Kinetic model for isopropanol oxidation in supercritical water in hydrothermal flame regime and analysis

Journal of Supercritical Fluids

Volumn 76, Issue , 2013, Pages 41-47

  Queiroz, J P S ^a   Bermejo, M D ^a   Cocero, M J ^a  

^a UNIVERSITY OF VALLADOLID   (Spain)

Author keywords

CFD modeling; Hydrothermal flames; Kinetics; Mathematical modeling; Parameter identification; Supercritical water oxidation

Indexed keywords

ARRHENIUS LAW; CFD MODELING; CORROSION PROBLEMS; EXPERIMENTAL DATUM; FIRST-ORDER RATES; FLAME FORMATION; FLAMELESS; GLOBAL REACTION RATE; HYDROTHERMAL FLAME; INJECTION TEMPERATURE; ISO-PROPANOLS; ISOPROPYL ALCOHOLS; KINETIC DATA; KINETIC MODELS; LEAST SQUARE ERRORS; LOW TEMPERATURES; PARAMETRIC -ANALYSIS; PRE-HEATING SYSTEMS; STEADY STATE; SUPERCRITICAL WATER; SUPERCRITICAL WATER OXIDATION; TEMPERATURE PROFILES;

ENZYME KINETICS; IDENTIFICATION (CONTROL SYSTEMS); KINETIC THEORY; KINETICS; MATHEMATICAL MODELS; REACTION RATES;

OXIDATION;

EID: 84874669219     PISSN: 08968446     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.supflu.2013.01.021     Document Type: Article

References (35)

