Database Overview



Dr. Elke Goos took over Prof. Alexander Burcat´s worldwide known thermochemical database at 16 December 2009 during „The 24th Annual Symposium of the Israeli Section of the Combustion Institute“ in Tel-Aviv, Israel and will continue his work.

Thermochemical, spectroscopic, and other chemical and physical properties for more than 2500 substances in the gaseous, liquid or solid state are available in „Extended Third Millennium Ideal Gas and Condensed Phase Thermochemical Database for Combustion with Updates from Active Thermochemical Tables” of Elke Goos, Alexander Burcat and Branko Ruscic.

Mainly spectroscopic and thermochemical properties are evaluated by these 3 scientists. The data is self consistent and most results are published in international journals, too.

Available evaluated values are for example
UV-, VIS, IR-, and Raman- spectra, Vibration frequencies, Rotational constants, Moments of Inertia, Standard enthalpy of formation at 0 K, and at 298 K, temperature dependent calculations of enthalpies, entropies, heat capacities from 200 K up to 6000 K at constant pressure and constant volume

Thermochemical properties will be provided in so called 7- and 9-term polynomial NASA format for easy use in modelling and CFD programs.

The Active Thermochemical Tables results are available at http://atct.anl.gov/.

It is strictly forbidden to include this database as it is or parts of it in any commercial database, software, firmware or hardware and any other type of commercial use without written permission from the authors. For commercial use and non combustion relevant substances please contact Dr. Elke Goos.

Available properties were delivered by email, free of charge for academic usage only, after request to Dr. Elke Goos, on condition that proper quotation will be included in pertinent publications.

Cite as

Elke Goos, Alexander Burcat and Branko Ruscic, Extended Third Millennium Ideal Gas and Condensed Phase Thermochemical Database for Combustion with updates from Active Thermochemical Tables, received from Elke Goos, date.

Disclaimer

Neither the Deutsches Zentrum für Luft- und Raumfahrt e.V., nor Technion - Israel Institute of Technology, nor United States Government nor any agency thereof, nor Argonne National Laboratory, nor The University of Chicago, nor any of their employees or officers, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise, does not necessarily constitute or imply its endorsement, recommendation, or favouring by the United States Government or any agency thereof. The views and opinions of database authors expressed therein do not necessarily state or reflect those of the Deutsches Zentrum für Luft- und Raumfahrt e.V., nor Technion - Israel Institute of Technology, nor United States Government nor any agency thereof, nor Argonne National Laboratory, nor The University of Chicago. Parts of the work to produce published data were sponsored by an agency of the United States Government.

- thermodatapolynom

Copyright of Database Content: Dr. Elke Goos, Prof. Alexander Burcat, Dr. Branko Ruscic.


Contact
Dr. rer. nat. Elke Goos
German Aerospace Center

Institute of Combustion Technology
, Chemical Kinetics
Tel: +49 711 6862-338

Fax: +49 711 6862-578

E-Mail: Elke.Goos@dlr.de
URL for this article
http://www.dlr.de/vt/en/desktopdefault.aspx/tabid-7603/12862_read-32379/