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Gasphase
Equilibrium calculator

Please try out our program for calculating the gas phase equilibrium state.
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VBT-Kolloquium

Programm des "Kolloquium Verbrennungstechnik" für das WS-2019/20 ist verfügbar.
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Contact

Engler-Bunte-Ring 7
76131 Karlsruhe 

Building number 40.13.I 

Tel: +49(0)721 608-42571
Fax: +49(0)721 608-47770

E-Mail: Secretariat

Bachelor- and Masterthesis

Current proposals for topics of bachelor- and master thesis you find on the following page.
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Publication list

2019   2018   2017   2016   2015   2014   2013   2012   2011   2010   2009   2008   2007   2006   2005   2004   2003   2002   2001   2000   1999   1998   1997  




2019

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  • Fedoryk, M.; Zhang, F.; Heidarifatasmi, H.; Zirwes, T.; Sebbar, N.; Harth, S.; Trimis, D.; Poster: Entwicklung von Schwefelbrennern mit hohen Leistungsdichten. Jahrestreffen der ProcessNet Fachgruppe Hochtemperaturtechnik, 2.-3. April, P5, 2019.

  • N. Sebbar; J.W. Bozzelli; H. Bockhorn; D. Trimis, (2019). A thermochemical study on the primary oxidation of sulfur. Combust. Sci. Technol., 191, (1), (doi:10.1080/00102202.2018.1455134)

  • Sebbar, N.; Harth, S.; Fedoryk, M.; Heidarifatasmi, H.; Zhang, F.; Bozzelli, J. W.; Bockhorn, H.; Trimis, D.; (2019). Vortrag: Sulfur combustion as closing step in a sulfur based solar-thermal cycle. COST Action SMARTCATS – 1st international conference on smart energy carriers, January 21-23, Napoli, Italy, invited lecture.

  • Sebbar, N.; Bockhorn, H.; Trimis, D., (2019). Pyrene + O2: primary reactions, reaction pathways, and influence of functional groups, in Proceedings of the European Combustion Meeting – 2019, April 14-17, Lisboa, Portugal, p. S1_AII_11, .

  • Sebbar, N.; Bozzelli, J. W.; Bockhorn, H.; Trimis, D., (2019). Thermochemical study for species and reactions occurring in the S-N-O system, in Proceedings of the European Combustion Meeting – 2019, April 14-17, Lisboa, Portugal, p. S1_AII_10, .

  • Sebbar, N.; Bozzelli, J. W.; Trimis, D.; Bockhorn, H., (2019). Thermochemistry and kinetics of the 2‐butanone‐4‐yl CH3C(=O)CH2CH2• O2 reaction system. Int. J. Chem. Kinet., 51, (8), 541-562.(doi:10.1002/kin.21276)

  • Sebbar, N.; Bozzelli, J. W.; Bockhorn, H.; Trimis D., (2019). A Thermochemical Study of Reactions Occuring in the S-N-O System, in Proceeding of the Eleventh Mediterranean Combustion Symposium - MCS11, June, 16-20, Tenerife, Spain, .

  • Vin, Nicolas; Battin-Leclerc, Frédérique; Le Gall, Hervé; Sebbar, Nadia; Bockhorn, Henning; Trimis, Dimosthenis; Herbinet, Olivier, (2019). A study of chlorobenzene pyrolysis. Proceedings of the Combustion Institute, 37, (1), 399-407.(doi:10.1016/j.proci.2018.05.067)

  • Zhang, F.; Heidarifatasmi, H.; Zirwes, T.; Fedoryk, M.; Harth, S.; Sebbar, N.; Habisreuther, P.; Trimis, D.; Bockhorn, H., (2019). Numerical simulation of sulfur combustors with high-power-density, in Proceedings of the European Combustion Meeting – 2019, April 14-17, Lisboa, Portugal, p. S2_AIII_57, .

