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:
Simulteneous 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 heterogenous 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 /
http://evgenii.rudnyi.ru/programming.html
Almost everything can be compiled with gcc 3.3.
Among other things you will find:
Simulteneous 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 heterogenous 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 /