Homework assignments 4H5301, autumn 2006



Questions and answers can be sent to Bo.Sundman@ensiacet.fr

Assignment 1 is individual, for the others you are welcome to
collaborate.  Names and personal numbers should be listed on the
answers.  Answers can be E-mailed to the address above.

1. You should prepare a setup file and an experimental data file (POP
file) that can generate a correct Parrot work file (PAR file) for the
system you have selected.  The setup file and POP file should work
correctly and it should be possible to calculate most of the
experimental equilibria using the alternate mode.  You should also
discuss your selection of model parameters to be optimized.  There
should be a written report describing the files and referencing the
relevent papers including extracts of the data and copies of important
figures like the phase diagram and thermochemical data. 

2. In the paper by Kongoli et al. a quasichemical model is proposed.
What is the physical reason to use a non-ideal entropy expression?

3. In the paper by Mohri et al. a an implementation of the CVM model
for ordering on the fcc lattice is described.  Compare this with
the model of Kongoli et al. and discuss the differences.

4. The associated model can be considered as a simplification of the
quasichemical model, discuss the reasons for this and what advantages
eachmodel has.

5. Discuss the differences between the the ionic liquid model proposed
by Hillert et al. and the quasichemical model and the associated
model.