  • Zhang, Feichi; Hosein, Heidarifatasmi; Harth, Stefan; Zirwes, Thorsten; Sebbar, Nadia; Fedoryk, Michal; Habisreuther, Peter; Trimis, Dimosthenis; Bockhorn, Henning, (2019). Numerical Investigation of a Sulfur Combustor, in 29. Deutscher Flammentag, Deutsche Sektion des Combustion Institutes und DVV/VDI-Gesellschaft Energie und Umwelt, September, 17-18, Bochum., .

  • Zirwes, T.; Sebbar, N.; Habisreuther, P.; Harth, S.; Zhang, F.; Bockhorn, H.; Trimis, D., (2019). Ignition Behaviour of Sulfur in Air Based on Modified Reaction Kinetics, in Proceeding of the Eleventh Mediterranean Combustion Symposium - MCS11, June, 16-20, Tenerife, Spain, .

2018

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  • Sebbar, N.; Zirwes, T.; Habisreuther, P.; Bockhorn, H.; Trimis, D., (2018). Investigation of S2 + Air Combustion, in Proceedings of Joint Meeting of the German and Italian Sections of the Combustion Institute, Sorrento, Italy, 23-26 May, p. VI10, (ISBN 978-88-88104-22-5), .

  • Sebbar, N.; Zirwes, T.; Habisreuther, T.; Bozzelli, J. W.; Bockhorn, H.; Trimis, D., (2018). S2 Air Combustion: Reaction Kinetics, Flame Structure and Laminar Flame Behavior. Energy Fuels, 32, (10), 10184-10193.(doi:10.1021/acs.energyfuels.8b01019)

2017

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  • Sebbar, N.; Bozzelli, J. W.; Bockhorn, H.; Trimis, D., (2017). A DFT and ab-initio study on the primary oxidation mechanism of S2, in Proceedings of the European Combustion Meeting – 2017, April 18-21, Dubrovnik, Croatia, p. ECM2017.0373, .

  • N. Sebbar; J.W. Bozzelli; H. Bockhorn and D. Trimis, (2017). A thermochemical study on the primary oxidation of sulfur, in Proceeding of the Thenth Mediterranean Combustion Symposium - MCS10,, Flegrea Area, Napoli, Italy, September 17-21, .

2016

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  • Sebbar, N.; Appel, J.; Bockhorn, H.; Poster: Rate Constants Study for Primary Reactions of Acetic Acid Decomposition to Ketene Formation Catalyzed with P2O3/P2O5. 36th International Symposium on Combustion, COEX, Seoul, Korea, July 31.-August 5., 2016.

  • Sebbar, N.; Appel, J.; Bockhorn, H., (2016). Ketene formation through Interaction Reactions during P2O3/P2O5/CH3C(=O)OH Pyrolysis. Combust. Sci. Technol., 188, (4-5), 745-758.(doi:10.1080/00102202.2016.1139376)

  • Sebbar, Nadia; Habisreuther, Peter; Bockhorn, Henning; Auzmendi-Murua, Itsaso; Bozzelli, Joseph, (2016). Di-Tertiary-Butyl Peroxide Decomposition and Combustion with Air: Reaction Mechanism, Ignition, Flame Structures, Laminar Flame Velocities. Energy & Fuels, 31, (3), 2260-2273.(doi:10.1021/acs.energyfuels.6b02201)

2015

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  • N. Sebbar; J. W. Bozzelli; H. Bockhorn, (2015). Kinetic Study of Di-Tert-Butyl Peroxide: Thermal Decomposition and Product Reaction Pathways. Int J Chem Kinet, 47, (3), 133-161.(doi:10.1002/kin.20899)

2014

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  • Sebbar, N. and Bozzelli, J.W. and Bockhorn, H., (2014). Thermochemistry and kinetics for 2-butanone-1-yl radical (CH 2·C(. Journal of Physical Chemistry A, 118, (1), 21-37.