1. M. Bermejo, and M. Cocero Supercritical water oxidation: a technical review AIChE Journal 52 2006 3933 3951 (Pubitemid 44672160)
2. G. Brunner Near and supercritical water. Part II: oxidative processes Journal of Supercritical Fluids 47 2009 382 390
3. C. Augustine, and J. Tester Hydrothermal flames: from phenomenological experimental demonstrations to quantitative understanding Journal of Supercritical Fluids 47 2009 415 430
4. W. Schilling, and E. Franck Combustion and diffusion flames at high-pressures to 2000 bar Berichte Der Bunsen-Gesellschaft-Physical Chemistry Chemical Physics 92 1988 631 636 (Pubitemid 18626582)
5. C. Oh, R. Kochan, T. Charlton, and A. Bourhis Thermal-hydraulic modeling of supercritical water oxidation of ethanol Energy & Fuels 10 1996 326 332 (Pubitemid 126616633)
6. B. Wellig, M. Weber, K. Lieball, K. Prikopsky, and P. von Rohr Hydrothermal methanol diffusion flame as internal heat source in a SCWO reactor Journal of Supercritical Fluids 49 2009 59 70
7. B. Wellig, K. Lieball, and P. von Rohr Operating characteristics of a transpiring-wall SCWO reactor with a hydrothermal flame as internal heat source Journal of Supercritical Fluids 34 2005 35 50 (Pubitemid 40164888)
8. M. Bermejo, P. Cabeza, M. Bahr, R. Fernandez, V. Rios, C. Jimenez, and M. Cocero Experimental study of hydrothermal flames initiation using different static mixer configurations Journal of Supercritical Fluids 50 2009 240 249
9. M. Bermejo, C. Jimenez, P. Cabeza, A. Matias-Gago, and M. Cocero Experimental study of hydrothermal flames formation using a tubular injector in a refrigerated reaction chamber. Influence of the operational and geometrical parameters Journal of Supercritical Fluids 59 2011 140 148
10. M. Bermejo, P. Cabeza, J. Queiroz, C. Jimenez, and M. Cocero Analysis of the scale up of a transpiring wall reactor with a hydrothermal flame as a heat source for the supercritical water oxidation Journal of Supercritical Fluids 56 2011 21 32
11. C. Narayanan, C. Frouzakis, K. Boulouchos, K. Prkopsk, B. Wellig, and P. Rudolf von Rohr Numerical modelling of a supercritical water oxidation reactor containing a hydrothermal flame Journal of Supercritical Fluids 46 2008 149 155
12. F. Vogel, J. Blanchard, P. Marrone, S. Rice, P. Webley, W. Peters, K. Smith, and J. Tester Critical review of kinetic data for the oxidation of methanol in supercritical water Journal of Supercritical Fluids 34 2005 249 286 (Pubitemid 40584246)
13. R.K. Helling, and J.W. Tester Oxidation of simple compounds and mixtures in supercritical water: carbon monoxide, ammonia and ethanol Environmental Science & Technology 22 1988 1319 1324 (Pubitemid 18268750)
14. L. Li, P. Chen, and E. Gloyna Kinetic-model for wet oxidation of organic-compounds in subcritical and supercritical water Supercritical Fluid Engineering Science - Fundamentals and Applications 514 1993 305 313
15. J. Ploeger, P. Bielenberg, J. Dinaro-Blanchard, R. Lachance, J. Taylor, W. Green, and J. Tester Modeling oxidation and hydrolysis reactions in supercritical water-free radical elementary reaction networks and their applications Combustion Science and Technology 178 2006 363 398 (Pubitemid 43000376)
16. P. Webley, J. Tester, and H. Holgate Oxidation-kinetics of ammonia and ammonia-methanol mixtures in supercritical water in the temperature-range 530-degrees-c 700-degrees-c at 246 bar Industrial & Engineering Chemistry Research 30 1991 1745 1754 (Pubitemid 21679007)
17. T. Hunter, S. Rice, and R. Hanush Raman spectroscopic measurement of oxidation in supercritical water. 2. Conversion of isopropyl alcohol to acetone Industrial & Engineering Chemistry Research 35 1996 3984 3990 (Pubitemid 126475919)
18. S.P. Maharrey, and D.R. Miller A direct sampling mass spectrometer investigation of oxidation mechanisms for acetic acid in supercritical water The Journal of Physical Chemistry A 105 2001 5860 5867
19. S. Rice, T. Hunter, A. Ryden, and R. Hanush Raman spectroscopic measurement of oxidation in supercritical water. 1. Conversion of methanol to formaldehyde Industrial & Engineering Chemistry Research 35 1996 2161 2171 (Pubitemid 126469568)
20. J. Sierra-Pallares, M. Parra-Santos, J. Garcia-Serna, F. Castro, and M. Cocero Numerical analysis of high-pressure fluid jets: application to RTD prediction in supercritical reactors Journal of Supercritical Fluids 49 2009 249 255
21. R. Serikawa Hydrothermal flames in supercritical water oxidation: investigation in a pilot scale continuous reactor Fuel 81 2002 1147 1159 (Pubitemid 34405736)
22. P. Cabeza, M. Bermejo, C. Jimenez, and M. Cocero Experimental study of the supercritical water oxidation of recalcitrant compounds under hydrothermal flames using tubular reactors Water Research 45 2011 2485 2495
23. M. Bermejo, F. Fernandez-Polanco, and M. Cocero Modeling of a transpiring wall reactor for the supercritical water oxidation using simple flow patterns: comparison to experimental results Industrial & Engineering Chemistry Research 44 2005 3835 3845
24. D.-Y. Peng, and D.B. Robinson A new two-constant equation of state Industrial & Engineering Chemistry Fundamentals 15 1976 59 64
25. A. Peneloux, E. Rauzy, and R. Freze A consistent correction for Redlich-Kwong-Soave volumes Fluid Phase Equilibria 8 1982 7 23
26. E.W. Lemmon, M.O. McLinden, and D.G. Friend Thermophysical properties of fluid systems P.J. Linstrom, W.G. Mallard, NIST Chemistry WebBook, NIST Standard Reference Database, 69 2011 National Institute of Standards and Technology Gaithersburg, MD Last access: 06/30/2012.
27. J. Schwartzentruber, H. Renon, and S. Watanasiri Development of a new cubic equation of state for phase equilibrium calculations Fluid Phase Equilibria 52 1989 127 134 (Pubitemid 20652393)
28. K.S. Lieball Numerical Investigations on a Transpiring Wall Reactor for Supercritical Water Oxidation, Doctor of Technical Sciences 2003 Swiss Federal Institute of Technology Zurich Zurich
29. L. Li, P. Chen, and E. Gloyna Generalized kinetic-model for wet oxidation of organic-compounds AIChE Journal 37 1991 1687 1697
30. K. Levenberg A method for the solution of certain problems in least squares The Quarterly of Applied Mathematics 2 1944 164 168
31. D. Marquardt An algorithm for least-squares estimation of nonlinear parameters SIAM Journal on Applied Mathematics 11 1963 431 441
32. ANSYS, ANSYS FLUENT 12.0 Theory Guide, 2009.
33. B.E. Poling, J.M. Prausnitz, and J.P. O'Connell The Properties of Gases and Liquids 5th ed. 2007 McGraw-Hill New York
34. J. Sierra-Pallares, M. Parra-Santos, J. Garcia-Serna, F. Castro, and M. Cocero Numerical modelling of hydrothermal flames. Micromixing effects over turbulent reaction rates Journal of Supercritical Fluids 50 2009 146 154
35. B.E. Launder, and B.I. Sharma Application of the energy-dissipation model of turbulence to the calculation of flow near a spinning disc Letters in Heat and Mass Transfer 1 1974 131 138