This paper presents the results of a numerical study of the kinetics of electrochemical oxidation of different organic substances at boron doped diamond (BDD). It is well established that oxidation of organics at BDD anodes takes place in the potential region of oxygen evolution, through reaction steps in which OH radicals are involved: these radicals can react with organic compounds to give more oxidised substances, or with water to give oxygen. Because of the high reactivity of OH radicals these reactions are confined to a thin film adjacent to the electrode surface. A mathematical model was implemented, which accounts for chemical and electrochemical reactions, as well as for the transport phenomena involved in the process: the parameters of the model were derived from experimental data. The model allowed calculation of the trend with time of reactant concentration, reaction intermediates and oxidisable agents: their space profiles in the reactor were also obtained. The numerical predictions of the model were compared with experimental results obtained from galvanostatic electrolyses of different organic compounds: (a) 2,4,6-trihydroxy-1,3,5 triazine also known as cyanuric acid (CA), which is well known to be refractory to oxidation with OH; (b) atrazine (ATR) the most oxidisable precursor of CA, and (c) phenol which is considered as an OH scavenger because of its high reactivity. The agreement between experimental and model predicted data was good in all the examined conditions.

Kinetics of the electrochemical oxidation of organic compounds at BDD anodes: modelling of surface reactions

MASCIA, MICHELE;VACCA, ANNALISA;PALMAS, SIMONETTA;
2007

Abstract

This paper presents the results of a numerical study of the kinetics of electrochemical oxidation of different organic substances at boron doped diamond (BDD). It is well established that oxidation of organics at BDD anodes takes place in the potential region of oxygen evolution, through reaction steps in which OH radicals are involved: these radicals can react with organic compounds to give more oxidised substances, or with water to give oxygen. Because of the high reactivity of OH radicals these reactions are confined to a thin film adjacent to the electrode surface. A mathematical model was implemented, which accounts for chemical and electrochemical reactions, as well as for the transport phenomena involved in the process: the parameters of the model were derived from experimental data. The model allowed calculation of the trend with time of reactant concentration, reaction intermediates and oxidisable agents: their space profiles in the reactor were also obtained. The numerical predictions of the model were compared with experimental results obtained from galvanostatic electrolyses of different organic compounds: (a) 2,4,6-trihydroxy-1,3,5 triazine also known as cyanuric acid (CA), which is well known to be refractory to oxidation with OH; (b) atrazine (ATR) the most oxidisable precursor of CA, and (c) phenol which is considered as an OH scavenger because of its high reactivity. The agreement between experimental and model predicted data was good in all the examined conditions.
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11584/94469
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