2013

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  • Nadia Sebbar; Henning Bockhorn; Jörg Appel, (2013). Kinetics Development for the P2O3/P2O5 -catalyzed Pyrolysis of Acetic Acid to Ketene Formation, in Proceedings of the European Combustion Meeting – 2013, June 25-28, 2013, Lund, Sweden, p. Paper P5-6, (ISBN 978-91-637-2151-9), .

  • F. Zhang; N. Sebbar; I. Auzmendi-Murua; P. Habisreuther; L. Zhang; H. Bockhorn; Large Eddy Simulation of DTBP Pool Fires. In Wissenschaftliche Beiträge des KIT zur 2. Jahrestagung des KIT-Zentrums Energie, Doktorandensymposium, Breh, Wolfgang; Sauer, Dominique (ed.), KIT Scientific Publishing, 13.06.2013, p. 103-108, (doi:10.5445/KSP/1000036425) 2013.

2012

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  • Nadia Sebbar, Leonhard Rutz, Thomas Finke, and Henning Bockhorn, (2012). Numerical Study of the Zirconium Oxide System. Soft Materials, 10(1–3), 344–368.

  • Nadia Sebbar, Leonhard Rutz and Henning Bockhorn, (2012). Thermochemical Properties for Hydrogenated and Oxy-hydrogenated Aluminium Species. Soft Materials, 10(1–3), 313–343.

  • Nadia Sebbar, Leonhard Rutz, and Henning Bockhorn, (2012). Prediction of Thermodynamic and Kinetics Parameters for Interfacial Reactions of the SiO2 System by Quantum Chemistry Methods. Soft Materials, 10(1–3), 285–312.

2011

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  • Nadia Sebbar, Joseph W. Bozzelli, and Henning Bockhorn , (2011). Thermochemistry and Reaction Paths in the Oxidation Reaction of Benzoyl Radical: C6H5C•(=O). J. Phys. Chem. A, 115, 11897–11914.

  • Nadia Sebbar, Joseph William Bozzelli, Henning Bockhorn, (2011). Thermochemistry and Kinetics for 2-Butanone-3yl Radical (CH3C(=O)CH•CH3) Reactions with O2. Z. Phys. Chem., 225, 993–1018.

  • Nadia Sebbar, Joseph W. Bozzelli, Henning Bockhorn; (2011). Vortrag: A Kinetic Study of the C6H5C•(=O) O2 Reaction. The 7th International Conference on Chemical Kinetics, Cambridge, MA USA, July 10 - 14 ,

  • Sebbar, N.; Bockhorn, H., Bozzelli, J. W., (2011). Thermochemistry and Kinetics for 2-Butanone-3yl Radical (CH3C(=O)CH•CH3) Reactions with O2, Fifth European Combustion Meeting 2011, Cardiff, England, 28 June -1st July, .

  • Sebbar, N.; Bozzelli, J. W.; Bockhorn, H., (2011). Reactivity, Thermochemistry and kinetics of 2-Butanone Radicals: CH2•C(=O)CHCH3, CH3C(=O)CH•CH3 and CH3C(=O)CH2CH2•, Seventh Mediterranean Combustion Symposium – MCS7, Chia Laguna, Cagliari, Sardinia, Italy, September 11-15, .

2010

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  • Nadia Sebbar, Joseph W. Bozzelli, Henning Bockhorn; Poster: The oxidation reaction of C6H5C•(=O) O2 Radical . The 21th International Symposium on Gas Kinetics, Leuven Belgium, July 18-23, 2010.

2009

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  • T. Finke, U. Eisele, N. Sebbar, L. Rutz, H. Bockhorn,, (2009). Surface Chemical Characterization of Ceramic Material – Adsorption and Thermal Desorption of Ethanol on nano-ZrO2. Ceramic Forum International, cfi/Ber. DKG 86, 13, 7-12.

