Research Software for Chemical Thermodynamics

rudnyi · science forum addict Joined: 20 May 2005 Posts: 75

I have been working for long time in chemical thermodynamics and I have
programmed a lot to proceed with my scientific projects. Recently, I
have tried to organize my archives and make all my research software
available for others:

http://evgenii.rudnyi.ru/programming.html

Almost everything can be compiled with gcc 3.3.

Among other things you will find:

Simultaneous Treatment of Equilibrium Constants
Computing Equilibrium Composition in Air Plasma
Computing Phase Diagram of Ba-Cu-Y

My biggest programming efforts were tied with the treatment of
heterogeneous experimental results in order to estimate the most
reliable Gibbs energies. The page

http://evgenii.rudnyi.ru/doc/misc/ExperimentalDatasets.html

gives more information about this activity and contains links to
software and papers. Case studies considered are: 1) Vaporization of
KCl, 2) The Ba-Cu System, 3) The Cu-Y System, 4) Thermodynamics of
Calcium Aluminates, 5) Thermodynamics of YBa2Cu3O6+z.

Best wishes,

Evgenii Rudnyi
--
IMTEK: Institute of Microsystem Technology
Simulation of Microsystems
Freiburg University
Georges-Koehler-Allee 103
D-79110 Freiburg i. Br.
Germany
Tel. (+49 761) 203 7383
Fax (+49 761) 203 7437
http://www.imtek.uni-freiburg.de/simulation/
http://Evgenii.Rudnyi.Ru/

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