title: Thermodynamic and kinetic study of phenol degradation by a non-catalytic wet air oxidation process.
abstract: This work is dedicated to an accurate evaluation of thermodynamic and kinetics aspects of phenol degradation using wet air oxidation process. Phenol is a well known polluting molecule and therefore it is important having data of its behaviour during this process. A view cell is used for the experimental study, with an internal volume of 150 mL, able to reach pressures up to 30 MPa and temperatures up to 350°C. Concerning the thermodynamic phase equilibria, experimental and modelling results are obtained for different binary systems (water/nitrogen, water/air) and ternary system (water/nitrogen/phenol). The best model is the Predictive Soave Redlich Kwong one. This information is necessary to predict the composition of the gas phase during the process. It is also important for an implementation in a process simulation. The second part is dedicated to kinetics evaluation of the degradation of phenol. Different compounds have been detected using GC coupled with a MS. A kinetic scheme is deduced, taking into account the evolution of phenol, hydroquinones, catechol, resorcinol and acetic acid. The kinetic parameters are calculated for this scheme. These data are important to evaluate the evolution of the concentration of the different polluting molecules during the process. A simplified kinetic scheme, which can be easily implemented in a process simulation, is also determined for the direct degradation of phenol into H(2)O and CO(2). The Arrhenius law data obtained for the phenol disappearance are the following: k=1.8×10(6)±3.9×10(5)M(-1)s(-1) (pre-exponential factor) and E(a)=77±8 kJ mol(-1) (activation energy).
authors.affiliation: Aix Marseille Université - CNRS (UMR 6181), Laboratoire Mécanique, Modélisation et Procédés Propres, Europôle de l'Arbois, BP 80, 13545 Aix en Provence Cedex 4, France.
authors.forename: Sébastien
authors.initials: S
authors.lastname: Lefèvre
authors.forename: Olivier
authors.initials: O
authors.lastname: Boutin
authors.forename: Jean-Henry
authors.initials: JH
authors.lastname: Ferrasse
authors.forename: Laure
authors.initials: L
authors.lastname: Malleret
authors.forename: Rémy
authors.initials: R
authors.lastname: Faucherand
authors.forename: Alain
authors.initials: A
authors.lastname: Viand
mesh_terms: D000388:Air; D002384:Catalysis; D004785:Environmental Pollutants / Q000737:chemistry* / Q000302:isolation & purification; D007700:Kinetics; D008956:Models, Chemical; D010084:Oxidation-Reduction; D019800:Phenol / Q000737:chemistry* / Q000302:isolation & purification; D013816:Thermodynamics
chemical_list: D004785:Environmental Pollutants; D019800:Phenol