  • Sebbar, N.; Bozzelli, J. W.; Bockhorn, H., (2009). The oxidation reaction of C6H5C•(=O) radical , Sixth Mediterranean Combustion Symposium – MCS6, Ajaccio ,Corsica, France, June 7-11, .

2008

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  • Nadia Sebbar; Henning Bockhorn; Bozzelli, J. W.; (2008). Vortrag: The Oxidation of Dibenzofuranyl: Thermodynamic Properties and Reaction Pathways. 20th International Conference on Chemical Thermodynamics, Warsaw, Poland, August 3-8,

  • Sebbar, N.; Bockhorn, H.; Bozzelli, J. W., (2008). Thermodynamic Properties of the Species Resulting from the Phenyl Radical with O2 Reaction System. Int. J. Chem Kinet, 40, 583–604.

  • Sebbar, N.; Bockhorn, H.; Bozzelli, J. W., (2008). Thermochemical similarities among three reaction systems:Vinyl O2 – Phenyl O2 – Dibenzofuranyl O2. Combust. Sci. and Tech., 180, 959–974.

2007

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  • Bozzelli, J. W.; da Silva, G.; Chen, C-C.; Sun, H.; Sebbar, N.; Bockhorn, H. ; (2007). Vortrag: Thermochemical and Kinetic Analysis: Oxidation of Aromatics - Benzene, Toluene, Xylene. Informal kinetics and dynamics conference Albany, NY , Jan 26 ,

  • Nadia Sebbar and Henning Bockhorn; (2007). Vortrag: An Elementary Mechanism for the Oxidative Degradation of Dibenzofuran. Tenth International Congress on Toxic Combustion By-Products, Ischia, Italy, June 17 – 20,

  • Nadia Sebbar; Henning Bockhorn; Joseph W. Bozzelli; Poster: Development of an extensive Thermochemical Database on unsaturated oxygenated hydrocarbon species. The 10th International Congress on Combustion by-Products: Origin, Fate and Health Impacts, Ischia, Italy, June 17-20, 2007.

  • Sebbar, N.; Bockhorn, H., Bozzelli, J. W. , (2007). The Phenyl O2 Reaction: Thermodynamics and kinetics, Third European Combustion Meeting 2007, Chania, Crete, 11-13 April , .

  • Sebbar, N.; Bockhorn, H.; Bozzelli, J. W. ; (2007). Vortrag: Numerical Investigation of the Dibenzofuranyl O2 Reaction System: Thermodynamics, Kinetics, and Reaction Paths. Fachtagung AEM 2007 Gemeinsame Sitzung der ProcessNet-Arbeitsausschüsse „Adsorption“ und „Extraktion" und des Arbeitskreises „Molekulare Modellierung und Simulation für Prozess- und Produktdesign" Germany, 21-23 march,

  • Sebbar, N.; Bozzelli, J. W.; Bockhorn, H., (2007). Thermochemical similarities among three reaction systems: Vinyl O2 – Phenyl O2 – Dibenzofuranyl O2, Fifth Mediterranean Combustion Symposium – MCS5, September 9-13, Monastir, Tunisia, .

2006

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  • Nadia Sebbar, (2006), Thermochemistry and kinetics for the Oxidative Degradation of Dibenzofuran and Precursors, .

  • daSilva, G.; Bozzelli, J. W.; Sebbar, N.; Bockhorn, H. , (2006). Thermodynamic and Ab Initio Analysis of the Controversial Enthalpy of Formation of Formaldehyde. ChemPhysChem, 7, 1119 – 1126.

  • daSilva, G.; Bozzelli, J. W.; Sebbar, N.; Bockhorn, H. , (2006). Thermodynamic and Ab Initio Analysis of the Controversial Enthalpy of Formation of Formaldehyde. ChemPhysChem, 7, 1119 – 1126.

