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Issue 49 December 12, 2005<br />

<strong>In</strong> <strong>this</strong> <strong>issue</strong><br />

• Season’s <strong>greetings</strong> <strong>from</strong> <strong>GTT</strong>-<strong>Technologies</strong><br />

• <strong>Summary</strong> <strong>of</strong> the recent workshop activities <strong>of</strong> <strong>GTT</strong> and RCCM in Japan<br />

• Upcoming events in 2006<br />

• Recent publications<br />

• CSFAP - the ChemSage File Administration Program<br />

• New HASP drivers released<br />

• News <strong>from</strong> the F*A*C*T Group, CRCT<br />

Season’s <strong>greetings</strong> <strong>from</strong> <strong>GTT</strong>-<strong>Technologies</strong><br />

We wish all our customers Merry Christmas, Happy Holidays, and a Prosperous New Year 2006.<br />

We would also like to thank you all for the continued strong support you have given us in 2005. This is a clear<br />

indication to us that in the coming year we will have to make all efforts to meet your needs and help you in<br />

your work.<br />

Your <strong>GTT</strong> team<br />

<strong>Summary</strong> <strong>of</strong> the recent workshop activities <strong>of</strong> <strong>GTT</strong> and RCCM in<br />

Japan<br />

We would like to thank the German government for its support <strong>of</strong> <strong>this</strong> year’s activities in Japan. Being <strong>of</strong>ficial<br />

partner in the German Year in Japan 1 has enabled us <strong>this</strong> time not only to have the usual two-day workshop<br />

in Tokyo but also additional meetings in Tokai and in Kobe. Thus it was possible to meet more than seventy<br />

present and prospective new users.<br />

For their contributions to the Tokyo workshop we would like to express our special thanks to the following<br />

guest speakers:<br />

• Dr. P. Koukkari <strong>of</strong> VTT (Finland): The Extended Lagrangian Multiplier Method and its Application in<br />

ChemSheet<br />

1 http://www.doitsu-nen.jp/<br />

1


Issue 49 <strong>GTT</strong>-News December 12, 2005<br />

• Mr. T. Niki <strong>of</strong> Ube <strong>In</strong>dustries: Direct Survey <strong>of</strong> Coal Combustion and Gasification Process, and Estimation<br />

<strong>of</strong> Ash Behavior by FactSage<br />

• Mr. S. Sakurai <strong>of</strong> RCCM: Estimation <strong>of</strong> Slag Viscosity by Neural Network and Expansion (under<br />

Development) by ChemApp<br />

• Mr. K. Tanaka <strong>of</strong> Simulation Technology: The Link between FactSage and OLI<br />

• Dr. M. Yahagi <strong>of</strong> Nikko Materials: Estimation <strong>of</strong> the Efficiency <strong>of</strong> Fuel Cells by FactSage<br />

• Mrs. T. Yamashita <strong>of</strong> JFE Steel: Analysis <strong>of</strong> Steel Material Structures using Thermodynamic Equilibrium<br />

Calculations<br />

They did show with their contributions how broad the application range <strong>of</strong> Computational Thermochemistry<br />

has meanwhile become and how successful it can be applied.<br />

Special thanks are also given to Mr. I. Amamoto, Japan Nuclear Cycle Development <strong>In</strong>stitute, and Dr. R.<br />

Hidaka, Hyogo Ecotown, for their support <strong>of</strong> the meetings in Tokai and Kobe respectively. We would furthermore<br />

like to express our thanks to our colleagues at RCCM 2 , in particular Mr. Yuichi Nagano, who put a great<br />

deal <strong>of</strong> effort into the organisation <strong>of</strong> the workshops. It is planned to have a similar meeting in Tokyo again<br />

next year.<br />

Upcoming events in 2006<br />

Several <strong>of</strong> our users have indicated that early information about the important dates in the new year is desired.<br />

Please note the following:<br />

• <strong>GTT</strong>-<strong>Technologies</strong> Annual Workshop, Herzogenrath, Germany, May 17-19, 2006<br />

We would like to remind everybody that we are always interested in having your contribution (25-30<br />

min) on the agenda <strong>of</strong> our annual <strong>GTT</strong> workshop. So please have a good look at your files and let the<br />

audience at the workshop hear about your applications <strong>of</strong> computational thermochemistry.<br />

• F*A*C*T Workshop and Conference, Montreal, Canada, May 15-17, 2006<br />

• DGM Fortbildungseminar Computerunterstützte Thermodynamik 3 (in German), Maria Laach, Germany,<br />

June 12-14, 2006<br />

Recent publications<br />

<strong>In</strong> the context <strong>of</strong> the second discussion forum on corrosion <strong>of</strong> steam generators in Freiberg, Germany, a<br />

proceedings volume has been edited by the chairman Pr<strong>of</strong>. Dr. M. Born (Dampferzeugerkorrosion, ISBN<br />

