L. Kaufmann and H. Bernstein, “Computer calculation of phase diagrams”, Academic Press, New
York 1970 THERMOCALC software: http://www.Thermocalc.se/index.html For the Lukas programmes BINGSS and TERGSS for phase diagram optimization, see: H.L. Lukas, S.G. Fries, “Demonstration of the use of “BINGSS” with the Mg-Zn as Example”, J.
Phase Equil. 13 (1992) 532. For the PanDat software by the A. Chang’s group see: http://www.computherm.com/pandat.html
For the MTDATA software http://www.npl.co.uk/mtdata/mtrefs.html
“MTDATA-Thermodynamic and Phase Equilibrium Software from the National Physical Laboratory” R.H.Davies, A.T.Dinsdale, G.A.Gisby, J.A.J. Robinson, S.M.Martin, CALPHAD 26 (2002) pp.229-271
6.4 Application of thermodynamics to the modeling and prediction of high temperature chemical processes
Aim: to present selected examples of high temperature processes predicted by thermodynamic modelling
Topic description and teaching suggestions : Once the basic concepts and methods of thermodynamics have been gone through and their practical application in databases and graphical representations assimilated by the students, a few examples of application to specific high temperature processes (some dealt with as optional additional topics in the last part of the course) can be tackled. Appropriate examples can include the following: prediction of high temperature corrosion of intermetallic or ceramic materials under hydrogen-oxygen-water environments; carbothermic reduction of silicon dioxide; evaluation of the distribution of components between phases in pyrometallurgical processes; equilibrium approach to dynamic processes as in the use of PVD and CVD for materials synthesis. The importance of a critical analysis and selection of thermochemical databases should be underlined (see above section 6.1). The limitation of using a purely thermochemical description of dynamic processes can be shown, and the necessity to