2005

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  • Nadia Sebbar, Joseph W. Bozzelli, Henning Bockhorn, (2005). Enthalpy of formation and bond energies on unsaturated oxygenated hydrocarbons using G3MP2B3 calculation methods. International Journal of Chemical Kinetics, 37, (10), 633-648.

  • Sebbar, N.; Bockhorn, H.; Bozzelli, J. W., (2005). Thermochemical Properties, Rotation Barriers, and Group Additivity for Unsaturated Oxygenated Hydrocarbons and Radicals Resulting from Reaction of Vinyl and Phenyl Radical Systems with O2. J. Phys. Chem. A., 109, (10), 2233-2253.

2004

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  • Sebbar, N.; Bozzelli, J. W.; Bockhorn, H., (2004). Structures, Thermochemical Properties (Enthalpy, Entropy and Heat Capacity), Rotation Barriers, Bond Energies of Vinyl, Allyl, Ethynyl and Phenyl peroxides. J. Phys. Chem. A., 108(40), (40), 8353-8366.

2003

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  • Nadia Sebbar; Joseph W. Bozzelli; Henning Bockhorn, (2003). Reaction of Dibenzofuran radical with O2, in Proceeding of the European Combustion Meeting 2003, Orléans, France, .

  • Nadia Sebbar, Henning Bockhorn, Joseph W. Bozzelli, (2003). Thermodynamic properties (S298, Cp(T), internal rotations and group additivity parameters) in vinyl and phenyl hydroperoxides. Phys. Chem. Chem. Phys., 5, 300-307.

  • Nadia Sebbar; Joseph W. Bozzelli; Henning Bockhorn; Poster: Reaction of Dibenzofuran radical with O2: Thermodynamic Properties, Reaction Pathways and Kinetics. The 8th International Congress on Combustion by-Products: Origin, Fate and Health Impacts, Umeå, Sweden, June 17-19, 2003.

2002

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  • Nadia Sebbar, Henning Bockhorn, Joseph W. Bozzelli, (2002). Structures, thermochemical properties (enthalpy, entropy and heat capacity), rotation barriers, and peroxide bond energies of vinyl, allyl, ethynyl and phenyl hydroperoxides. Phys. Chem. Chem. Phys., 15, 3691-3703.

  • Nadia Sebbar; Chiung-ju Chen; Joseph W. Bozzelli; Henning Bockhorn; Poster: Reaction of Phenyl Radical with O2: Thermodynamic Properties, Reaction Pathways and Kinetics. 17th International Symposium on Gas Kinetics, Essen, Germany, August 24-29, 2002.

  • Nadia Sebbar, Henning Bockhorn and Joseph W. Bozzelli; (2002). Vortrag: Reaction of Phenyl Radical and Dibenzofuran with O2. Joint Meeting of the Belgian and Dutch Sections of the Combustion Institute, Brussels Belgium, 24 - 25 April,

2001

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  • Bozzelli, J. W.; Sebbar, N.; Pitz, W.; Bockhorn, H., The 2nd Joint Meeting of the US Sections of the Combustions Institute, Oakland, California, March 25-28, (2001). Reaction of Phenyl Radical with O2: Thermodynamic Properties, Important Reaction Paths and Kinetics, The 2nd Joint Meeting of the US Sections of the Combustions Institute , Oakland, California, March 25-28, .

  • Bozzelli, J. W.; Sebbar, N.; Pitz, W.; Bockhorn, H., (2001). Reaction of Phenyl Radical with O2: Thermodynamic Properties, Important Reaction Paths and Kinetics, The 2nd Joint Meeting of the US Sections of the Combustions Institute, Oakland, California, March 25-28, .

