claudio Augusto Oller. Electrosynthesis via Plasma Electrochemistry: generalist dynamical model to explain hydrogen production induced by a discharge over water. The Journal Of Physical Chemistry C, [S.L.], v. 123, n. 36, p. 21896-21912, 12 ago. 2019. American Chemical Society (ACS). Disponível em: https://pubs.acs.org/doi/10.1021/acs.jpcc.9b04777. Acesso em: 21 jun. 2021. https://doi.org/10.1021/acs.jpcc.9b04777. 1932-7447 1932-7455 https://repositorio.ufrn.br/handle/123456789/44947 10.1021/acs.jpcc.9b04777 en Attribution-NonCommercial-NoDerivs 3.0 Brazil http://creativecommons.org/licenses/by-nc-nd/3.0/br/ application/pdf ACS Publications
institution Repositório Institucional
collection RI - UFRN
language English
topic Plasma Electrochemistry
Model To Explain
over Water
Electrosynthesis
spellingShingle Plasma Electrochemistry
Model To Explain
over Water
Electrosynthesis
Chiavone Filho, Osvaldo
Lima, Andressa Mota
Nascimento, Jailton Ferreira do
Nascimento, Claudio Augusto Oller
Electrosynthesis via plasma electrochemistry: generalist dynamical model to explain hydrogen production induced by a discharge over water
description Electrosynthesis via electrochemical plasma, a discharge over the surface of liquid water (or plasma cathode), may offer an unprecedented route of synthesis for chemicals and (wind) solar fuels. Describing the physical chemical events underneath plasma/liquid interface (PLI) on a theoretical basis is crucial for enabling a rational designing of chemical synthesis. To address this problem, this work proposes a generalist dynamical model for the nanoreactor, a fraction of nanoliters localized beneath the PLI that features substantially high concentration of hydrated electrons (eaq−), and it screens chemical reaction networks (CRN) related to the synthesis of hydrogen, a model electrosynthesis process. The computational results elucidate two major routes for hydrogen production: (a) in very alkaline media, the water reduction via self-recombination of eaq− [2eaq− + 2H2O → H2 + 2OH−] consumes the majority of eaq−, whereas (b) in very acid media, eaq− is majorly scavenger by the ion Haq+, generating an abnormally high concentration of the radical H•, a precursor for gaseous hydrogen. Additionally, two scenarios are disadvantageous for synthesizing H2. Side reactions with aqueous oxygen and aqueous radical • OH leads to substantial production of O2 − and OH−, respectively. Without loss of generality, the dynamical model proposed in this work is a powerful theoretical frame for understanding and predicting a variety of plasma-induced CRNs, assisting to advance the emerging field of plasma electrochemistry
format article
author Chiavone Filho, Osvaldo
Lima, Andressa Mota
Nascimento, Jailton Ferreira do
Nascimento, Claudio Augusto Oller
author_facet Chiavone Filho, Osvaldo
Lima, Andressa Mota
Nascimento, Jailton Ferreira do
Nascimento, Claudio Augusto Oller
author_sort Chiavone Filho, Osvaldo
title Electrosynthesis via plasma electrochemistry: generalist dynamical model to explain hydrogen production induced by a discharge over water
title_short Electrosynthesis via plasma electrochemistry: generalist dynamical model to explain hydrogen production induced by a discharge over water
title_full Electrosynthesis via plasma electrochemistry: generalist dynamical model to explain hydrogen production induced by a discharge over water
title_fullStr Electrosynthesis via plasma electrochemistry: generalist dynamical model to explain hydrogen production induced by a discharge over water
title_full_unstemmed Electrosynthesis via plasma electrochemistry: generalist dynamical model to explain hydrogen production induced by a discharge over water
title_sort electrosynthesis via plasma electrochemistry: generalist dynamical model to explain hydrogen production induced by a discharge over water
publisher ACS Publications
publishDate 2021
url https://repositorio.ufrn.br/handle/123456789/44947
work_keys_str_mv AT chiavonefilhoosvaldo electrosynthesisviaplasmaelectrochemistrygeneralistdynamicalmodeltoexplainhydrogenproductioninducedbyadischargeoverwater
AT limaandressamota electrosynthesisviaplasmaelectrochemistrygeneralistdynamicalmodeltoexplainhydrogenproductioninducedbyadischargeoverwater
AT nascimentojailtonferreirado electrosynthesisviaplasmaelectrochemistrygeneralistdynamicalmodeltoexplainhydrogenproductioninducedbyadischargeoverwater
AT nascimentoclaudioaugustooller electrosynthesisviaplasmaelectrochemistrygeneralistdynamicalmodeltoexplainhydrogenproductioninducedbyadischargeoverwater
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