Navegando por Autor "Nascimento, Claudio Augusto Oller"
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Artigo Electrosynthesis via plasma electrochemistry: generalist dynamical model to explain hydrogen production induced by a discharge over water(ACS Publications, 2019) Chiavone Filho, Osvaldo; Lima, Andressa Mota; Nascimento, Jailton Ferreira do; Nascimento, Claudio Augusto OllerElectrosynthesis 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