  • Joseph Bozzelli, Nadia Sebbar, William Pitz and Henning Bockhorn; (2001). Vortrag: Reaction of Phenyl Radical with O2: Thermodynamic Properties, Important Reaction Paths and Kinetics. The 2nd Joint Meeting of the US Sections of the Combustions Institute, Oakland, California, USA, March 25-28,

  • Nadia Sebbar; Henning Bockhorn; Joseph W. Bozzelli; Poster: Thermodynamic properties (Enthalpies, Entropies and Heat Capacities) and Reactions of Vinyl hydroperoxides, peroxy radicals and phenyl hydroperoxides I. Seventh International Congress on Toxic Combustion By-Products. Research Triangle Park, North Carolina USA, June 4 – 6, 2001.

  • Nadia Sebbar; Henning Bockhorn; Joseph W. Bozzelli; Poster: Thermodynamic properties (Enthalpies, Entropies and Heat Capacities) and Reactions of Vinyl hydroperoxides, peroxy radicals and phenyl hydroperoxides II. 5th International Conference on Chemical Kinetics. National Institute of standards and Technologies, Gaithersburg, MD USA , 16 – 20 July, 2001.

  • Nadia Sebbar; Joseph W. Bozzelli; Henning Bockhorn; Poster: Thermodynamic properties and reactions of vinyl hydroperoxides and phenyl hydroperoxides. Deutsche Bunsen-Gesellschaft für Physikalische Chemie. 77th International Discussion Meeting „Formation and Degradation of Hydrocarbons in High-Temperature Reactions. Germany, October, 2001.

  • Nadia Sebbar; Joseph W. Bozzelli; Henning Bockhorn; Poster: Reaction of Phenyl Radical and Dibenzofuran with O2: Thermodynamic Properties, Reactions Pathways, Kinetics and Initial Steps for Dibenzofuran. Deutsche Bunsen-Gesellschaft für Physikalische Chemie. 77th International Discussion Meeting „Formation and Degradation of Hydrocarbons in High-Temperature Reactions, october, 2001.

  • Nadia Sebbar; Henning Bockhorn; Joseph W. Bozzelli; (2001). Vortrag: Reaction of Phenyl Radical and Dibenzofuran with O2: Thermodynamic Properties, Reaction Pathways, Kinetics and Initial Steps for Dibenzofuran Oxidation. Seventh International Congress on Toxic Combustion By-Products. Research Triangle Park, North Carolina USA, June 4 – 6,

2000

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  • Nadia Sebbar; Henning Bockhorn; Joseph W. Bozzelli; Poster: Reaction of Phenyl and Dibenzofuran Radicals with O2: Thermodynamic Properties, Reaction Pathways and kinetics. The combustion Institute, 28th International Symposium on Combustion Edinburgh, Scotland, 30 July – 4 August, 2000.

1999

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  • Nadia Sebbar, Jörg Appel and Henning Bockhorn; Poster: Atomized Validation of a Detailed Mechanism for the Description of Dioxins Formation and other by products I. The Combustion Institute, Joint Meeting of the British German and French Sections, Nancy – France, 18 – 21 May, 1999.

  • Nadia Sebbar, Jörg Appel and Henning Bockhorn; Poster: Atomized Validation of a Detailed Mechanism for the Description of Dioxins Formation and other by products II. The Sixth International Congress on Toxic Combustion By products, University of Karlsruhe, Germany, June 27 – 30, 1999.

1998

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  • P. Bonni, L. Rutz, N. Sebbar, H. Bockhorn, (1998). Numerical and Experimental Investigation of Pyrolysis and Oxidation of Dioxin Precursors and Other Toxic Byproducts, in Twenty-Seventh Symposium (International) on Combustion, Abstracts of Work in Progress Posters, The Combustion Institute, Pittsburgh, p. 281, .

1997

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  • M. Kraft; H. Fey; C. Procaccini; K.A. Smith; J.P. Longwell; A.F. Sarofim; P. Bonni; L. Rutz; N. Sebbar; H. Bockhorn; Experimental and Numerical Investigation of the Degradation of Chlorinated Hydrocarbons in Incineration Systems. In VDI-Berichte 1313, VDI-Verlag, Düsseldorf, p. 163, 1997.