3-934409-27-X) in which several contributions show the importance <strong>of</strong> the use <strong>of</strong> Computational Thermochemistry<br />

(represented by FactSage 4 and ChemApp 5 ) for <strong>this</strong> field. More information on the book, including<br />

a table <strong>of</strong> contents, is available on the web site <strong>of</strong> the publisher 6 , where the book can also be ordered.<br />

2 http://www.rccm.co.jp/<br />

3 http://www.dgm.de/fortbildung/?tgnr=776<br />

4 http://www.factsage.com/<br />

5 http://www.gtt-technologies.de/chemapp<br />

6 http://www.saxonia-freiberg.de/<br />

© 2005, <strong>GTT</strong>-<strong>Technologies</strong> 2 info@gtt-technologies.de


Issue 49 <strong>GTT</strong>-News December 12, 2005<br />

Furthermore, as one <strong>of</strong> the results <strong>of</strong> the three year European project OptiCorr on the optimisation <strong>of</strong> inservice<br />

performance <strong>of</strong> boiler steels by modelling high temperature corrosion that ended in February <strong>of</strong> <strong>this</strong><br />

year, the so-called "OptiCorr Guide Book" is now available. It summarises the major experimental results<br />

<strong>of</strong> the project and gives a comprehensive survey <strong>of</strong> the thermochemical modelling <strong>of</strong> corrosive processes<br />

induced by a molten salt layer and by direct contact <strong>of</strong> the boiler material with oxygen containing atmospheres.<br />

Furthermore, a whole series <strong>of</strong> classical one- and two-dimensional phase mappings pertaining to corrosion<br />

systems is given. <strong>In</strong> addition a preliminary model for the formation <strong>of</strong> deposits <strong>from</strong> the flue gas and the<br />

aerosols contained in it is discussed. The "OptiCorr Guide Book" has been published as VTT Research Notes<br />

2309 with the European registration number EUR 21736 EN and ISBN 951-38-6739-0. It can be ordered in<br />

printed form <strong>from</strong> VTT <strong>In</strong>formation Service 7 and is also available online as a PDF file 8 .<br />

CSFAP - the ChemSage File Administration Program<br />

We are busy working on the upcoming Version 1.6 <strong>of</strong> CSFAP which is projected for release by mid February,<br />

2006. The capabilities <strong>of</strong> CSFAP will grow considerably with <strong>this</strong> version since there will be full access to the<br />

thermochemical data contained in a ChemSage-DAT file. Thus a user can prepare his thermochemical datafiles<br />

for example for use with OptiSage by way <strong>of</strong> CSFAP. It can also be used to combine (merge) many small files,<br />

for example on binary subsystems, into larger database-like files on ternary and even higher systems. These<br />

large files can then be uploaded into FactSage for use in Equilib and Phase Diagram calculations.<br />

New HASP drivers released<br />

Aladdin 9 has recently released updated HASP drivers (V4.99). If you are experiencing problems with your<br />

hardware key, in particular under Micros<strong>of</strong>t Windows © XP and 64bit versions <strong>of</strong> Windows, please follow<br />

these steps to update your drivers:<br />

1. Exit FactSage, ChemApp, ChemSheet, or SimuSage<br />

2. Download the latest drivers 10<br />

3. Unpack the HASP4_driver_setup.zip archive<br />

4. <strong>In</strong>stall the new driver by executing hdd32.exe<br />

5. Restart your s<strong>of</strong>tware<br />

News <strong>from</strong> the F*A*C*T Group, CRCT<br />

Our partners at the CRCT 11 have released their latest newsletter. For the latest news <strong>from</strong> the CRCT please<br />

consult the F*A*C*T News web pages.<br />

7<br />

http://www.vtt.fi/inf/pdf/<br />

8<br />

http://www.vtt.fi/inf/pdf/tiedotteet/2005/T2309.pdf<br />

9<br />

http://www.aladdin.com/<br />

10<br />

ftp://ftp.aladdin.com/pub/hasp/new_releases/driver/HASP4_driver_setup.zip<br />

11 http://www.crct.polymtl.ca/<br />

© 2005, <strong>GTT</strong>-<strong>Technologies</strong> 3 info@gtt-technologies.de


Issue 49 <strong>GTT</strong>-News December 12, 2005<br />

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c○2005, <strong>GTT</strong>-<strong>Technologies</strong>, Fax: +49-2407-59661<br />

Kaiserstraße 100, 52134 Herzogenrath, Germany<br />

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© 2005, <strong>GTT</strong>-<strong>Technologies</strong> 4 info@gtt-technologies.de

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