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1611224 
Journal Article 
Kinetic model for isopropanol oxidation in supercritical water in hydrothermal flame regime and analysis 
Queiroz, JPS; Bermejo, MD; Cocero, MJ 
2013 
Yes 
Journal of Supercritical Fluids
ISSN: 0896-8446 
76 
41-47 
WOS:000317378500006 
Supercritical water oxidation (SCWO) in hydrothermal flame
regime has advantages over the oxidation in flameless regime. The main advantage is that the feed
can be injected into the reactor at low temperatures, avoiding plugging and corrosion problems in
a preheating system. However, there is a lack of kinetic data capable of properly describing the
flame regime oxidation. In this study, new global reaction rate parameters for the oxidation of
isopropyl alcohol in hydrothermal regime were adjusted from temperature profiles of our group's
previous experimental data. The kinetics obey first order rate with regard to the fuel and the
oxidant, and follows the Arrhenius law. The parameters are k(0) = (9.308 +/- 3.989) x 10(7) (m(3)
s(-1) kmol(-1)) and E-a = 89.441 +/- 2.457 (kJ mol(-1)), and the least square error of the
fitting was 10.8%. This kinetic model was applied in a parametric analysis of flame formation,
and it was used to analyze the behavior of a supercritical water oxidation vessel reactors. The
kinetic model is able to describe the behavior of the vessel reactor when working in steady state
hydrothermal flame regime at subcritical injection temperatures (246 degrees C). The model
predicts both flameless and hydrothermal flame regimes. (C) 2013 Elsevier B.V. All rights
reserved. 
Kinetics; Parameter identification; Hydrothermal flames; CFD modeling; Supercritical water oxidation; Mathematical modeling