Netsu Sokutei (Calorimetry and Thermal Analysis), 19 ( 3)(1992), 135 (A similar article in German ( Thermochemische Daten und Software zur Optimierung von Verfahren und Werkstoffen) is also available)
Language: English

Thermochemical Data and Software for the Optimization of Processes and Materials

Königsberger E. Schuster E. Gamsjäger H.

Abteilung für Physikalische Chemie, Montanuniversität Leoben, A-8700 Leoben, Austria

God C.

Institut für WÄrmetechnik, Industrieofenbau und Energiewirtschaft, Montanuniversität Leoben, A-8700 Leoben, Austria

Hack K. Kowalski M. Spencer P.J.

Lehrstuhl für Theoretische Hüttenkunde, RWTH Aachen D-52056 Aachen, Germany

Keywords: chemsage salt production flue gas nozzle clogging hard surfacing alloys



Computer assisted thermochemistry is nowadays a tool that can be applied in many fields. Provided the thermochemical data, i.e. the Gibbs energy as function of temperature, and for solution phases also of composition, are known for all possible phases of a chemical system, the Gibbs energy minimization techniques available today allow rapid and reliable calculation of complex equilibrium states. Several applications of the program ChemSage are discussed to give a better understanding of the general scope of computer assisted thermochemistry. The examples cover such different cases as salt production from brines, combustion equilibria with heat balances, the avoidance of clogging problems in continuous casting of steels and the optimization of hard-facing alloy.